# This input file simualates the harmonical bend, # harmonical stretch and torsional interactions in each benzene molecule, # and the 12-6 Lennard-Jones interactions between the carbon atoms of the different molecules. # Define some colors: color id=0 rgb=[0.0,1.0,1.0] #!CB name="Aqua" color id=1 rgb=[1.0,0.0,0.0] #!CB name="Red" color id=2 rgb=[1.0,1.0,1.0] #!CB name="White" # Create the box: box periodic=[25.7008092496,25.7008092496,25.7008092496] # Construct the particles and define the intramolecular interactions: # Generating a model of 8 benzene molecules with density equal to 0.8765 kg/l ... # Molecule 0 translate x=-5.18271408365 y=-5.18271408365 z=-5.18271408365 rotate deg=196 axis=[.2580,.1320,-.3500] # Carbon particle id=0 c=0 m=21894.71 q=-0.115 r=1.46 x=[4.5,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="0 C1" particle id=1 x=[2.25,-4.0,0.0] p=[0.0,0.0,0.0] #!CB name="0 C2" particle id=2 x=[-2.25,-4.0,0.0] p=[0.0,0.0,0.0] #!CB name="0 C3" particle id=3 x=[-4.5,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="0 C4" particle id=4 x=[-2.25,4.0,0.0] p=[0.0,0.0,0.0] #!CB name="0 C5" particle id=5 x=[2.25,4.0,0.0] p=[0.0,0.0,0.0] #!CB name="0 C6" # Hydrogen particle id=6 c=2 m=1827.81 q=0.115 r=0.701 x=[9.0,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="0 H1" particle id=7 x=[4.5,-8.0,0.0] p=[0.0,0.0,0.0] #!CB name="0 H2" particle id=8 x=[-4.5,-8.0,0.0] p=[0.0,0.0,0.0] #!CB name="0 H3" particle id=9 x=[-9.0,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="0 H4" particle id=10 x=[-4.5,8.0,0.0] p=[0.0,0.0,0.0] #!CB name="0 H5" particle id=11 x=[4.5,8.0,0.0] p=[0.0,0.0,0.0] #!CB name="0 H6" # Molecule 1 translate x=-5.18271408365 y=-5.18271408365 z=5.18271408365 rotate deg=209 axis=[.8380,.3110,.0130] # Carbon particle id=100 c=0 m=21894.71 q=-0.115 r=1.46 x=[4.5,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="1 C1" particle id=101 x=[2.25,-4.0,0.0] p=[0.0,0.0,0.0] #!CB name="1 C2" particle id=102 x=[-2.25,-4.0,0.0] p=[0.0,0.0,0.0] #!CB name="1 C3" particle id=103 x=[-4.5,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="1 C4" particle id=104 x=[-2.25,4.0,0.0] p=[0.0,0.0,0.0] #!CB name="1 C5" particle id=105 x=[2.25,4.0,0.0] p=[0.0,0.0,0.0] #!CB name="1 C6" # Hydrogen particle id=106 c=2 m=1827.81 q=0.115 r=0.701 x=[9.0,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="1 H1" particle id=107 x=[4.5,-8.0,0.0] p=[0.0,0.0,0.0] #!CB name="1 H2" particle id=108 x=[-4.5,-8.0,0.0] p=[0.0,0.0,0.0] #!CB name="1 H3" particle id=109 x=[-9.0,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="1 H4" particle id=110 x=[-4.5,8.0,0.0] p=[0.0,0.0,0.0] #!CB name="1 H5" particle id=111 x=[4.5,8.0,0.0] p=[0.0,0.0,0.0] #!CB name="1 H6" # Molecule 2 translate x=-5.18271408365 y=5.18271408365 z=-5.18271408365 rotate deg=160 axis=[-.0650,-.5650,-.4680] # Carbon particle id=200 c=0 m=21894.71 q=-0.115 r=1.46 x=[4.5,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="2 C1" particle id=201 x=[2.25,-4.0,0.0] p=[0.0,0.0,0.0] #!CB name="2 C2" particle id=202 x=[-2.25,-4.0,0.0] p=[0.0,0.0,0.0] #!CB name="2 C3" particle id=203 x=[-4.5,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="2 C4" particle id=204 x=[-2.25,4.0,0.0] p=[0.0,0.0,0.0] #!CB name="2 C5" particle id=205 x=[2.25,4.0,0.0] p=[0.0,0.0,0.0] #!CB name="2 C6" # Hydrogen particle id=206 c=2 m=1827.81 q=0.115 r=0.701 x=[9.0,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="2 H1" particle id=207 x=[4.5,-8.0,0.0] p=[0.0,0.0,0.0] #!CB name="2 H2" particle id=208 x=[-4.5,-8.0,0.0] p=[0.0,0.0,0.0] #!CB name="2 H3" particle id=209 x=[-9.0,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="2 H4" particle id=210 x=[-4.5,8.0,0.0] p=[0.0,0.0,0.0] #!CB name="2 H5" particle id=211 x=[4.5,8.0,0.0] p=[0.0,0.0,0.0] #!CB name="2 H6" # Molecule 3 translate x=-5.18271408365 y=5.18271408365 z=5.18271408365 rotate deg=14 axis=[-.7040,-.9120,.8060] # Carbon particle id=300 c=0 m=21894.71 q=-0.115 r=1.46 x=[4.5,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="3 C1" particle id=301 x=[2.25,-4.0,0.0] p=[0.0,0.0,0.0] #!CB name="3 C2" particle id=302 x=[-2.25,-4.0,0.0] p=[0.0,0.0,0.0] #!CB name="3 C3" particle id=303 x=[-4.5,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="3 C4" particle id=304 x=[-2.25,4.0,0.0] p=[0.0,0.0,0.0] #!CB name="3 C5" particle id=305 x=[2.25,4.0,0.0] p=[0.0,0.0,0.0] #!CB name="3 C6" # Hydrogen particle id=306 c=2 m=1827.81 q=0.115 r=0.701 x=[9.0,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="3 H1" particle id=307 x=[4.5,-8.0,0.0] p=[0.0,0.0,0.0] #!CB name="3 H2" particle id=308 x=[-4.5,-8.0,0.0] p=[0.0,0.0,0.0] #!CB name="3 H3" particle id=309 x=[-9.0,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="3 H4" particle id=310 x=[-4.5,8.0,0.0] p=[0.0,0.0,0.0] #!CB name="3 H5" particle id=311 x=[4.5,8.0,0.0] p=[0.0,0.0,0.0] #!CB name="3 H6" # Molecule 4 translate x=5.18271408365 y=-5.18271408365 z=-5.18271408365 rotate deg=136 axis=[.3430,.4030,-.1210] # Carbon particle id=400 c=0 m=21894.71 q=-0.115 r=1.46 x=[4.5,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="4 C1" particle id=401 x=[2.25,-4.0,0.0] p=[0.0,0.0,0.0] #!CB name="4 C2" particle id=402 x=[-2.25,-4.0,0.0] p=[0.0,0.0,0.0] #!CB name="4 C3" particle id=403 x=[-4.5,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="4 C4" particle id=404 x=[-2.25,4.0,0.0] p=[0.0,0.0,0.0] #!CB name="4 C5" particle id=405 x=[2.25,4.0,0.0] p=[0.0,0.0,0.0] #!CB name="4 C6" # Hydrogen particle id=406 c=2 m=1827.81 q=0.115 r=0.701 x=[9.0,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="4 H1" particle id=407 x=[4.5,-8.0,0.0] p=[0.0,0.0,0.0] #!CB name="4 H2" particle id=408 x=[-4.5,-8.0,0.0] p=[0.0,0.0,0.0] #!CB name="4 H3" particle id=409 x=[-9.0,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="4 H4" particle id=410 x=[-4.5,8.0,0.0] p=[0.0,0.0,0.0] #!CB name="4 H5" particle id=411 x=[4.5,8.0,0.0] p=[0.0,0.0,0.0] #!CB name="4 H6" # Molecule 5 translate x=5.18271408365 y=-5.18271408365 z=5.18271408365 rotate deg=253 axis=[.3310,-.4400,-.4210] # Carbon particle id=500 c=0 m=21894.71 q=-0.115 r=1.46 x=[4.5,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="5 C1" particle id=501 x=[2.25,-4.0,0.0] p=[0.0,0.0,0.0] #!CB name="5 C2" particle id=502 x=[-2.25,-4.0,0.0] p=[0.0,0.0,0.0] #!CB name="5 C3" particle id=503 x=[-4.5,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="5 C4" particle id=504 x=[-2.25,4.0,0.0] p=[0.0,0.0,0.0] #!CB name="5 C5" particle id=505 x=[2.25,4.0,0.0] p=[0.0,0.0,0.0] #!CB name="5 C6" # Hydrogen particle id=506 c=2 m=1827.81 q=0.115 r=0.701 x=[9.0,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="5 H1" particle id=507 x=[4.5,-8.0,0.0] p=[0.0,0.0,0.0] #!CB name="5 H2" particle id=508 x=[-4.5,-8.0,0.0] p=[0.0,0.0,0.0] #!CB name="5 H3" particle id=509 x=[-9.0,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="5 H4" particle id=510 x=[-4.5,8.0,0.0] p=[0.0,0.0,0.0] #!CB name="5 H5" particle id=511 x=[4.5,8.0,0.0] p=[0.0,0.0,0.0] #!CB name="5 H6" # Molecule 6 translate x=5.18271408365 y=5.18271408365 z=-5.18271408365 rotate deg=227 axis=[-.9600,.9190,-.9240] # Carbon particle id=600 c=0 m=21894.71 q=-0.115 r=1.46 x=[4.5,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="6 C1" particle id=601 x=[2.25,-4.0,0.0] p=[0.0,0.0,0.0] #!CB name="6 C2" particle id=602 x=[-2.25,-4.0,0.0] p=[0.0,0.0,0.0] #!CB name="6 C3" particle id=603 x=[-4.5,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="6 C4" particle id=604 x=[-2.25,4.0,0.0] p=[0.0,0.0,0.0] #!CB name="6 C5" particle id=605 x=[2.25,4.0,0.0] p=[0.0,0.0,0.0] #!CB name="6 C6" # Hydrogen particle id=606 c=2 m=1827.81 q=0.115 r=0.701 x=[9.0,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="6 H1" particle id=607 x=[4.5,-8.0,0.0] p=[0.0,0.0,0.0] #!CB name="6 H2" particle id=608 x=[-4.5,-8.0,0.0] p=[0.0,0.0,0.0] #!CB name="6 H3" particle id=609 x=[-9.0,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="6 H4" particle id=610 x=[-4.5,8.0,0.0] p=[0.0,0.0,0.0] #!CB name="6 H5" particle id=611 x=[4.5,8.0,0.0] p=[0.0,0.0,0.0] #!CB name="6 H6" # Molecule 7 translate x=5.18271408365 y=5.18271408365 z=5.18271408365 rotate deg=240 axis=[-.8920,-.8090,-.1210] # Carbon particle id=700 c=0 m=21894.71 q=-0.115 r=1.46 x=[4.5,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="7 C1" particle id=701 x=[2.25,-4.0,0.0] p=[0.0,0.0,0.0] #!CB name="7 C2" particle id=702 x=[-2.25,-4.0,0.0] p=[0.0,0.0,0.0] #!CB name="7 C3" particle id=703 x=[-4.5,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="7 C4" particle id=704 x=[-2.25,4.0,0.0] p=[0.0,0.0,0.0] #!CB name="7 C5" particle id=705 x=[2.25,4.0,0.0] p=[0.0,0.0,0.0] #!CB name="7 C6" # Hydrogen particle id=706 c=2 m=1827.81 q=0.115 r=0.701 x=[9.0,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="7 H1" particle id=707 x=[4.5,-8.0,0.0] p=[0.0,0.0,0.0] #!CB name="7 H2" particle id=708 x=[-4.5,-8.0,0.0] p=[0.0,0.0,0.0] #!CB name="7 H3" particle id=709 x=[-9.0,0.0,0.0] p=[0.0,0.0,0.0] #!CB name="7 H4" particle id=710 x=[-4.5,8.0,0.0] p=[0.0,0.0,0.0] #!CB name="7 H5" particle id=711 x=[4.5,8.0,0.0] p=[0.0,0.0,0.0] #!CB name="7 H6" # Adding 8 water molecules per benzene, 64 in total. # They are placed in a model with a density equal to 0.9982 kg/l. # Molecule 0 0 translate x=-8.80546336688 y=-8.80546336688 z=-8.80546336688 rotate deg=61 axis=[.0820,.5580,-.9600] particle id=15 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="0 0 O1 " particle id=16 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="0 0 H1" particle id=17 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="0 0 H2" # Molecule 0 1 translate x=-8.80546336688 y=-8.80546336688 z=-2.93515445563 rotate deg=281 axis=[.0540,.1080,.6760] particle id=18 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="0 1 O1 " particle id=19 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="0 1 H1" particle id=20 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="0 1 H2" # Molecule 0 2 translate x=-8.80546336688 y=-8.80546336688 z=2.93515445563 rotate deg=310 axis=[.9270,-.2330,-.0100] particle id=21 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="0 2 O1 " particle id=22 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="0 2 H1" particle id=23 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="0 2 H2" # Molecule 0 3 translate x=-8.80546336688 y=-8.80546336688 z=8.80546336688 rotate deg=222 axis=[.1340,-.2290,-.0020] particle id=24 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="0 3 O1 " particle id=25 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="0 3 H1" particle id=26 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="0 3 H2" # Molecule 0 4 translate x=-8.80546336688 y=-2.93515445563 z=-8.80546336688 rotate deg=150 axis=[-.3290,-.4800,.6730] particle id=27 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="0 4 O1 " particle id=28 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="0 4 H1" particle id=29 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="0 4 H2" # Molecule 0 5 translate x=-8.80546336688 y=-2.93515445563 z=-2.93515445563 rotate deg=221 axis=[.8490,.1920,-.1890] particle id=30 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="0 5 O1 " particle id=31 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="0 5 H1" particle id=32 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="0 5 H2" # Molecule 0 6 translate x=-8.80546336688 y=-2.93515445563 z=2.93515445563 rotate deg=35 axis=[.9710,-.5450,-.3700] particle id=33 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="0 6 O1 " particle id=34 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="0 6 H1" particle id=35 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="0 6 H2" # Molecule 0 7 translate x=-8.80546336688 y=-2.93515445563 z=8.80546336688 rotate deg=64 axis=[-.5070,.3390,-.4650] particle id=36 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="0 7 O1 " particle id=37 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="0 7 H1" particle id=38 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="0 7 H2" # Molecule 1 0 translate x=-8.80546336688 y=2.93515445563 z=-8.80546336688 rotate deg=186 axis=[.8510,.8280,.2150] particle id=115 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="1 0 O1 " particle id=116 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="1 0 H1" particle id=117 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="1 0 H2" # Molecule 1 1 translate x=-8.80546336688 y=2.93515445563 z=-2.93515445563 rotate deg=295 axis=[.3500,-.9130,.9300] particle id=118 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="1 1 O1 " particle id=119 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="1 1 H1" particle id=120 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="1 1 H2" # Molecule 1 2 translate x=-8.80546336688 y=2.93515445563 z=2.93515445563 rotate deg=130 axis=[.5190,-.9390,.2790] particle id=121 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="1 2 O1 " particle id=122 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="1 2 H1" particle id=123 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="1 2 H2" # Molecule 1 3 translate x=-8.80546336688 y=2.93515445563 z=8.80546336688 rotate deg=133 axis=[-.9460,.2590,.4940] particle id=124 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="1 3 O1 " particle id=125 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="1 3 H1" particle id=126 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="1 3 H2" # Molecule 1 4 translate x=-8.80546336688 y=8.80546336688 z=-8.80546336688 rotate deg=271 axis=[-.8450,-.5490,-.1300] particle id=127 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="1 4 O1 " particle id=128 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="1 4 H1" particle id=129 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="1 4 H2" # Molecule 1 5 translate x=-8.80546336688 y=8.80546336688 z=-2.93515445563 rotate deg=112 axis=[-.9270,.6120,.2910] particle id=130 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="1 5 O1 " particle id=131 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="1 5 H1" particle id=132 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="1 5 H2" # Molecule 1 6 translate x=-8.80546336688 y=8.80546336688 z=2.93515445563 rotate deg=129 axis=[-.3880,-.5200,.5280] particle id=133 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="1 6 O1 " particle id=134 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="1 6 H1" particle id=135 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="1 6 H2" # Molecule 1 7 translate x=-8.80546336688 y=8.80546336688 z=8.80546336688 rotate deg=283 axis=[.2670,-.4840,-.7240] particle id=136 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="1 7 O1 " particle id=137 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="1 7 H1" particle id=138 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="1 7 H2" # Molecule 2 0 translate x=-2.93515445563 y=-8.80546336688 z=-8.80546336688 rotate deg=222 axis=[.2940,.0840,.0980] particle id=215 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="2 0 O1 " particle id=216 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="2 0 H1" particle id=217 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="2 0 H2" # Molecule 2 1 translate x=-2.93515445563 y=-8.80546336688 z=-2.93515445563 rotate deg=19 axis=[-.6560,.8520,.2250] particle id=218 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="2 1 O1 " particle id=219 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="2 1 H1" particle id=220 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="2 1 H2" # Molecule 2 2 translate x=-2.93515445563 y=-8.80546336688 z=2.93515445563 rotate deg=163 axis=[-.1430,.1380,-.8030] particle id=221 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="2 2 O1 " particle id=222 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="2 2 H1" particle id=223 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="2 2 H2" # Molecule 2 3 translate x=-2.93515445563 y=-8.80546336688 z=8.80546336688 rotate deg=119 axis=[.6530,.0480,-.8090] particle id=224 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="2 3 O1 " particle id=225 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="2 3 H1" particle id=226 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="2 3 H2" # Molecule 2 4 translate x=-2.93515445563 y=-2.93515445563 z=-8.80546336688 rotate deg=7 axis=[-.7800,-.3450,-.3620] particle id=227 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="2 4 O1 " particle id=228 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="2 4 H1" particle id=229 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="2 4 H2" # Molecule 2 5 translate x=-2.93515445563 y=-2.93515445563 z=-2.93515445563 rotate deg=241 axis=[-.8390,.7310,.1180] particle id=230 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="2 5 O1 " particle id=231 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="2 5 H1" particle id=232 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="2 5 H2" # Molecule 2 6 translate x=-2.93515445563 y=-2.93515445563 z=2.93515445563 rotate deg=219 axis=[-.3460,.1940,-.4840] particle id=233 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="2 6 O1 " particle id=234 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="2 6 H1" particle id=235 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="2 6 H2" # Molecule 2 7 translate x=-2.93515445563 y=-2.93515445563 z=8.80546336688 rotate deg=335 axis=[-.2830,.3600,-.3510] particle id=236 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="2 7 O1 " particle id=237 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="2 7 H1" particle id=238 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="2 7 H2" # Molecule 3 0 translate x=-2.93515445563 y=2.93515445563 z=-8.80546336688 rotate deg=345 axis=[-.6870,-.1670,.2670] particle id=315 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="3 0 O1 " particle id=316 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="3 0 H1" particle id=317 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="3 0 H2" # Molecule 3 1 translate x=-2.93515445563 y=2.93515445563 z=-2.93515445563 rotate deg=78 axis=[.9650,-.5800,-.3930] particle id=318 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="3 1 O1 " particle id=319 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="3 1 H1" particle id=320 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="3 1 H2" # Molecule 3 2 translate x=-2.93515445563 y=2.93515445563 z=2.93515445563 rotate deg=198 axis=[-.7970,-.1730,.1180] particle id=321 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="3 2 O1 " particle id=322 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="3 2 H1" particle id=323 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="3 2 H2" # Molecule 3 3 translate x=-2.93515445563 y=2.93515445563 z=8.80546336688 rotate deg=309 axis=[.4840,-.3460,.2850] particle id=324 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="3 3 O1 " particle id=325 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="3 3 H1" particle id=326 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="3 3 H2" # Molecule 3 4 translate x=-2.93515445563 y=8.80546336688 z=-8.80546336688 rotate deg=64 axis=[-.6630,-.1670,-.2400] particle id=327 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="3 4 O1 " particle id=328 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="3 4 H1" particle id=329 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="3 4 H2" # Molecule 3 5 translate x=-2.93515445563 y=8.80546336688 z=-2.93515445563 rotate deg=266 axis=[.6510,.3830,-.0480] particle id=330 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="3 5 O1 " particle id=331 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="3 5 H1" particle id=332 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="3 5 H2" # Molecule 3 6 translate x=-2.93515445563 y=8.80546336688 z=2.93515445563 rotate deg=248 axis=[.7250,-.7800,-.8670] particle id=333 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="3 6 O1 " particle id=334 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="3 6 H1" particle id=335 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="3 6 H2" # Molecule 3 7 translate x=-2.93515445563 y=8.80546336688 z=8.80546336688 rotate deg=271 axis=[.4210,-.3120,.2130] particle id=336 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="3 7 O1 " particle id=337 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="3 7 H1" particle id=338 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="3 7 H2" # Molecule 4 0 translate x=2.93515445563 y=-8.80546336688 z=-8.80546336688 rotate deg=65 axis=[-.3540,-.7480,-.6090] particle id=415 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="4 0 O1 " particle id=416 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="4 0 H1" particle id=417 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="4 0 H2" # Molecule 4 1 translate x=2.93515445563 y=-8.80546336688 z=-2.93515445563 rotate deg=7 axis=[.2510,.3220,.3430] particle id=418 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="4 1 O1 " particle id=419 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="4 1 H1" particle id=420 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="4 1 H2" # Molecule 4 2 translate x=2.93515445563 y=-8.80546336688 z=2.93515445563 rotate deg=331 axis=[.7460,-.1220,.4230] particle id=421 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="4 2 O1 " particle id=422 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="4 2 H1" particle id=423 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="4 2 H2" # Molecule 4 3 translate x=2.93515445563 y=-8.80546336688 z=8.80546336688 rotate deg=215 axis=[.0050,.9850,-.5570] particle id=424 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="4 3 O1 " particle id=425 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="4 3 H1" particle id=426 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="4 3 H2" # Molecule 4 4 translate x=2.93515445563 y=-2.93515445563 z=-8.80546336688 rotate deg=165 axis=[.2380,.3560,-.1450] particle id=427 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="4 4 O1 " particle id=428 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="4 4 H1" particle id=429 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="4 4 H2" # Molecule 4 5 translate x=2.93515445563 y=-2.93515445563 z=-2.93515445563 rotate deg=81 axis=[-.4380,.7880,.1150] particle id=430 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="4 5 O1 " particle id=431 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="4 5 H1" particle id=432 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="4 5 H2" # Molecule 4 6 translate x=2.93515445563 y=-2.93515445563 z=2.93515445563 rotate deg=45 axis=[.1410,.3730,.2290] particle id=433 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="4 6 O1 " particle id=434 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="4 6 H1" particle id=435 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="4 6 H2" # Molecule 4 7 translate x=2.93515445563 y=-2.93515445563 z=8.80546336688 rotate deg=222 axis=[.5500,-.7330,.8930] particle id=436 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="4 7 O1 " particle id=437 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="4 7 H1" particle id=438 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="4 7 H2" # Molecule 5 0 translate x=2.93515445563 y=2.93515445563 z=-8.80546336688 rotate deg=129 axis=[-.5190,-.0740,-.6950] particle id=515 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="5 0 O1 " particle id=516 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="5 0 H1" particle id=517 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="5 0 H2" # Molecule 5 1 translate x=2.93515445563 y=2.93515445563 z=-2.93515445563 rotate deg=141 axis=[.2420,-.2810,.9090] particle id=518 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="5 1 O1 " particle id=519 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="5 1 H1" particle id=520 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="5 1 H2" # Molecule 5 2 translate x=2.93515445563 y=2.93515445563 z=2.93515445563 rotate deg=279 axis=[-.6950,.9390,.6730] particle id=521 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="5 2 O1 " particle id=522 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="5 2 H1" particle id=523 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="5 2 H2" # Molecule 5 3 translate x=2.93515445563 y=2.93515445563 z=8.80546336688 rotate deg=2 axis=[.4150,.6990,-.9310] particle id=524 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="5 3 O1 " particle id=525 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="5 3 H1" particle id=526 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="5 3 H2" # Molecule 5 4 translate x=2.93515445563 y=8.80546336688 z=-8.80546336688 rotate deg=70 axis=[.9240,-.5350,.1220] particle id=527 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="5 4 O1 " particle id=528 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="5 4 H1" particle id=529 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="5 4 H2" # Molecule 5 5 translate x=2.93515445563 y=8.80546336688 z=-2.93515445563 rotate deg=297 axis=[.6860,-.5830,-.3830] particle id=530 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="5 5 O1 " particle id=531 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="5 5 H1" particle id=532 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="5 5 H2" # Molecule 5 6 translate x=2.93515445563 y=8.80546336688 z=2.93515445563 rotate deg=119 axis=[.9250,-.7170,-.4580] particle id=533 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="5 6 O1 " particle id=534 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="5 6 H1" particle id=535 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="5 6 H2" # Molecule 5 7 translate x=2.93515445563 y=8.80546336688 z=8.80546336688 rotate deg=244 axis=[-.0750,-.5680,-.8010] particle id=536 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="5 7 O1 " particle id=537 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="5 7 H1" particle id=538 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="5 7 H2" # Molecule 6 0 translate x=8.80546336688 y=-8.80546336688 z=-8.80546336688 rotate deg=287 axis=[-.8570,-.0060,.7500] particle id=615 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="6 0 O1 " particle id=616 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="6 0 H1" particle id=617 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="6 0 H2" # Molecule 6 1 translate x=8.80546336688 y=-8.80546336688 z=-2.93515445563 rotate deg=2 axis=[.3210,.5890,-.9310] particle id=618 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="6 1 O1 " particle id=619 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="6 1 H1" particle id=620 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="6 1 H2" # Molecule 6 2 translate x=8.80546336688 y=-8.80546336688 z=2.93515445563 rotate deg=291 axis=[.5650,-.8160,.4930] particle id=621 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="6 2 O1 " particle id=622 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="6 2 H1" particle id=623 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="6 2 H2" # Molecule 6 3 translate x=8.80546336688 y=-8.80546336688 z=8.80546336688 rotate deg=347 axis=[-.9020,.6290,-.4450] particle id=624 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="6 3 O1 " particle id=625 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="6 3 H1" particle id=626 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="6 3 H2" # Molecule 6 4 translate x=8.80546336688 y=-2.93515445563 z=-8.80546336688 rotate deg=49 axis=[-.0270,.1100,-.8790] particle id=627 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="6 4 O1 " particle id=628 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="6 4 H1" particle id=629 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="6 4 H2" # Molecule 6 5 translate x=8.80546336688 y=-2.93515445563 z=-2.93515445563 rotate deg=42 axis=[-.9760,-.1800,-.2200] particle id=630 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="6 5 O1 " particle id=631 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="6 5 H1" particle id=632 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="6 5 H2" # Molecule 6 6 translate x=8.80546336688 y=-2.93515445563 z=2.93515445563 rotate deg=132 axis=[-.8940,-.8690,-.8780] particle id=633 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="6 6 O1 " particle id=634 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="6 6 H1" particle id=635 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="6 6 H2" # Molecule 6 7 translate x=8.80546336688 y=-2.93515445563 z=8.80546336688 rotate deg=177 axis=[-.9440,.7610,.6270] particle id=636 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="6 7 O1 " particle id=637 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="6 7 H1" particle id=638 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="6 7 H2" # Molecule 7 0 translate x=8.80546336688 y=2.93515445563 z=-8.80546336688 rotate deg=56 axis=[-.8070,-.3230,-.1330] particle id=715 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="7 0 O1 " particle id=716 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="7 0 H1" particle id=717 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="7 0 H2" # Molecule 7 1 translate x=8.80546336688 y=2.93515445563 z=-2.93515445563 rotate deg=13 axis=[.7470,.6300,.6910] particle id=718 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="7 1 O1 " particle id=719 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="7 1 H1" particle id=720 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="7 1 H2" # Molecule 7 2 translate x=8.80546336688 y=2.93515445563 z=2.93515445563 rotate deg=273 axis=[-.6390,.1270,.8920] particle id=721 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="7 2 O1 " particle id=722 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="7 2 H1" particle id=723 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="7 2 H2" # Molecule 7 3 translate x=8.80546336688 y=2.93515445563 z=8.80546336688 rotate deg=56 axis=[.0370,.6700,.6290] particle id=724 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="7 3 O1 " particle id=725 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="7 3 H1" particle id=726 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="7 3 H2" # Molecule 7 4 translate x=8.80546336688 y=8.80546336688 z=-8.80546336688 rotate deg=197 axis=[-.2910,-.2870,.4110] particle id=727 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="7 4 O1 " particle id=728 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="7 4 H1" particle id=729 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="7 4 H2" # Molecule 7 5 translate x=8.80546336688 y=8.80546336688 z=-2.93515445563 rotate deg=211 axis=[-.4250,-.1820,.8080] particle id=730 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="7 5 O1 " particle id=731 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="7 5 H1" particle id=732 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="7 5 H2" # Molecule 7 6 translate x=8.80546336688 y=8.80546336688 z=2.93515445563 rotate deg=309 axis=[.7360,.2300,-.2530] particle id=733 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="7 6 O1 " particle id=734 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="7 6 H1" particle id=735 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="7 6 H2" # Molecule 7 7 translate x=8.80546336688 y=8.80546336688 z=8.80546336688 rotate deg=158 axis=[-.8870,.3530,-.4240] particle id=736 c=1 m=29165.1 q=-0.8476 r=1.38 x=[0.0,1.5,1.0] p=[0.0,0.0,0.0] #!CB name="7 7 O1 " particle id=737 c=2 m=1827.81 q=0.4238 r=0.701 x=[0.0,0.75,3.75] p=[0.0,0.0,0.0] #!CB name="7 7 H1" particle id=738 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="7 7 H2" # Creating the molecules by defining the intramolecular interactions. # Benzene 0 Internal interactions: interaction harmonic f=0.3505 r0=2.06 { 0 6 } #!CB name="HS 0 C1H1" interaction harmonic f=0.3505 r0=2.06 { 1 7 } #!CB name="HS 0 C2H2" interaction harmonic f=0.3505 r0=2.06 { 2 8 } #!CB name="HS 0 C3H3" interaction harmonic f=0.3505 r0=2.06 { 3 9 } #!CB name="HS 0 C4H4" interaction harmonic f=0.3505 r0=2.06 { 4 10 } #!CB name="HS 0 C5H5" interaction harmonic f=0.3505 r0=2.06 { 5 11 } #!CB name="HS 0 C6H6" interaction harmonic f=0.4792 r0=2.642 { 0 1 } #!CB name="HS 0 C1C2" interaction harmonic f=0.4792 r0=2.642 { 1 2 } #!CB name="HS 0 C1C2" interaction harmonic f=0.4792 r0=2.642 { 2 3 } #!CB name="HS 0 C1C2" interaction harmonic f=0.4792 r0=2.642 { 3 4 } #!CB name="HS 0 C1C2" interaction harmonic f=0.4792 r0=2.642 { 4 5 } #!CB name="HS 0 C1C2" interaction harmonic f=0.4792 r0=2.642 { 5 0 } #!CB name="HS 0 C1C2" interaction bending f=0.285 rad=2.094395102 { 1 0 6 } #!CB name="HB 0 C2CH1" interaction bending f=0.285 rad=2.094395102 { 2 1 7 } #!CB name="HB 0 C3CH2" interaction bending f=0.285 rad=2.094395102 { 3 2 8 } #!CB name="HB 0 C4CH3" interaction bending f=0.285 rad=2.094395102 { 4 3 9 } #!CB name="HB 0 C5CH4" interaction bending f=0.285 rad=2.094395102 { 5 4 10 } #!CB name="HB 0 C6CH5" interaction bending f=0.285 rad=2.094395102 { 0 5 11 } #!CB name="HB 0 C1CH6" interaction bending f=0.285 rad=2.094395102 { 5 0 6 } #!CB name="HB 0 C6CH1" interaction bending f=0.285 rad=2.094395102 { 4 5 11 } #!CB name="HB 0 C5CH6" interaction bending f=0.285 rad=2.094395102 { 3 4 10 } #!CB name="HB 0 C4CH5" interaction bending f=0.285 rad=2.094395102 { 2 3 9 } #!CB name="HB 0 C3CH4" interaction bending f=0.285 rad=2.094395102 { 1 2 8 } #!CB name="HB 0 C2CH3" interaction bending f=0.285 rad=2.094395102 { 0 1 7 } #!CB name="HB 0 C1CH2" interaction bending f=1.173 rad=2.094395102 { 0 1 2 } #!CB name="HB 0 C1-C3" interaction bending f=1.173 rad=2.094395102 { 1 2 3 } #!CB name="HB 0 C2-C4" interaction bending f=1.173 rad=2.094395102 { 2 3 4 } #!CB name="HB 0 C3-C5" interaction bending f=1.173 rad=2.094395102 { 3 4 5 } #!CB name="HB 0 C4-C6" interaction bending f=1.173 rad=2.094395102 { 4 5 0 } #!CB name="HB 0 C5-C1" interaction bending f=1.173 rad=2.094395102 { 5 0 1 } #!CB name="HB 0 C6-C2" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 0 1 2 8 } #!CB name="PT 0 C123H3" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 1 2 3 9 } #!CB name="PT 0 C234H4" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 2 3 4 10 } #!CB name="PT 0 C345H5" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 3 4 5 11 } #!CB name="PT 0 C456H6" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 4 5 0 6 } #!CB name="PT 0 C561H1" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 5 0 1 7 } #!CB name="PT 0 C612H2" # Benzene 1 Internal interactions: interaction harmonic f=0.3505 r0=2.06 { 100 106 } #!CB name="HS 1 C1H1" interaction harmonic f=0.3505 r0=2.06 { 101 107 } #!CB name="HS 1 C2H2" interaction harmonic f=0.3505 r0=2.06 { 102 108 } #!CB name="HS 1 C3H3" interaction harmonic f=0.3505 r0=2.06 { 103 109 } #!CB name="HS 1 C4H4" interaction harmonic f=0.3505 r0=2.06 { 104 110 } #!CB name="HS 1 C5H5" interaction harmonic f=0.3505 r0=2.06 { 105 111 } #!CB name="HS 1 C6H6" interaction harmonic f=0.4792 r0=2.642 { 100 101 } #!CB name="HS 1 C1C2" interaction harmonic f=0.4792 r0=2.642 { 101 102 } #!CB name="HS 1 C1C2" interaction harmonic f=0.4792 r0=2.642 { 102 103 } #!CB name="HS 1 C1C2" interaction harmonic f=0.4792 r0=2.642 { 103 104 } #!CB name="HS 1 C1C2" interaction harmonic f=0.4792 r0=2.642 { 104 105 } #!CB name="HS 1 C1C2" interaction harmonic f=0.4792 r0=2.642 { 105 100 } #!CB name="HS 1 C1C2" interaction bending f=0.285 rad=2.094395102 { 101 100 106 } #!CB name="HB 1 C2CH1" interaction bending f=0.285 rad=2.094395102 { 102 101 107 } #!CB name="HB 1 C3CH2" interaction bending f=0.285 rad=2.094395102 { 103 102 108 } #!CB name="HB 1 C4CH3" interaction bending f=0.285 rad=2.094395102 { 104 103 109 } #!CB name="HB 1 C5CH4" interaction bending f=0.285 rad=2.094395102 { 105 104 110 } #!CB name="HB 1 C6CH5" interaction bending f=0.285 rad=2.094395102 { 100 105 111 } #!CB name="HB 1 C1CH6" interaction bending f=0.285 rad=2.094395102 { 105 100 106 } #!CB name="HB 1 C6CH1" interaction bending f=0.285 rad=2.094395102 { 104 105 111 } #!CB name="HB 1 C5CH6" interaction bending f=0.285 rad=2.094395102 { 103 104 110 } #!CB name="HB 1 C4CH5" interaction bending f=0.285 rad=2.094395102 { 102 103 109 } #!CB name="HB 1 C3CH4" interaction bending f=0.285 rad=2.094395102 { 101 102 108 } #!CB name="HB 1 C2CH3" interaction bending f=0.285 rad=2.094395102 { 100 101 107 } #!CB name="HB 1 C1CH2" interaction bending f=1.173 rad=2.094395102 { 100 101 102 } #!CB name="HB 1 C1-C3" interaction bending f=1.173 rad=2.094395102 { 101 102 103 } #!CB name="HB 1 C2-C4" interaction bending f=1.173 rad=2.094395102 { 102 103 104 } #!CB name="HB 1 C3-C5" interaction bending f=1.173 rad=2.094395102 { 103 104 105 } #!CB name="HB 1 C4-C6" interaction bending f=1.173 rad=2.094395102 { 104 105 100 } #!CB name="HB 1 C5-C1" interaction bending f=1.173 rad=2.094395102 { 105 100 101 } #!CB name="HB 1 C6-C2" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 100 101 102 108 } #!CB name="PT 1 C123H3" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 101 102 103 109 } #!CB name="PT 1 C234H4" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 102 103 104 110 } #!CB name="PT 1 C345H5" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 103 104 105 111 } #!CB name="PT 1 C456H6" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 104 105 100 106 } #!CB name="PT 1 C561H1" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 105 100 101 107 } #!CB name="PT 1 C612H2" # Benzene 2 Internal interactions: interaction harmonic f=0.3505 r0=2.06 { 200 206 } #!CB name="HS 2 C1H1" interaction harmonic f=0.3505 r0=2.06 { 201 207 } #!CB name="HS 2 C2H2" interaction harmonic f=0.3505 r0=2.06 { 202 208 } #!CB name="HS 2 C3H3" interaction harmonic f=0.3505 r0=2.06 { 203 209 } #!CB name="HS 2 C4H4" interaction harmonic f=0.3505 r0=2.06 { 204 210 } #!CB name="HS 2 C5H5" interaction harmonic f=0.3505 r0=2.06 { 205 211 } #!CB name="HS 2 C6H6" interaction harmonic f=0.4792 r0=2.642 { 200 201 } #!CB name="HS 2 C1C2" interaction harmonic f=0.4792 r0=2.642 { 201 202 } #!CB name="HS 2 C1C2" interaction harmonic f=0.4792 r0=2.642 { 202 203 } #!CB name="HS 2 C1C2" interaction harmonic f=0.4792 r0=2.642 { 203 204 } #!CB name="HS 2 C1C2" interaction harmonic f=0.4792 r0=2.642 { 204 205 } #!CB name="HS 2 C1C2" interaction harmonic f=0.4792 r0=2.642 { 205 200 } #!CB name="HS 2 C1C2" interaction bending f=0.285 rad=2.094395102 { 201 200 206 } #!CB name="HB 2 C2CH1" interaction bending f=0.285 rad=2.094395102 { 202 201 207 } #!CB name="HB 2 C3CH2" interaction bending f=0.285 rad=2.094395102 { 203 202 208 } #!CB name="HB 2 C4CH3" interaction bending f=0.285 rad=2.094395102 { 204 203 209 } #!CB name="HB 2 C5CH4" interaction bending f=0.285 rad=2.094395102 { 205 204 210 } #!CB name="HB 2 C6CH5" interaction bending f=0.285 rad=2.094395102 { 200 205 211 } #!CB name="HB 2 C1CH6" interaction bending f=0.285 rad=2.094395102 { 205 200 206 } #!CB name="HB 2 C6CH1" interaction bending f=0.285 rad=2.094395102 { 204 205 211 } #!CB name="HB 2 C5CH6" interaction bending f=0.285 rad=2.094395102 { 203 204 210 } #!CB name="HB 2 C4CH5" interaction bending f=0.285 rad=2.094395102 { 202 203 209 } #!CB name="HB 2 C3CH4" interaction bending f=0.285 rad=2.094395102 { 201 202 208 } #!CB name="HB 2 C2CH3" interaction bending f=0.285 rad=2.094395102 { 200 201 207 } #!CB name="HB 2 C1CH2" interaction bending f=1.173 rad=2.094395102 { 200 201 202 } #!CB name="HB 2 C1-C3" interaction bending f=1.173 rad=2.094395102 { 201 202 203 } #!CB name="HB 2 C2-C4" interaction bending f=1.173 rad=2.094395102 { 202 203 204 } #!CB name="HB 2 C3-C5" interaction bending f=1.173 rad=2.094395102 { 203 204 205 } #!CB name="HB 2 C4-C6" interaction bending f=1.173 rad=2.094395102 { 204 205 200 } #!CB name="HB 2 C5-C1" interaction bending f=1.173 rad=2.094395102 { 205 200 201 } #!CB name="HB 2 C6-C2" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 200 201 202 208 } #!CB name="PT 2 C123H3" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 201 202 203 209 } #!CB name="PT 2 C234H4" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 202 203 204 210 } #!CB name="PT 2 C345H5" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 203 204 205 211 } #!CB name="PT 2 C456H6" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 204 205 200 206 } #!CB name="PT 2 C561H1" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 205 200 201 207 } #!CB name="PT 2 C612H2" # Benzene 3 Internal interactions: interaction harmonic f=0.3505 r0=2.06 { 300 306 } #!CB name="HS 3 C1H1" interaction harmonic f=0.3505 r0=2.06 { 301 307 } #!CB name="HS 3 C2H2" interaction harmonic f=0.3505 r0=2.06 { 302 308 } #!CB name="HS 3 C3H3" interaction harmonic f=0.3505 r0=2.06 { 303 309 } #!CB name="HS 3 C4H4" interaction harmonic f=0.3505 r0=2.06 { 304 310 } #!CB name="HS 3 C5H5" interaction harmonic f=0.3505 r0=2.06 { 305 311 } #!CB name="HS 3 C6H6" interaction harmonic f=0.4792 r0=2.642 { 300 301 } #!CB name="HS 3 C1C2" interaction harmonic f=0.4792 r0=2.642 { 301 302 } #!CB name="HS 3 C1C2" interaction harmonic f=0.4792 r0=2.642 { 302 303 } #!CB name="HS 3 C1C2" interaction harmonic f=0.4792 r0=2.642 { 303 304 } #!CB name="HS 3 C1C2" interaction harmonic f=0.4792 r0=2.642 { 304 305 } #!CB name="HS 3 C1C2" interaction harmonic f=0.4792 r0=2.642 { 305 300 } #!CB name="HS 3 C1C2" interaction bending f=0.285 rad=2.094395102 { 301 300 306 } #!CB name="HB 3 C2CH1" interaction bending f=0.285 rad=2.094395102 { 302 301 307 } #!CB name="HB 3 C3CH2" interaction bending f=0.285 rad=2.094395102 { 303 302 308 } #!CB name="HB 3 C4CH3" interaction bending f=0.285 rad=2.094395102 { 304 303 309 } #!CB name="HB 3 C5CH4" interaction bending f=0.285 rad=2.094395102 { 305 304 310 } #!CB name="HB 3 C6CH5" interaction bending f=0.285 rad=2.094395102 { 300 305 311 } #!CB name="HB 3 C1CH6" interaction bending f=0.285 rad=2.094395102 { 305 300 306 } #!CB name="HB 3 C6CH1" interaction bending f=0.285 rad=2.094395102 { 304 305 311 } #!CB name="HB 3 C5CH6" interaction bending f=0.285 rad=2.094395102 { 303 304 310 } #!CB name="HB 3 C4CH5" interaction bending f=0.285 rad=2.094395102 { 302 303 309 } #!CB name="HB 3 C3CH4" interaction bending f=0.285 rad=2.094395102 { 301 302 308 } #!CB name="HB 3 C2CH3" interaction bending f=0.285 rad=2.094395102 { 300 301 307 } #!CB name="HB 3 C1CH2" interaction bending f=1.173 rad=2.094395102 { 300 301 302 } #!CB name="HB 3 C1-C3" interaction bending f=1.173 rad=2.094395102 { 301 302 303 } #!CB name="HB 3 C2-C4" interaction bending f=1.173 rad=2.094395102 { 302 303 304 } #!CB name="HB 3 C3-C5" interaction bending f=1.173 rad=2.094395102 { 303 304 305 } #!CB name="HB 3 C4-C6" interaction bending f=1.173 rad=2.094395102 { 304 305 300 } #!CB name="HB 3 C5-C1" interaction bending f=1.173 rad=2.094395102 { 305 300 301 } #!CB name="HB 3 C6-C2" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 300 301 302 308 } #!CB name="PT 3 C123H3" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 301 302 303 309 } #!CB name="PT 3 C234H4" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 302 303 304 310 } #!CB name="PT 3 C345H5" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 303 304 305 311 } #!CB name="PT 3 C456H6" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 304 305 300 306 } #!CB name="PT 3 C561H1" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 305 300 301 307 } #!CB name="PT 3 C612H2" # Benzene 4 Internal interactions: interaction harmonic f=0.3505 r0=2.06 { 400 406 } #!CB name="HS 4 C1H1" interaction harmonic f=0.3505 r0=2.06 { 401 407 } #!CB name="HS 4 C2H2" interaction harmonic f=0.3505 r0=2.06 { 402 408 } #!CB name="HS 4 C3H3" interaction harmonic f=0.3505 r0=2.06 { 403 409 } #!CB name="HS 4 C4H4" interaction harmonic f=0.3505 r0=2.06 { 404 410 } #!CB name="HS 4 C5H5" interaction harmonic f=0.3505 r0=2.06 { 405 411 } #!CB name="HS 4 C6H6" interaction harmonic f=0.4792 r0=2.642 { 400 401 } #!CB name="HS 4 C1C2" interaction harmonic f=0.4792 r0=2.642 { 401 402 } #!CB name="HS 4 C1C2" interaction harmonic f=0.4792 r0=2.642 { 402 403 } #!CB name="HS 4 C1C2" interaction harmonic f=0.4792 r0=2.642 { 403 404 } #!CB name="HS 4 C1C2" interaction harmonic f=0.4792 r0=2.642 { 404 405 } #!CB name="HS 4 C1C2" interaction harmonic f=0.4792 r0=2.642 { 405 400 } #!CB name="HS 4 C1C2" interaction bending f=0.285 rad=2.094395102 { 401 400 406 } #!CB name="HB 4 C2CH1" interaction bending f=0.285 rad=2.094395102 { 402 401 407 } #!CB name="HB 4 C3CH2" interaction bending f=0.285 rad=2.094395102 { 403 402 408 } #!CB name="HB 4 C4CH3" interaction bending f=0.285 rad=2.094395102 { 404 403 409 } #!CB name="HB 4 C5CH4" interaction bending f=0.285 rad=2.094395102 { 405 404 410 } #!CB name="HB 4 C6CH5" interaction bending f=0.285 rad=2.094395102 { 400 405 411 } #!CB name="HB 4 C1CH6" interaction bending f=0.285 rad=2.094395102 { 405 400 406 } #!CB name="HB 4 C6CH1" interaction bending f=0.285 rad=2.094395102 { 404 405 411 } #!CB name="HB 4 C5CH6" interaction bending f=0.285 rad=2.094395102 { 403 404 410 } #!CB name="HB 4 C4CH5" interaction bending f=0.285 rad=2.094395102 { 402 403 409 } #!CB name="HB 4 C3CH4" interaction bending f=0.285 rad=2.094395102 { 401 402 408 } #!CB name="HB 4 C2CH3" interaction bending f=0.285 rad=2.094395102 { 400 401 407 } #!CB name="HB 4 C1CH2" interaction bending f=1.173 rad=2.094395102 { 400 401 402 } #!CB name="HB 4 C1-C3" interaction bending f=1.173 rad=2.094395102 { 401 402 403 } #!CB name="HB 4 C2-C4" interaction bending f=1.173 rad=2.094395102 { 402 403 404 } #!CB name="HB 4 C3-C5" interaction bending f=1.173 rad=2.094395102 { 403 404 405 } #!CB name="HB 4 C4-C6" interaction bending f=1.173 rad=2.094395102 { 404 405 400 } #!CB name="HB 4 C5-C1" interaction bending f=1.173 rad=2.094395102 { 405 400 401 } #!CB name="HB 4 C6-C2" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 400 401 402 408 } #!CB name="PT 4 C123H3" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 401 402 403 409 } #!CB name="PT 4 C234H4" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 402 403 404 410 } #!CB name="PT 4 C345H5" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 403 404 405 411 } #!CB name="PT 4 C456H6" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 404 405 400 406 } #!CB name="PT 4 C561H1" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 405 400 401 407 } #!CB name="PT 4 C612H2" # Benzene 5 Internal interactions: interaction harmonic f=0.3505 r0=2.06 { 500 506 } #!CB name="HS 5 C1H1" interaction harmonic f=0.3505 r0=2.06 { 501 507 } #!CB name="HS 5 C2H2" interaction harmonic f=0.3505 r0=2.06 { 502 508 } #!CB name="HS 5 C3H3" interaction harmonic f=0.3505 r0=2.06 { 503 509 } #!CB name="HS 5 C4H4" interaction harmonic f=0.3505 r0=2.06 { 504 510 } #!CB name="HS 5 C5H5" interaction harmonic f=0.3505 r0=2.06 { 505 511 } #!CB name="HS 5 C6H6" interaction harmonic f=0.4792 r0=2.642 { 500 501 } #!CB name="HS 5 C1C2" interaction harmonic f=0.4792 r0=2.642 { 501 502 } #!CB name="HS 5 C1C2" interaction harmonic f=0.4792 r0=2.642 { 502 503 } #!CB name="HS 5 C1C2" interaction harmonic f=0.4792 r0=2.642 { 503 504 } #!CB name="HS 5 C1C2" interaction harmonic f=0.4792 r0=2.642 { 504 505 } #!CB name="HS 5 C1C2" interaction harmonic f=0.4792 r0=2.642 { 505 500 } #!CB name="HS 5 C1C2" interaction bending f=0.285 rad=2.094395102 { 501 500 506 } #!CB name="HB 5 C2CH1" interaction bending f=0.285 rad=2.094395102 { 502 501 507 } #!CB name="HB 5 C3CH2" interaction bending f=0.285 rad=2.094395102 { 503 502 508 } #!CB name="HB 5 C4CH3" interaction bending f=0.285 rad=2.094395102 { 504 503 509 } #!CB name="HB 5 C5CH4" interaction bending f=0.285 rad=2.094395102 { 505 504 510 } #!CB name="HB 5 C6CH5" interaction bending f=0.285 rad=2.094395102 { 500 505 511 } #!CB name="HB 5 C1CH6" interaction bending f=0.285 rad=2.094395102 { 505 500 506 } #!CB name="HB 5 C6CH1" interaction bending f=0.285 rad=2.094395102 { 504 505 511 } #!CB name="HB 5 C5CH6" interaction bending f=0.285 rad=2.094395102 { 503 504 510 } #!CB name="HB 5 C4CH5" interaction bending f=0.285 rad=2.094395102 { 502 503 509 } #!CB name="HB 5 C3CH4" interaction bending f=0.285 rad=2.094395102 { 501 502 508 } #!CB name="HB 5 C2CH3" interaction bending f=0.285 rad=2.094395102 { 500 501 507 } #!CB name="HB 5 C1CH2" interaction bending f=1.173 rad=2.094395102 { 500 501 502 } #!CB name="HB 5 C1-C3" interaction bending f=1.173 rad=2.094395102 { 501 502 503 } #!CB name="HB 5 C2-C4" interaction bending f=1.173 rad=2.094395102 { 502 503 504 } #!CB name="HB 5 C3-C5" interaction bending f=1.173 rad=2.094395102 { 503 504 505 } #!CB name="HB 5 C4-C6" interaction bending f=1.173 rad=2.094395102 { 504 505 500 } #!CB name="HB 5 C5-C1" interaction bending f=1.173 rad=2.094395102 { 505 500 501 } #!CB name="HB 5 C6-C2" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 500 501 502 508 } #!CB name="PT 5 C123H3" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 501 502 503 509 } #!CB name="PT 5 C234H4" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 502 503 504 510 } #!CB name="PT 5 C345H5" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 503 504 505 511 } #!CB name="PT 5 C456H6" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 504 505 500 506 } #!CB name="PT 5 C561H1" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 505 500 501 507 } #!CB name="PT 5 C612H2" # Benzene 6 Internal interactions: interaction harmonic f=0.3505 r0=2.06 { 600 606 } #!CB name="HS 6 C1H1" interaction harmonic f=0.3505 r0=2.06 { 601 607 } #!CB name="HS 6 C2H2" interaction harmonic f=0.3505 r0=2.06 { 602 608 } #!CB name="HS 6 C3H3" interaction harmonic f=0.3505 r0=2.06 { 603 609 } #!CB name="HS 6 C4H4" interaction harmonic f=0.3505 r0=2.06 { 604 610 } #!CB name="HS 6 C5H5" interaction harmonic f=0.3505 r0=2.06 { 605 611 } #!CB name="HS 6 C6H6" interaction harmonic f=0.4792 r0=2.642 { 600 601 } #!CB name="HS 6 C1C2" interaction harmonic f=0.4792 r0=2.642 { 601 602 } #!CB name="HS 6 C1C2" interaction harmonic f=0.4792 r0=2.642 { 602 603 } #!CB name="HS 6 C1C2" interaction harmonic f=0.4792 r0=2.642 { 603 604 } #!CB name="HS 6 C1C2" interaction harmonic f=0.4792 r0=2.642 { 604 605 } #!CB name="HS 6 C1C2" interaction harmonic f=0.4792 r0=2.642 { 605 600 } #!CB name="HS 6 C1C2" interaction bending f=0.285 rad=2.094395102 { 601 600 606 } #!CB name="HB 6 C2CH1" interaction bending f=0.285 rad=2.094395102 { 602 601 607 } #!CB name="HB 6 C3CH2" interaction bending f=0.285 rad=2.094395102 { 603 602 608 } #!CB name="HB 6 C4CH3" interaction bending f=0.285 rad=2.094395102 { 604 603 609 } #!CB name="HB 6 C5CH4" interaction bending f=0.285 rad=2.094395102 { 605 604 610 } #!CB name="HB 6 C6CH5" interaction bending f=0.285 rad=2.094395102 { 600 605 611 } #!CB name="HB 6 C1CH6" interaction bending f=0.285 rad=2.094395102 { 605 600 606 } #!CB name="HB 6 C6CH1" interaction bending f=0.285 rad=2.094395102 { 604 605 611 } #!CB name="HB 6 C5CH6" interaction bending f=0.285 rad=2.094395102 { 603 604 610 } #!CB name="HB 6 C4CH5" interaction bending f=0.285 rad=2.094395102 { 602 603 609 } #!CB name="HB 6 C3CH4" interaction bending f=0.285 rad=2.094395102 { 601 602 608 } #!CB name="HB 6 C2CH3" interaction bending f=0.285 rad=2.094395102 { 600 601 607 } #!CB name="HB 6 C1CH2" interaction bending f=1.173 rad=2.094395102 { 600 601 602 } #!CB name="HB 6 C1-C3" interaction bending f=1.173 rad=2.094395102 { 601 602 603 } #!CB name="HB 6 C2-C4" interaction bending f=1.173 rad=2.094395102 { 602 603 604 } #!CB name="HB 6 C3-C5" interaction bending f=1.173 rad=2.094395102 { 603 604 605 } #!CB name="HB 6 C4-C6" interaction bending f=1.173 rad=2.094395102 { 604 605 600 } #!CB name="HB 6 C5-C1" interaction bending f=1.173 rad=2.094395102 { 605 600 601 } #!CB name="HB 6 C6-C2" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 600 601 602 608 } #!CB name="PT 6 C123H3" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 601 602 603 609 } #!CB name="PT 6 C234H4" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 602 603 604 610 } #!CB name="PT 6 C345H5" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 603 604 605 611 } #!CB name="PT 6 C456H6" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 604 605 600 606 } #!CB name="PT 6 C561H1" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 605 600 601 607 } #!CB name="PT 6 C612H2" # Benzene 7 Internal interactions: interaction harmonic f=0.3505 r0=2.06 { 700 706 } #!CB name="HS 7 C1H1" interaction harmonic f=0.3505 r0=2.06 { 701 707 } #!CB name="HS 7 C2H2" interaction harmonic f=0.3505 r0=2.06 { 702 708 } #!CB name="HS 7 C3H3" interaction harmonic f=0.3505 r0=2.06 { 703 709 } #!CB name="HS 7 C4H4" interaction harmonic f=0.3505 r0=2.06 { 704 710 } #!CB name="HS 7 C5H5" interaction harmonic f=0.3505 r0=2.06 { 705 711 } #!CB name="HS 7 C6H6" interaction harmonic f=0.4792 r0=2.642 { 700 701 } #!CB name="HS 7 C1C2" interaction harmonic f=0.4792 r0=2.642 { 701 702 } #!CB name="HS 7 C1C2" interaction harmonic f=0.4792 r0=2.642 { 702 703 } #!CB name="HS 7 C1C2" interaction harmonic f=0.4792 r0=2.642 { 703 704 } #!CB name="HS 7 C1C2" interaction harmonic f=0.4792 r0=2.642 { 704 705 } #!CB name="HS 7 C1C2" interaction harmonic f=0.4792 r0=2.642 { 705 700 } #!CB name="HS 7 C1C2" interaction bending f=0.285 rad=2.094395102 { 701 700 706 } #!CB name="HB 7 C2CH1" interaction bending f=0.285 rad=2.094395102 { 702 701 707 } #!CB name="HB 7 C3CH2" interaction bending f=0.285 rad=2.094395102 { 703 702 708 } #!CB name="HB 7 C4CH3" interaction bending f=0.285 rad=2.094395102 { 704 703 709 } #!CB name="HB 7 C5CH4" interaction bending f=0.285 rad=2.094395102 { 705 704 710 } #!CB name="HB 7 C6CH5" interaction bending f=0.285 rad=2.094395102 { 700 705 711 } #!CB name="HB 7 C1CH6" interaction bending f=0.285 rad=2.094395102 { 705 700 706 } #!CB name="HB 7 C6CH1" interaction bending f=0.285 rad=2.094395102 { 704 705 711 } #!CB name="HB 7 C5CH6" interaction bending f=0.285 rad=2.094395102 { 703 704 710 } #!CB name="HB 7 C4CH5" interaction bending f=0.285 rad=2.094395102 { 702 703 709 } #!CB name="HB 7 C3CH4" interaction bending f=0.285 rad=2.094395102 { 701 702 708 } #!CB name="HB 7 C2CH3" interaction bending f=0.285 rad=2.094395102 { 700 701 707 } #!CB name="HB 7 C1CH2" interaction bending f=1.173 rad=2.094395102 { 700 701 702 } #!CB name="HB 7 C1-C3" interaction bending f=1.173 rad=2.094395102 { 701 702 703 } #!CB name="HB 7 C2-C4" interaction bending f=1.173 rad=2.094395102 { 702 703 704 } #!CB name="HB 7 C3-C5" interaction bending f=1.173 rad=2.094395102 { 703 704 705 } #!CB name="HB 7 C4-C6" interaction bending f=1.173 rad=2.094395102 { 704 705 700 } #!CB name="HB 7 C5-C1" interaction bending f=1.173 rad=2.094395102 { 705 700 701 } #!CB name="HB 7 C6-C2" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 700 701 702 708 } #!CB name="PT 7 C123H3" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 701 702 703 709 } #!CB name="PT 7 C234H4" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 702 703 704 710 } #!CB name="PT 7 C345H5" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 703 704 705 711 } #!CB name="PT 7 C456H6" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 704 705 700 706 } #!CB name="PT 7 C561H1" interaction torsional n=3.0 f=0.0004464 deg=180.0 { 705 700 701 707 } #!CB name="PT 7 C612H2" # Water molecule 0 0 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 15 16 } #!CB name="HS 0 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 15 17 } #!CB name="HS 0 O1H2" interaction bending f=0.159147835842 deg=109.47 { 16 15 17 } #!CB name="HB 0 H1O1H2" # Water molecule 0 1 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 18 19 } #!CB name="HS 1 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 18 20 } #!CB name="HS 1 O1H2" interaction bending f=0.159147835842 deg=109.47 { 19 18 20 } #!CB name="HB 1 H1O1H2" # Water molecule 0 2 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 21 22 } #!CB name="HS 2 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 21 23 } #!CB name="HS 2 O1H2" interaction bending f=0.159147835842 deg=109.47 { 22 21 23 } #!CB name="HB 2 H1O1H2" # Water molecule 0 3 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 24 25 } #!CB name="HS 3 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 24 26 } #!CB name="HS 3 O1H2" interaction bending f=0.159147835842 deg=109.47 { 25 24 26 } #!CB name="HB 3 H1O1H2" # Water molecule 0 4 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 27 28 } #!CB name="HS 4 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 27 29 } #!CB name="HS 4 O1H2" interaction bending f=0.159147835842 deg=109.47 { 28 27 29 } #!CB name="HB 4 H1O1H2" # Water molecule 0 5 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 30 31 } #!CB name="HS 5 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 30 32 } #!CB name="HS 5 O1H2" interaction bending f=0.159147835842 deg=109.47 { 31 30 32 } #!CB name="HB 5 H1O1H2" # Water molecule 0 6 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 33 34 } #!CB name="HS 6 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 33 35 } #!CB name="HS 6 O1H2" interaction bending f=0.159147835842 deg=109.47 { 34 33 35 } #!CB name="HB 6 H1O1H2" # Water molecule 0 7 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 36 37 } #!CB name="HS 7 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 36 38 } #!CB name="HS 7 O1H2" interaction bending f=0.159147835842 deg=109.47 { 37 36 38 } #!CB name="HB 7 H1O1H2" # Water molecule 1 0 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 115 116 } #!CB name="HS 0 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 115 117 } #!CB name="HS 0 O1H2" interaction bending f=0.159147835842 deg=109.47 { 116 115 117 } #!CB name="HB 0 H1O1H2" # Water molecule 1 1 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 118 119 } #!CB name="HS 1 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 118 120 } #!CB name="HS 1 O1H2" interaction bending f=0.159147835842 deg=109.47 { 119 118 120 } #!CB name="HB 1 H1O1H2" # Water molecule 1 2 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 121 122 } #!CB name="HS 2 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 121 123 } #!CB name="HS 2 O1H2" interaction bending f=0.159147835842 deg=109.47 { 122 121 123 } #!CB name="HB 2 H1O1H2" # Water molecule 1 3 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 124 125 } #!CB name="HS 3 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 124 126 } #!CB name="HS 3 O1H2" interaction bending f=0.159147835842 deg=109.47 { 125 124 126 } #!CB name="HB 3 H1O1H2" # Water molecule 1 4 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 127 128 } #!CB name="HS 4 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 127 129 } #!CB name="HS 4 O1H2" interaction bending f=0.159147835842 deg=109.47 { 128 127 129 } #!CB name="HB 4 H1O1H2" # Water molecule 1 5 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 130 131 } #!CB name="HS 5 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 130 132 } #!CB name="HS 5 O1H2" interaction bending f=0.159147835842 deg=109.47 { 131 130 132 } #!CB name="HB 5 H1O1H2" # Water molecule 1 6 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 133 134 } #!CB name="HS 6 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 133 135 } #!CB name="HS 6 O1H2" interaction bending f=0.159147835842 deg=109.47 { 134 133 135 } #!CB name="HB 6 H1O1H2" # Water molecule 1 7 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 136 137 } #!CB name="HS 7 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 136 138 } #!CB name="HS 7 O1H2" interaction bending f=0.159147835842 deg=109.47 { 137 136 138 } #!CB name="HB 7 H1O1H2" # Water molecule 2 0 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 215 216 } #!CB name="HS 0 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 215 217 } #!CB name="HS 0 O1H2" interaction bending f=0.159147835842 deg=109.47 { 216 215 217 } #!CB name="HB 0 H1O1H2" # Water molecule 2 1 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 218 219 } #!CB name="HS 1 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 218 220 } #!CB name="HS 1 O1H2" interaction bending f=0.159147835842 deg=109.47 { 219 218 220 } #!CB name="HB 1 H1O1H2" # Water molecule 2 2 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 221 222 } #!CB name="HS 2 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 221 223 } #!CB name="HS 2 O1H2" interaction bending f=0.159147835842 deg=109.47 { 222 221 223 } #!CB name="HB 2 H1O1H2" # Water molecule 2 3 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 224 225 } #!CB name="HS 3 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 224 226 } #!CB name="HS 3 O1H2" interaction bending f=0.159147835842 deg=109.47 { 225 224 226 } #!CB name="HB 3 H1O1H2" # Water molecule 2 4 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 227 228 } #!CB name="HS 4 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 227 229 } #!CB name="HS 4 O1H2" interaction bending f=0.159147835842 deg=109.47 { 228 227 229 } #!CB name="HB 4 H1O1H2" # Water molecule 2 5 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 230 231 } #!CB name="HS 5 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 230 232 } #!CB name="HS 5 O1H2" interaction bending f=0.159147835842 deg=109.47 { 231 230 232 } #!CB name="HB 5 H1O1H2" # Water molecule 2 6 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 233 234 } #!CB name="HS 6 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 233 235 } #!CB name="HS 6 O1H2" interaction bending f=0.159147835842 deg=109.47 { 234 233 235 } #!CB name="HB 6 H1O1H2" # Water molecule 2 7 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 236 237 } #!CB name="HS 7 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 236 238 } #!CB name="HS 7 O1H2" interaction bending f=0.159147835842 deg=109.47 { 237 236 238 } #!CB name="HB 7 H1O1H2" # Water molecule 3 0 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 315 316 } #!CB name="HS 0 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 315 317 } #!CB name="HS 0 O1H2" interaction bending f=0.159147835842 deg=109.47 { 316 315 317 } #!CB name="HB 0 H1O1H2" # Water molecule 3 1 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 318 319 } #!CB name="HS 1 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 318 320 } #!CB name="HS 1 O1H2" interaction bending f=0.159147835842 deg=109.47 { 319 318 320 } #!CB name="HB 1 H1O1H2" # Water molecule 3 2 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 321 322 } #!CB name="HS 2 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 321 323 } #!CB name="HS 2 O1H2" interaction bending f=0.159147835842 deg=109.47 { 322 321 323 } #!CB name="HB 2 H1O1H2" # Water molecule 3 3 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 324 325 } #!CB name="HS 3 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 324 326 } #!CB name="HS 3 O1H2" interaction bending f=0.159147835842 deg=109.47 { 325 324 326 } #!CB name="HB 3 H1O1H2" # Water molecule 3 4 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 327 328 } #!CB name="HS 4 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 327 329 } #!CB name="HS 4 O1H2" interaction bending f=0.159147835842 deg=109.47 { 328 327 329 } #!CB name="HB 4 H1O1H2" # Water molecule 3 5 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 330 331 } #!CB name="HS 5 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 330 332 } #!CB name="HS 5 O1H2" interaction bending f=0.159147835842 deg=109.47 { 331 330 332 } #!CB name="HB 5 H1O1H2" # Water molecule 3 6 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 333 334 } #!CB name="HS 6 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 333 335 } #!CB name="HS 6 O1H2" interaction bending f=0.159147835842 deg=109.47 { 334 333 335 } #!CB name="HB 6 H1O1H2" # Water molecule 3 7 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 336 337 } #!CB name="HS 7 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 336 338 } #!CB name="HS 7 O1H2" interaction bending f=0.159147835842 deg=109.47 { 337 336 338 } #!CB name="HB 7 H1O1H2" # Water molecule 4 0 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 415 416 } #!CB name="HS 0 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 415 417 } #!CB name="HS 0 O1H2" interaction bending f=0.159147835842 deg=109.47 { 416 415 417 } #!CB name="HB 0 H1O1H2" # Water molecule 4 1 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 418 419 } #!CB name="HS 1 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 418 420 } #!CB name="HS 1 O1H2" interaction bending f=0.159147835842 deg=109.47 { 419 418 420 } #!CB name="HB 1 H1O1H2" # Water molecule 4 2 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 421 422 } #!CB name="HS 2 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 421 423 } #!CB name="HS 2 O1H2" interaction bending f=0.159147835842 deg=109.47 { 422 421 423 } #!CB name="HB 2 H1O1H2" # Water molecule 4 3 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 424 425 } #!CB name="HS 3 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 424 426 } #!CB name="HS 3 O1H2" interaction bending f=0.159147835842 deg=109.47 { 425 424 426 } #!CB name="HB 3 H1O1H2" # Water molecule 4 4 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 427 428 } #!CB name="HS 4 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 427 429 } #!CB name="HS 4 O1H2" interaction bending f=0.159147835842 deg=109.47 { 428 427 429 } #!CB name="HB 4 H1O1H2" # Water molecule 4 5 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 430 431 } #!CB name="HS 5 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 430 432 } #!CB name="HS 5 O1H2" interaction bending f=0.159147835842 deg=109.47 { 431 430 432 } #!CB name="HB 5 H1O1H2" # Water molecule 4 6 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 433 434 } #!CB name="HS 6 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 433 435 } #!CB name="HS 6 O1H2" interaction bending f=0.159147835842 deg=109.47 { 434 433 435 } #!CB name="HB 6 H1O1H2" # Water molecule 4 7 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 436 437 } #!CB name="HS 7 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 436 438 } #!CB name="HS 7 O1H2" interaction bending f=0.159147835842 deg=109.47 { 437 436 438 } #!CB name="HB 7 H1O1H2" # Water molecule 5 0 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 515 516 } #!CB name="HS 0 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 515 517 } #!CB name="HS 0 O1H2" interaction bending f=0.159147835842 deg=109.47 { 516 515 517 } #!CB name="HB 0 H1O1H2" # Water molecule 5 1 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 518 519 } #!CB name="HS 1 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 518 520 } #!CB name="HS 1 O1H2" interaction bending f=0.159147835842 deg=109.47 { 519 518 520 } #!CB name="HB 1 H1O1H2" # Water molecule 5 2 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 521 522 } #!CB name="HS 2 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 521 523 } #!CB name="HS 2 O1H2" interaction bending f=0.159147835842 deg=109.47 { 522 521 523 } #!CB name="HB 2 H1O1H2" # Water molecule 5 3 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 524 525 } #!CB name="HS 3 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 524 526 } #!CB name="HS 3 O1H2" interaction bending f=0.159147835842 deg=109.47 { 525 524 526 } #!CB name="HB 3 H1O1H2" # Water molecule 5 4 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 527 528 } #!CB name="HS 4 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 527 529 } #!CB name="HS 4 O1H2" interaction bending f=0.159147835842 deg=109.47 { 528 527 529 } #!CB name="HB 4 H1O1H2" # Water molecule 5 5 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 530 531 } #!CB name="HS 5 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 530 532 } #!CB name="HS 5 O1H2" interaction bending f=0.159147835842 deg=109.47 { 531 530 532 } #!CB name="HB 5 H1O1H2" # Water molecule 5 6 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 533 534 } #!CB name="HS 6 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 533 535 } #!CB name="HS 6 O1H2" interaction bending f=0.159147835842 deg=109.47 { 534 533 535 } #!CB name="HB 6 H1O1H2" # Water molecule 5 7 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 536 537 } #!CB name="HS 7 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 536 538 } #!CB name="HS 7 O1H2" interaction bending f=0.159147835842 deg=109.47 { 537 536 538 } #!CB name="HB 7 H1O1H2" # Water molecule 6 0 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 615 616 } #!CB name="HS 0 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 615 617 } #!CB name="HS 0 O1H2" interaction bending f=0.159147835842 deg=109.47 { 616 615 617 } #!CB name="HB 0 H1O1H2" # Water molecule 6 1 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 618 619 } #!CB name="HS 1 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 618 620 } #!CB name="HS 1 O1H2" interaction bending f=0.159147835842 deg=109.47 { 619 618 620 } #!CB name="HB 1 H1O1H2" # Water molecule 6 2 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 621 622 } #!CB name="HS 2 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 621 623 } #!CB name="HS 2 O1H2" interaction bending f=0.159147835842 deg=109.47 { 622 621 623 } #!CB name="HB 2 H1O1H2" # Water molecule 6 3 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 624 625 } #!CB name="HS 3 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 624 626 } #!CB name="HS 3 O1H2" interaction bending f=0.159147835842 deg=109.47 { 625 624 626 } #!CB name="HB 3 H1O1H2" # Water molecule 6 4 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 627 628 } #!CB name="HS 4 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 627 629 } #!CB name="HS 4 O1H2" interaction bending f=0.159147835842 deg=109.47 { 628 627 629 } #!CB name="HB 4 H1O1H2" # Water molecule 6 5 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 630 631 } #!CB name="HS 5 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 630 632 } #!CB name="HS 5 O1H2" interaction bending f=0.159147835842 deg=109.47 { 631 630 632 } #!CB name="HB 5 H1O1H2" # Water molecule 6 6 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 633 634 } #!CB name="HS 6 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 633 635 } #!CB name="HS 6 O1H2" interaction bending f=0.159147835842 deg=109.47 { 634 633 635 } #!CB name="HB 6 H1O1H2" # Water molecule 6 7 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 636 637 } #!CB name="HS 7 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 636 638 } #!CB name="HS 7 O1H2" interaction bending f=0.159147835842 deg=109.47 { 637 636 638 } #!CB name="HB 7 H1O1H2" # Water molecule 7 0 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 715 716 } #!CB name="HS 0 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 715 717 } #!CB name="HS 0 O1H2" interaction bending f=0.159147835842 deg=109.47 { 716 715 717 } #!CB name="HB 0 H1O1H2" # Water molecule 7 1 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 718 719 } #!CB name="HS 1 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 718 720 } #!CB name="HS 1 O1H2" interaction bending f=0.159147835842 deg=109.47 { 719 718 720 } #!CB name="HB 1 H1O1H2" # Water molecule 7 2 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 721 722 } #!CB name="HS 2 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 721 723 } #!CB name="HS 2 O1H2" interaction bending f=0.159147835842 deg=109.47 { 722 721 723 } #!CB name="HB 2 H1O1H2" # Water molecule 7 3 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 724 725 } #!CB name="HS 3 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 724 726 } #!CB name="HS 3 O1H2" interaction bending f=0.159147835842 deg=109.47 { 725 724 726 } #!CB name="HB 3 H1O1H2" # Water molecule 7 4 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 727 728 } #!CB name="HS 4 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 727 729 } #!CB name="HS 4 O1H2" interaction bending f=0.159147835842 deg=109.47 { 728 727 729 } #!CB name="HB 4 H1O1H2" # Water molecule 7 5 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 730 731 } #!CB name="HS 5 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 730 732 } #!CB name="HS 5 O1H2" interaction bending f=0.159147835842 deg=109.47 { 731 730 732 } #!CB name="HB 5 H1O1H2" # Water molecule 7 6 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 733 734 } #!CB name="HS 6 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 733 735 } #!CB name="HS 6 O1H2" interaction bending f=0.159147835842 deg=109.47 { 734 733 735 } #!CB name="HB 6 H1O1H2" # Water molecule 7 7 internal interactions: interaction harmonic f=1.74616112472 r0=1.88972598858 { 736 737 } #!CB name="HS 7 O1H1" interaction harmonic f=1.74616112472 r0=1.88972598858 { 736 738 } #!CB name="HS 7 O1H2" interaction bending f=0.159147835842 deg=109.47 { 737 736 738 } #!CB name="HB 7 H1O1H2" # Benzene intermolecular interactions interaction lennardjones f=0.00106 r0=6.3697 { 0 100 } #!CB name="LJ C0 C100" interaction lennardjones f=0.00106 r0=6.3697 { 0 101 } #!CB name="LJ C0 C101" interaction lennardjones f=0.00106 r0=6.3697 { 0 102 } #!CB name="LJ C0 C102" interaction lennardjones f=0.00106 r0=6.3697 { 0 103 } #!CB name="LJ C0 C103" interaction lennardjones f=0.00106 r0=6.3697 { 0 104 } #!CB name="LJ C0 C104" interaction lennardjones f=0.00106 r0=6.3697 { 0 105 } #!CB name="LJ C0 C105" interaction lennardjones f=0.00106 r0=6.3697 { 0 200 } #!CB name="LJ C0 C200" interaction lennardjones f=0.00106 r0=6.3697 { 0 201 } #!CB name="LJ C0 C201" interaction lennardjones f=0.00106 r0=6.3697 { 0 202 } #!CB name="LJ C0 C202" interaction lennardjones f=0.00106 r0=6.3697 { 0 203 } #!CB name="LJ C0 C203" interaction lennardjones f=0.00106 r0=6.3697 { 0 204 } #!CB name="LJ C0 C204" interaction lennardjones f=0.00106 r0=6.3697 { 0 205 } #!CB name="LJ C0 C205" interaction lennardjones f=0.00106 r0=6.3697 { 0 300 } #!CB name="LJ C0 C300" interaction lennardjones f=0.00106 r0=6.3697 { 0 301 } #!CB name="LJ C0 C301" interaction lennardjones f=0.00106 r0=6.3697 { 0 302 } #!CB name="LJ C0 C302" interaction lennardjones f=0.00106 r0=6.3697 { 0 303 } #!CB name="LJ C0 C303" interaction lennardjones f=0.00106 r0=6.3697 { 0 304 } #!CB name="LJ C0 C304" interaction lennardjones f=0.00106 r0=6.3697 { 0 305 } #!CB name="LJ C0 C305" interaction lennardjones f=0.00106 r0=6.3697 { 0 400 } #!CB name="LJ C0 C400" interaction lennardjones f=0.00106 r0=6.3697 { 0 401 } #!CB name="LJ C0 C401" interaction lennardjones f=0.00106 r0=6.3697 { 0 402 } #!CB name="LJ C0 C402" interaction lennardjones f=0.00106 r0=6.3697 { 0 403 } #!CB name="LJ C0 C403" interaction lennardjones f=0.00106 r0=6.3697 { 0 404 } #!CB name="LJ C0 C404" interaction lennardjones f=0.00106 r0=6.3697 { 0 405 } #!CB name="LJ C0 C405" interaction lennardjones f=0.00106 r0=6.3697 { 0 500 } #!CB name="LJ C0 C500" interaction lennardjones f=0.00106 r0=6.3697 { 0 501 } #!CB name="LJ C0 C501" interaction lennardjones f=0.00106 r0=6.3697 { 0 502 } #!CB name="LJ C0 C502" interaction lennardjones f=0.00106 r0=6.3697 { 0 503 } #!CB name="LJ C0 C503" interaction lennardjones f=0.00106 r0=6.3697 { 0 504 } #!CB name="LJ C0 C504" interaction lennardjones f=0.00106 r0=6.3697 { 0 505 } #!CB name="LJ C0 C505" interaction lennardjones f=0.00106 r0=6.3697 { 0 600 } #!CB name="LJ C0 C600" interaction lennardjones f=0.00106 r0=6.3697 { 0 601 } #!CB name="LJ C0 C601" interaction lennardjones f=0.00106 r0=6.3697 { 0 602 } #!CB name="LJ C0 C602" interaction lennardjones f=0.00106 r0=6.3697 { 0 603 } #!CB name="LJ C0 C603" interaction lennardjones f=0.00106 r0=6.3697 { 0 604 } #!CB name="LJ C0 C604" interaction lennardjones f=0.00106 r0=6.3697 { 0 605 } #!CB name="LJ C0 C605" interaction lennardjones f=0.00106 r0=6.3697 { 0 700 } #!CB name="LJ C0 C700" interaction lennardjones f=0.00106 r0=6.3697 { 0 701 } #!CB name="LJ C0 C701" interaction lennardjones f=0.00106 r0=6.3697 { 0 702 } #!CB name="LJ C0 C702" interaction lennardjones f=0.00106 r0=6.3697 { 0 703 } #!CB name="LJ C0 C703" interaction lennardjones f=0.00106 r0=6.3697 { 0 704 } #!CB name="LJ C0 C704" interaction lennardjones f=0.00106 r0=6.3697 { 0 705 } #!CB name="LJ C0 C705" interaction lennardjones f=0.00106 r0=6.3697 { 1 100 } #!CB name="LJ C1 C100" interaction lennardjones f=0.00106 r0=6.3697 { 1 101 } #!CB name="LJ C1 C101" interaction lennardjones f=0.00106 r0=6.3697 { 1 102 } #!CB name="LJ C1 C102" interaction lennardjones f=0.00106 r0=6.3697 { 1 103 } #!CB name="LJ C1 C103" interaction lennardjones f=0.00106 r0=6.3697 { 1 104 } #!CB name="LJ C1 C104" interaction lennardjones f=0.00106 r0=6.3697 { 1 105 } #!CB name="LJ C1 C105" interaction lennardjones f=0.00106 r0=6.3697 { 1 200 } #!CB name="LJ C1 C200" interaction lennardjones f=0.00106 r0=6.3697 { 1 201 } #!CB name="LJ C1 C201" interaction lennardjones f=0.00106 r0=6.3697 { 1 202 } #!CB name="LJ C1 C202" interaction lennardjones f=0.00106 r0=6.3697 { 1 203 } #!CB name="LJ C1 C203" interaction lennardjones f=0.00106 r0=6.3697 { 1 204 } #!CB name="LJ C1 C204" interaction lennardjones f=0.00106 r0=6.3697 { 1 205 } #!CB name="LJ C1 C205" interaction lennardjones f=0.00106 r0=6.3697 { 1 300 } #!CB name="LJ C1 C300" interaction lennardjones f=0.00106 r0=6.3697 { 1 301 } #!CB name="LJ C1 C301" interaction lennardjones f=0.00106 r0=6.3697 { 1 302 } #!CB name="LJ C1 C302" interaction lennardjones f=0.00106 r0=6.3697 { 1 303 } #!CB name="LJ C1 C303" interaction lennardjones f=0.00106 r0=6.3697 { 1 304 } #!CB name="LJ C1 C304" interaction lennardjones f=0.00106 r0=6.3697 { 1 305 } #!CB name="LJ C1 C305" interaction lennardjones f=0.00106 r0=6.3697 { 1 400 } #!CB name="LJ C1 C400" interaction lennardjones f=0.00106 r0=6.3697 { 1 401 } #!CB name="LJ C1 C401" interaction lennardjones f=0.00106 r0=6.3697 { 1 402 } #!CB name="LJ C1 C402" interaction lennardjones f=0.00106 r0=6.3697 { 1 403 } #!CB name="LJ C1 C403" interaction lennardjones f=0.00106 r0=6.3697 { 1 404 } #!CB name="LJ C1 C404" interaction lennardjones f=0.00106 r0=6.3697 { 1 405 } #!CB name="LJ C1 C405" interaction lennardjones f=0.00106 r0=6.3697 { 1 500 } #!CB name="LJ C1 C500" interaction lennardjones f=0.00106 r0=6.3697 { 1 501 } #!CB name="LJ C1 C501" interaction lennardjones f=0.00106 r0=6.3697 { 1 502 } #!CB name="LJ C1 C502" interaction lennardjones f=0.00106 r0=6.3697 { 1 503 } #!CB name="LJ C1 C503" interaction lennardjones f=0.00106 r0=6.3697 { 1 504 } #!CB name="LJ C1 C504" interaction lennardjones f=0.00106 r0=6.3697 { 1 505 } #!CB name="LJ C1 C505" interaction lennardjones f=0.00106 r0=6.3697 { 1 600 } #!CB name="LJ C1 C600" interaction lennardjones f=0.00106 r0=6.3697 { 1 601 } #!CB name="LJ C1 C601" interaction lennardjones f=0.00106 r0=6.3697 { 1 602 } #!CB name="LJ C1 C602" interaction lennardjones f=0.00106 r0=6.3697 { 1 603 } #!CB name="LJ C1 C603" interaction lennardjones f=0.00106 r0=6.3697 { 1 604 } #!CB name="LJ C1 C604" interaction lennardjones f=0.00106 r0=6.3697 { 1 605 } #!CB name="LJ C1 C605" interaction lennardjones f=0.00106 r0=6.3697 { 1 700 } #!CB name="LJ C1 C700" interaction lennardjones f=0.00106 r0=6.3697 { 1 701 } #!CB name="LJ C1 C701" interaction lennardjones f=0.00106 r0=6.3697 { 1 702 } #!CB name="LJ C1 C702" interaction lennardjones f=0.00106 r0=6.3697 { 1 703 } #!CB name="LJ C1 C703" interaction lennardjones f=0.00106 r0=6.3697 { 1 704 } #!CB name="LJ C1 C704" interaction lennardjones f=0.00106 r0=6.3697 { 1 705 } #!CB name="LJ C1 C705" interaction lennardjones f=0.00106 r0=6.3697 { 2 100 } #!CB name="LJ C2 C100" interaction lennardjones f=0.00106 r0=6.3697 { 2 101 } #!CB name="LJ C2 C101" interaction lennardjones f=0.00106 r0=6.3697 { 2 102 } #!CB name="LJ C2 C102" interaction lennardjones f=0.00106 r0=6.3697 { 2 103 } #!CB name="LJ C2 C103" interaction lennardjones f=0.00106 r0=6.3697 { 2 104 } #!CB name="LJ C2 C104" interaction lennardjones f=0.00106 r0=6.3697 { 2 105 } #!CB name="LJ C2 C105" interaction lennardjones f=0.00106 r0=6.3697 { 2 200 } #!CB name="LJ C2 C200" interaction lennardjones f=0.00106 r0=6.3697 { 2 201 } #!CB name="LJ C2 C201" interaction lennardjones f=0.00106 r0=6.3697 { 2 202 } #!CB name="LJ C2 C202" interaction lennardjones f=0.00106 r0=6.3697 { 2 203 } #!CB name="LJ C2 C203" interaction lennardjones f=0.00106 r0=6.3697 { 2 204 } #!CB name="LJ C2 C204" interaction lennardjones f=0.00106 r0=6.3697 { 2 205 } #!CB name="LJ C2 C205" interaction lennardjones f=0.00106 r0=6.3697 { 2 300 } #!CB name="LJ C2 C300" interaction lennardjones f=0.00106 r0=6.3697 { 2 301 } #!CB name="LJ C2 C301" interaction lennardjones f=0.00106 r0=6.3697 { 2 302 } #!CB name="LJ C2 C302" interaction lennardjones f=0.00106 r0=6.3697 { 2 303 } #!CB name="LJ C2 C303" interaction lennardjones f=0.00106 r0=6.3697 { 2 304 } #!CB name="LJ C2 C304" interaction lennardjones f=0.00106 r0=6.3697 { 2 305 } #!CB name="LJ C2 C305" interaction lennardjones f=0.00106 r0=6.3697 { 2 400 } #!CB name="LJ C2 C400" interaction lennardjones f=0.00106 r0=6.3697 { 2 401 } #!CB name="LJ C2 C401" interaction lennardjones f=0.00106 r0=6.3697 { 2 402 } #!CB name="LJ C2 C402" interaction lennardjones f=0.00106 r0=6.3697 { 2 403 } #!CB name="LJ C2 C403" interaction lennardjones f=0.00106 r0=6.3697 { 2 404 } #!CB name="LJ C2 C404" interaction lennardjones f=0.00106 r0=6.3697 { 2 405 } #!CB name="LJ C2 C405" interaction lennardjones f=0.00106 r0=6.3697 { 2 500 } #!CB name="LJ C2 C500" interaction lennardjones f=0.00106 r0=6.3697 { 2 501 } #!CB name="LJ C2 C501" interaction lennardjones f=0.00106 r0=6.3697 { 2 502 } #!CB name="LJ C2 C502" interaction lennardjones f=0.00106 r0=6.3697 { 2 503 } #!CB name="LJ C2 C503" interaction lennardjones f=0.00106 r0=6.3697 { 2 504 } #!CB name="LJ C2 C504" interaction lennardjones f=0.00106 r0=6.3697 { 2 505 } #!CB name="LJ C2 C505" interaction lennardjones f=0.00106 r0=6.3697 { 2 600 } #!CB name="LJ C2 C600" interaction lennardjones f=0.00106 r0=6.3697 { 2 601 } #!CB name="LJ C2 C601" interaction lennardjones f=0.00106 r0=6.3697 { 2 602 } #!CB name="LJ C2 C602" interaction lennardjones f=0.00106 r0=6.3697 { 2 603 } #!CB name="LJ C2 C603" interaction lennardjones f=0.00106 r0=6.3697 { 2 604 } #!CB name="LJ C2 C604" interaction lennardjones f=0.00106 r0=6.3697 { 2 605 } #!CB name="LJ C2 C605" interaction lennardjones f=0.00106 r0=6.3697 { 2 700 } #!CB name="LJ C2 C700" interaction lennardjones f=0.00106 r0=6.3697 { 2 701 } #!CB name="LJ C2 C701" interaction lennardjones f=0.00106 r0=6.3697 { 2 702 } #!CB name="LJ C2 C702" interaction lennardjones f=0.00106 r0=6.3697 { 2 703 } #!CB name="LJ C2 C703" interaction lennardjones f=0.00106 r0=6.3697 { 2 704 } #!CB name="LJ C2 C704" interaction lennardjones f=0.00106 r0=6.3697 { 2 705 } #!CB name="LJ C2 C705" interaction lennardjones f=0.00106 r0=6.3697 { 3 100 } #!CB name="LJ C3 C100" interaction lennardjones f=0.00106 r0=6.3697 { 3 101 } #!CB name="LJ C3 C101" interaction lennardjones f=0.00106 r0=6.3697 { 3 102 } #!CB name="LJ C3 C102" interaction lennardjones f=0.00106 r0=6.3697 { 3 103 } #!CB name="LJ C3 C103" interaction lennardjones f=0.00106 r0=6.3697 { 3 104 } #!CB name="LJ C3 C104" interaction lennardjones f=0.00106 r0=6.3697 { 3 105 } #!CB name="LJ C3 C105" interaction lennardjones f=0.00106 r0=6.3697 { 3 200 } #!CB name="LJ C3 C200" interaction lennardjones f=0.00106 r0=6.3697 { 3 201 } #!CB name="LJ C3 C201" interaction lennardjones f=0.00106 r0=6.3697 { 3 202 } #!CB name="LJ C3 C202" interaction lennardjones f=0.00106 r0=6.3697 { 3 203 } #!CB name="LJ C3 C203" interaction lennardjones f=0.00106 r0=6.3697 { 3 204 } #!CB name="LJ C3 C204" interaction lennardjones f=0.00106 r0=6.3697 { 3 205 } #!CB name="LJ C3 C205" interaction lennardjones f=0.00106 r0=6.3697 { 3 300 } #!CB name="LJ C3 C300" interaction lennardjones f=0.00106 r0=6.3697 { 3 301 } #!CB name="LJ C3 C301" interaction lennardjones f=0.00106 r0=6.3697 { 3 302 } #!CB name="LJ C3 C302" interaction lennardjones f=0.00106 r0=6.3697 { 3 303 } #!CB name="LJ C3 C303" interaction lennardjones f=0.00106 r0=6.3697 { 3 304 } #!CB name="LJ C3 C304" interaction lennardjones f=0.00106 r0=6.3697 { 3 305 } #!CB name="LJ C3 C305" interaction lennardjones f=0.00106 r0=6.3697 { 3 400 } #!CB name="LJ C3 C400" interaction lennardjones f=0.00106 r0=6.3697 { 3 401 } #!CB name="LJ C3 C401" interaction lennardjones f=0.00106 r0=6.3697 { 3 402 } #!CB name="LJ C3 C402" interaction lennardjones f=0.00106 r0=6.3697 { 3 403 } #!CB name="LJ C3 C403" interaction lennardjones f=0.00106 r0=6.3697 { 3 404 } #!CB name="LJ C3 C404" interaction lennardjones f=0.00106 r0=6.3697 { 3 405 } #!CB name="LJ C3 C405" interaction lennardjones f=0.00106 r0=6.3697 { 3 500 } #!CB name="LJ C3 C500" interaction lennardjones f=0.00106 r0=6.3697 { 3 501 } #!CB name="LJ C3 C501" interaction lennardjones f=0.00106 r0=6.3697 { 3 502 } #!CB name="LJ C3 C502" interaction lennardjones f=0.00106 r0=6.3697 { 3 503 } #!CB name="LJ C3 C503" interaction lennardjones f=0.00106 r0=6.3697 { 3 504 } #!CB name="LJ C3 C504" interaction lennardjones f=0.00106 r0=6.3697 { 3 505 } #!CB name="LJ C3 C505" interaction lennardjones f=0.00106 r0=6.3697 { 3 600 } #!CB name="LJ C3 C600" interaction lennardjones f=0.00106 r0=6.3697 { 3 601 } #!CB name="LJ C3 C601" interaction lennardjones f=0.00106 r0=6.3697 { 3 602 } #!CB name="LJ C3 C602" interaction lennardjones f=0.00106 r0=6.3697 { 3 603 } #!CB name="LJ C3 C603" interaction lennardjones f=0.00106 r0=6.3697 { 3 604 } #!CB name="LJ C3 C604" interaction lennardjones f=0.00106 r0=6.3697 { 3 605 } #!CB name="LJ C3 C605" interaction lennardjones f=0.00106 r0=6.3697 { 3 700 } #!CB name="LJ C3 C700" interaction lennardjones f=0.00106 r0=6.3697 { 3 701 } #!CB name="LJ C3 C701" interaction lennardjones f=0.00106 r0=6.3697 { 3 702 } #!CB name="LJ C3 C702" interaction lennardjones f=0.00106 r0=6.3697 { 3 703 } #!CB name="LJ C3 C703" interaction lennardjones f=0.00106 r0=6.3697 { 3 704 } #!CB name="LJ C3 C704" interaction lennardjones f=0.00106 r0=6.3697 { 3 705 } #!CB name="LJ C3 C705" interaction lennardjones f=0.00106 r0=6.3697 { 4 100 } #!CB name="LJ C4 C100" interaction lennardjones f=0.00106 r0=6.3697 { 4 101 } #!CB name="LJ C4 C101" interaction lennardjones f=0.00106 r0=6.3697 { 4 102 } #!CB name="LJ C4 C102" interaction lennardjones f=0.00106 r0=6.3697 { 4 103 } #!CB name="LJ C4 C103" interaction lennardjones f=0.00106 r0=6.3697 { 4 104 } #!CB name="LJ C4 C104" interaction lennardjones f=0.00106 r0=6.3697 { 4 105 } #!CB name="LJ C4 C105" interaction lennardjones f=0.00106 r0=6.3697 { 4 200 } #!CB name="LJ C4 C200" interaction lennardjones f=0.00106 r0=6.3697 { 4 201 } #!CB name="LJ C4 C201" interaction lennardjones f=0.00106 r0=6.3697 { 4 202 } #!CB name="LJ C4 C202" interaction lennardjones f=0.00106 r0=6.3697 { 4 203 } #!CB name="LJ C4 C203" interaction lennardjones f=0.00106 r0=6.3697 { 4 204 } #!CB name="LJ C4 C204" interaction lennardjones f=0.00106 r0=6.3697 { 4 205 } #!CB name="LJ C4 C205" interaction lennardjones f=0.00106 r0=6.3697 { 4 300 } #!CB name="LJ C4 C300" interaction lennardjones f=0.00106 r0=6.3697 { 4 301 } #!CB name="LJ C4 C301" interaction lennardjones f=0.00106 r0=6.3697 { 4 302 } #!CB name="LJ C4 C302" interaction lennardjones f=0.00106 r0=6.3697 { 4 303 } #!CB name="LJ C4 C303" interaction lennardjones f=0.00106 r0=6.3697 { 4 304 } #!CB name="LJ C4 C304" interaction lennardjones f=0.00106 r0=6.3697 { 4 305 } #!CB name="LJ C4 C305" interaction lennardjones f=0.00106 r0=6.3697 { 4 400 } #!CB name="LJ C4 C400" interaction lennardjones f=0.00106 r0=6.3697 { 4 401 } #!CB name="LJ C4 C401" interaction lennardjones f=0.00106 r0=6.3697 { 4 402 } #!CB name="LJ C4 C402" interaction lennardjones f=0.00106 r0=6.3697 { 4 403 } #!CB name="LJ C4 C403" interaction lennardjones f=0.00106 r0=6.3697 { 4 404 } #!CB name="LJ C4 C404" interaction lennardjones f=0.00106 r0=6.3697 { 4 405 } #!CB name="LJ C4 C405" interaction lennardjones f=0.00106 r0=6.3697 { 4 500 } #!CB name="LJ C4 C500" interaction lennardjones f=0.00106 r0=6.3697 { 4 501 } #!CB name="LJ C4 C501" interaction lennardjones f=0.00106 r0=6.3697 { 4 502 } #!CB name="LJ C4 C502" interaction lennardjones f=0.00106 r0=6.3697 { 4 503 } #!CB name="LJ C4 C503" interaction lennardjones f=0.00106 r0=6.3697 { 4 504 } #!CB name="LJ C4 C504" interaction lennardjones f=0.00106 r0=6.3697 { 4 505 } #!CB name="LJ C4 C505" interaction lennardjones f=0.00106 r0=6.3697 { 4 600 } #!CB name="LJ C4 C600" interaction lennardjones f=0.00106 r0=6.3697 { 4 601 } #!CB name="LJ C4 C601" interaction lennardjones f=0.00106 r0=6.3697 { 4 602 } #!CB name="LJ C4 C602" interaction lennardjones f=0.00106 r0=6.3697 { 4 603 } #!CB name="LJ C4 C603" interaction lennardjones f=0.00106 r0=6.3697 { 4 604 } #!CB name="LJ C4 C604" interaction lennardjones f=0.00106 r0=6.3697 { 4 605 } #!CB name="LJ C4 C605" interaction lennardjones f=0.00106 r0=6.3697 { 4 700 } #!CB name="LJ C4 C700" interaction lennardjones f=0.00106 r0=6.3697 { 4 701 } #!CB name="LJ C4 C701" interaction lennardjones f=0.00106 r0=6.3697 { 4 702 } #!CB name="LJ C4 C702" interaction lennardjones f=0.00106 r0=6.3697 { 4 703 } #!CB name="LJ C4 C703" interaction lennardjones f=0.00106 r0=6.3697 { 4 704 } #!CB name="LJ C4 C704" interaction lennardjones f=0.00106 r0=6.3697 { 4 705 } #!CB name="LJ C4 C705" interaction lennardjones f=0.00106 r0=6.3697 { 5 100 } #!CB name="LJ C5 C100" interaction lennardjones f=0.00106 r0=6.3697 { 5 101 } #!CB name="LJ C5 C101" interaction lennardjones f=0.00106 r0=6.3697 { 5 102 } #!CB name="LJ C5 C102" interaction lennardjones f=0.00106 r0=6.3697 { 5 103 } #!CB name="LJ C5 C103" interaction lennardjones f=0.00106 r0=6.3697 { 5 104 } #!CB name="LJ C5 C104" interaction lennardjones f=0.00106 r0=6.3697 { 5 105 } #!CB name="LJ C5 C105" interaction lennardjones f=0.00106 r0=6.3697 { 5 200 } #!CB name="LJ C5 C200" interaction lennardjones f=0.00106 r0=6.3697 { 5 201 } #!CB name="LJ C5 C201" interaction lennardjones f=0.00106 r0=6.3697 { 5 202 } #!CB name="LJ C5 C202" interaction lennardjones f=0.00106 r0=6.3697 { 5 203 } #!CB name="LJ C5 C203" interaction lennardjones f=0.00106 r0=6.3697 { 5 204 } #!CB name="LJ C5 C204" interaction lennardjones f=0.00106 r0=6.3697 { 5 205 } #!CB name="LJ C5 C205" interaction lennardjones f=0.00106 r0=6.3697 { 5 300 } #!CB name="LJ C5 C300" interaction lennardjones f=0.00106 r0=6.3697 { 5 301 } #!CB name="LJ C5 C301" interaction lennardjones f=0.00106 r0=6.3697 { 5 302 } #!CB name="LJ C5 C302" interaction lennardjones f=0.00106 r0=6.3697 { 5 303 } #!CB name="LJ C5 C303" interaction lennardjones f=0.00106 r0=6.3697 { 5 304 } #!CB name="LJ C5 C304" interaction lennardjones f=0.00106 r0=6.3697 { 5 305 } #!CB name="LJ C5 C305" interaction lennardjones f=0.00106 r0=6.3697 { 5 400 } #!CB name="LJ C5 C400" interaction lennardjones f=0.00106 r0=6.3697 { 5 401 } #!CB name="LJ C5 C401" interaction lennardjones f=0.00106 r0=6.3697 { 5 402 } #!CB name="LJ C5 C402" interaction lennardjones f=0.00106 r0=6.3697 { 5 403 } #!CB name="LJ C5 C403" interaction lennardjones f=0.00106 r0=6.3697 { 5 404 } #!CB name="LJ C5 C404" interaction lennardjones f=0.00106 r0=6.3697 { 5 405 } #!CB name="LJ C5 C405" interaction lennardjones f=0.00106 r0=6.3697 { 5 500 } #!CB name="LJ C5 C500" interaction lennardjones f=0.00106 r0=6.3697 { 5 501 } #!CB name="LJ C5 C501" interaction lennardjones f=0.00106 r0=6.3697 { 5 502 } #!CB name="LJ C5 C502" interaction lennardjones f=0.00106 r0=6.3697 { 5 503 } #!CB name="LJ C5 C503" interaction lennardjones f=0.00106 r0=6.3697 { 5 504 } #!CB name="LJ C5 C504" interaction lennardjones f=0.00106 r0=6.3697 { 5 505 } #!CB name="LJ C5 C505" interaction lennardjones f=0.00106 r0=6.3697 { 5 600 } #!CB name="LJ C5 C600" interaction lennardjones f=0.00106 r0=6.3697 { 5 601 } #!CB name="LJ C5 C601" interaction lennardjones f=0.00106 r0=6.3697 { 5 602 } #!CB name="LJ C5 C602" interaction lennardjones f=0.00106 r0=6.3697 { 5 603 } #!CB name="LJ C5 C603" interaction lennardjones f=0.00106 r0=6.3697 { 5 604 } #!CB name="LJ C5 C604" interaction lennardjones f=0.00106 r0=6.3697 { 5 605 } #!CB name="LJ C5 C605" interaction lennardjones f=0.00106 r0=6.3697 { 5 700 } #!CB name="LJ C5 C700" interaction lennardjones f=0.00106 r0=6.3697 { 5 701 } #!CB name="LJ C5 C701" interaction lennardjones f=0.00106 r0=6.3697 { 5 702 } #!CB name="LJ C5 C702" interaction lennardjones f=0.00106 r0=6.3697 { 5 703 } #!CB name="LJ C5 C703" interaction lennardjones f=0.00106 r0=6.3697 { 5 704 } #!CB name="LJ C5 C704" interaction lennardjones f=0.00106 r0=6.3697 { 5 705 } #!CB name="LJ C5 C705" interaction lennardjones f=0.00106 r0=6.3697 { 100 200 } #!CB name="LJ C100 C200" interaction lennardjones f=0.00106 r0=6.3697 { 100 201 } #!CB name="LJ C100 C201" interaction lennardjones f=0.00106 r0=6.3697 { 100 202 } #!CB name="LJ C100 C202" interaction lennardjones f=0.00106 r0=6.3697 { 100 203 } #!CB name="LJ C100 C203" interaction lennardjones f=0.00106 r0=6.3697 { 100 204 } #!CB name="LJ C100 C204" interaction lennardjones f=0.00106 r0=6.3697 { 100 205 } #!CB name="LJ C100 C205" interaction lennardjones f=0.00106 r0=6.3697 { 100 300 } #!CB name="LJ C100 C300" interaction lennardjones f=0.00106 r0=6.3697 { 100 301 } #!CB name="LJ C100 C301" interaction lennardjones f=0.00106 r0=6.3697 { 100 302 } #!CB name="LJ C100 C302" interaction lennardjones f=0.00106 r0=6.3697 { 100 303 } #!CB name="LJ C100 C303" interaction lennardjones f=0.00106 r0=6.3697 { 100 304 } #!CB name="LJ C100 C304" interaction lennardjones f=0.00106 r0=6.3697 { 100 305 } #!CB name="LJ C100 C305" interaction lennardjones f=0.00106 r0=6.3697 { 100 400 } #!CB name="LJ C100 C400" interaction lennardjones f=0.00106 r0=6.3697 { 100 401 } #!CB name="LJ C100 C401" interaction lennardjones f=0.00106 r0=6.3697 { 100 402 } #!CB name="LJ C100 C402" interaction lennardjones f=0.00106 r0=6.3697 { 100 403 } #!CB name="LJ C100 C403" interaction lennardjones f=0.00106 r0=6.3697 { 100 404 } #!CB name="LJ C100 C404" interaction lennardjones f=0.00106 r0=6.3697 { 100 405 } #!CB name="LJ C100 C405" interaction lennardjones f=0.00106 r0=6.3697 { 100 500 } #!CB name="LJ C100 C500" interaction lennardjones f=0.00106 r0=6.3697 { 100 501 } #!CB name="LJ C100 C501" interaction lennardjones f=0.00106 r0=6.3697 { 100 502 } #!CB name="LJ C100 C502" interaction lennardjones f=0.00106 r0=6.3697 { 100 503 } #!CB name="LJ C100 C503" interaction lennardjones f=0.00106 r0=6.3697 { 100 504 } #!CB name="LJ C100 C504" interaction lennardjones f=0.00106 r0=6.3697 { 100 505 } #!CB name="LJ C100 C505" interaction lennardjones f=0.00106 r0=6.3697 { 100 600 } #!CB name="LJ C100 C600" interaction lennardjones f=0.00106 r0=6.3697 { 100 601 } #!CB name="LJ C100 C601" interaction lennardjones f=0.00106 r0=6.3697 { 100 602 } #!CB name="LJ C100 C602" interaction lennardjones f=0.00106 r0=6.3697 { 100 603 } #!CB name="LJ C100 C603" interaction lennardjones f=0.00106 r0=6.3697 { 100 604 } #!CB name="LJ C100 C604" interaction lennardjones f=0.00106 r0=6.3697 { 100 605 } #!CB name="LJ C100 C605" interaction lennardjones f=0.00106 r0=6.3697 { 100 700 } #!CB name="LJ C100 C700" interaction lennardjones f=0.00106 r0=6.3697 { 100 701 } #!CB name="LJ C100 C701" interaction lennardjones f=0.00106 r0=6.3697 { 100 702 } #!CB name="LJ C100 C702" interaction lennardjones f=0.00106 r0=6.3697 { 100 703 } #!CB name="LJ C100 C703" interaction lennardjones f=0.00106 r0=6.3697 { 100 704 } #!CB name="LJ C100 C704" interaction lennardjones f=0.00106 r0=6.3697 { 100 705 } #!CB name="LJ C100 C705" interaction lennardjones f=0.00106 r0=6.3697 { 101 200 } #!CB name="LJ C101 C200" interaction lennardjones f=0.00106 r0=6.3697 { 101 201 } #!CB name="LJ C101 C201" interaction lennardjones f=0.00106 r0=6.3697 { 101 202 } #!CB name="LJ C101 C202" interaction lennardjones f=0.00106 r0=6.3697 { 101 203 } #!CB name="LJ C101 C203" interaction lennardjones f=0.00106 r0=6.3697 { 101 204 } #!CB name="LJ C101 C204" interaction lennardjones f=0.00106 r0=6.3697 { 101 205 } #!CB name="LJ C101 C205" interaction lennardjones f=0.00106 r0=6.3697 { 101 300 } #!CB name="LJ C101 C300" interaction lennardjones f=0.00106 r0=6.3697 { 101 301 } #!CB name="LJ C101 C301" interaction lennardjones f=0.00106 r0=6.3697 { 101 302 } #!CB name="LJ C101 C302" interaction lennardjones f=0.00106 r0=6.3697 { 101 303 } #!CB name="LJ C101 C303" interaction lennardjones f=0.00106 r0=6.3697 { 101 304 } #!CB name="LJ C101 C304" interaction lennardjones f=0.00106 r0=6.3697 { 101 305 } #!CB name="LJ C101 C305" interaction lennardjones f=0.00106 r0=6.3697 { 101 400 } #!CB name="LJ C101 C400" interaction lennardjones f=0.00106 r0=6.3697 { 101 401 } #!CB name="LJ C101 C401" interaction lennardjones f=0.00106 r0=6.3697 { 101 402 } #!CB name="LJ C101 C402" interaction lennardjones f=0.00106 r0=6.3697 { 101 403 } #!CB name="LJ C101 C403" interaction lennardjones f=0.00106 r0=6.3697 { 101 404 } #!CB name="LJ C101 C404" interaction lennardjones f=0.00106 r0=6.3697 { 101 405 } #!CB name="LJ C101 C405" interaction lennardjones f=0.00106 r0=6.3697 { 101 500 } #!CB name="LJ C101 C500" interaction lennardjones f=0.00106 r0=6.3697 { 101 501 } #!CB name="LJ C101 C501" interaction lennardjones f=0.00106 r0=6.3697 { 101 502 } #!CB name="LJ C101 C502" interaction lennardjones f=0.00106 r0=6.3697 { 101 503 } #!CB name="LJ C101 C503" interaction lennardjones f=0.00106 r0=6.3697 { 101 504 } #!CB name="LJ C101 C504" interaction lennardjones f=0.00106 r0=6.3697 { 101 505 } #!CB name="LJ C101 C505" interaction lennardjones f=0.00106 r0=6.3697 { 101 600 } #!CB name="LJ C101 C600" interaction lennardjones f=0.00106 r0=6.3697 { 101 601 } #!CB name="LJ C101 C601" interaction lennardjones f=0.00106 r0=6.3697 { 101 602 } #!CB name="LJ C101 C602" interaction lennardjones f=0.00106 r0=6.3697 { 101 603 } #!CB name="LJ C101 C603" interaction lennardjones f=0.00106 r0=6.3697 { 101 604 } #!CB name="LJ C101 C604" interaction lennardjones f=0.00106 r0=6.3697 { 101 605 } #!CB name="LJ C101 C605" interaction lennardjones f=0.00106 r0=6.3697 { 101 700 } #!CB name="LJ C101 C700" interaction lennardjones f=0.00106 r0=6.3697 { 101 701 } #!CB name="LJ C101 C701" interaction lennardjones f=0.00106 r0=6.3697 { 101 702 } #!CB name="LJ C101 C702" interaction lennardjones f=0.00106 r0=6.3697 { 101 703 } #!CB name="LJ C101 C703" interaction lennardjones f=0.00106 r0=6.3697 { 101 704 } #!CB name="LJ C101 C704" interaction lennardjones f=0.00106 r0=6.3697 { 101 705 } #!CB name="LJ C101 C705" interaction lennardjones f=0.00106 r0=6.3697 { 102 200 } #!CB name="LJ C102 C200" interaction lennardjones f=0.00106 r0=6.3697 { 102 201 } #!CB name="LJ C102 C201" interaction lennardjones f=0.00106 r0=6.3697 { 102 202 } #!CB name="LJ C102 C202" interaction lennardjones f=0.00106 r0=6.3697 { 102 203 } #!CB name="LJ C102 C203" interaction lennardjones f=0.00106 r0=6.3697 { 102 204 } #!CB name="LJ C102 C204" interaction lennardjones f=0.00106 r0=6.3697 { 102 205 } #!CB name="LJ C102 C205" interaction lennardjones f=0.00106 r0=6.3697 { 102 300 } #!CB name="LJ C102 C300" interaction lennardjones f=0.00106 r0=6.3697 { 102 301 } #!CB name="LJ C102 C301" interaction lennardjones f=0.00106 r0=6.3697 { 102 302 } #!CB name="LJ C102 C302" interaction lennardjones f=0.00106 r0=6.3697 { 102 303 } #!CB name="LJ C102 C303" interaction lennardjones f=0.00106 r0=6.3697 { 102 304 } #!CB name="LJ C102 C304" interaction lennardjones f=0.00106 r0=6.3697 { 102 305 } #!CB name="LJ C102 C305" interaction lennardjones f=0.00106 r0=6.3697 { 102 400 } #!CB name="LJ C102 C400" interaction lennardjones f=0.00106 r0=6.3697 { 102 401 } #!CB name="LJ C102 C401" interaction lennardjones f=0.00106 r0=6.3697 { 102 402 } #!CB name="LJ C102 C402" interaction lennardjones f=0.00106 r0=6.3697 { 102 403 } #!CB name="LJ C102 C403" interaction lennardjones f=0.00106 r0=6.3697 { 102 404 } #!CB name="LJ C102 C404" interaction lennardjones f=0.00106 r0=6.3697 { 102 405 } #!CB name="LJ C102 C405" interaction lennardjones f=0.00106 r0=6.3697 { 102 500 } #!CB name="LJ C102 C500" interaction lennardjones f=0.00106 r0=6.3697 { 102 501 } #!CB name="LJ C102 C501" interaction lennardjones f=0.00106 r0=6.3697 { 102 502 } #!CB name="LJ C102 C502" interaction lennardjones f=0.00106 r0=6.3697 { 102 503 } #!CB name="LJ C102 C503" interaction lennardjones f=0.00106 r0=6.3697 { 102 504 } #!CB name="LJ C102 C504" interaction lennardjones f=0.00106 r0=6.3697 { 102 505 } #!CB name="LJ C102 C505" interaction lennardjones f=0.00106 r0=6.3697 { 102 600 } #!CB name="LJ C102 C600" interaction lennardjones f=0.00106 r0=6.3697 { 102 601 } #!CB name="LJ C102 C601" interaction lennardjones f=0.00106 r0=6.3697 { 102 602 } #!CB name="LJ C102 C602" interaction lennardjones f=0.00106 r0=6.3697 { 102 603 } #!CB name="LJ C102 C603" interaction lennardjones f=0.00106 r0=6.3697 { 102 604 } #!CB name="LJ C102 C604" interaction lennardjones f=0.00106 r0=6.3697 { 102 605 } #!CB name="LJ C102 C605" interaction lennardjones f=0.00106 r0=6.3697 { 102 700 } #!CB name="LJ C102 C700" interaction lennardjones f=0.00106 r0=6.3697 { 102 701 } #!CB name="LJ C102 C701" interaction lennardjones f=0.00106 r0=6.3697 { 102 702 } #!CB name="LJ C102 C702" interaction lennardjones f=0.00106 r0=6.3697 { 102 703 } #!CB name="LJ C102 C703" interaction lennardjones f=0.00106 r0=6.3697 { 102 704 } #!CB name="LJ C102 C704" interaction lennardjones f=0.00106 r0=6.3697 { 102 705 } #!CB name="LJ C102 C705" interaction lennardjones f=0.00106 r0=6.3697 { 103 200 } #!CB name="LJ C103 C200" interaction lennardjones f=0.00106 r0=6.3697 { 103 201 } #!CB name="LJ C103 C201" interaction lennardjones f=0.00106 r0=6.3697 { 103 202 } #!CB name="LJ C103 C202" interaction lennardjones f=0.00106 r0=6.3697 { 103 203 } #!CB name="LJ C103 C203" interaction lennardjones f=0.00106 r0=6.3697 { 103 204 } #!CB name="LJ C103 C204" interaction lennardjones f=0.00106 r0=6.3697 { 103 205 } #!CB name="LJ C103 C205" interaction lennardjones f=0.00106 r0=6.3697 { 103 300 } #!CB name="LJ C103 C300" interaction lennardjones f=0.00106 r0=6.3697 { 103 301 } #!CB name="LJ C103 C301" interaction lennardjones f=0.00106 r0=6.3697 { 103 302 } #!CB name="LJ C103 C302" interaction lennardjones f=0.00106 r0=6.3697 { 103 303 } #!CB name="LJ C103 C303" interaction lennardjones f=0.00106 r0=6.3697 { 103 304 } #!CB name="LJ C103 C304" interaction lennardjones f=0.00106 r0=6.3697 { 103 305 } #!CB name="LJ C103 C305" interaction lennardjones f=0.00106 r0=6.3697 { 103 400 } #!CB name="LJ C103 C400" interaction lennardjones f=0.00106 r0=6.3697 { 103 401 } #!CB name="LJ C103 C401" interaction lennardjones f=0.00106 r0=6.3697 { 103 402 } #!CB name="LJ C103 C402" interaction lennardjones f=0.00106 r0=6.3697 { 103 403 } #!CB name="LJ C103 C403" interaction lennardjones f=0.00106 r0=6.3697 { 103 404 } #!CB name="LJ C103 C404" interaction lennardjones f=0.00106 r0=6.3697 { 103 405 } #!CB name="LJ C103 C405" interaction lennardjones f=0.00106 r0=6.3697 { 103 500 } #!CB name="LJ C103 C500" interaction lennardjones f=0.00106 r0=6.3697 { 103 501 } #!CB name="LJ C103 C501" interaction lennardjones f=0.00106 r0=6.3697 { 103 502 } #!CB name="LJ C103 C502" interaction lennardjones f=0.00106 r0=6.3697 { 103 503 } #!CB name="LJ C103 C503" interaction lennardjones f=0.00106 r0=6.3697 { 103 504 } #!CB name="LJ C103 C504" interaction lennardjones f=0.00106 r0=6.3697 { 103 505 } #!CB name="LJ C103 C505" interaction lennardjones f=0.00106 r0=6.3697 { 103 600 } #!CB name="LJ C103 C600" interaction lennardjones f=0.00106 r0=6.3697 { 103 601 } #!CB name="LJ C103 C601" interaction lennardjones f=0.00106 r0=6.3697 { 103 602 } #!CB name="LJ C103 C602" interaction lennardjones f=0.00106 r0=6.3697 { 103 603 } #!CB name="LJ C103 C603" interaction lennardjones f=0.00106 r0=6.3697 { 103 604 } #!CB name="LJ C103 C604" interaction lennardjones f=0.00106 r0=6.3697 { 103 605 } #!CB name="LJ C103 C605" interaction lennardjones f=0.00106 r0=6.3697 { 103 700 } #!CB name="LJ C103 C700" interaction lennardjones f=0.00106 r0=6.3697 { 103 701 } #!CB name="LJ C103 C701" interaction lennardjones f=0.00106 r0=6.3697 { 103 702 } #!CB name="LJ C103 C702" interaction lennardjones f=0.00106 r0=6.3697 { 103 703 } #!CB name="LJ C103 C703" interaction lennardjones f=0.00106 r0=6.3697 { 103 704 } #!CB name="LJ C103 C704" interaction lennardjones f=0.00106 r0=6.3697 { 103 705 } #!CB name="LJ C103 C705" interaction lennardjones f=0.00106 r0=6.3697 { 104 200 } #!CB name="LJ C104 C200" interaction lennardjones f=0.00106 r0=6.3697 { 104 201 } #!CB name="LJ C104 C201" interaction lennardjones f=0.00106 r0=6.3697 { 104 202 } #!CB name="LJ C104 C202" interaction lennardjones f=0.00106 r0=6.3697 { 104 203 } #!CB name="LJ C104 C203" interaction lennardjones f=0.00106 r0=6.3697 { 104 204 } #!CB name="LJ C104 C204" interaction lennardjones f=0.00106 r0=6.3697 { 104 205 } #!CB name="LJ C104 C205" interaction lennardjones f=0.00106 r0=6.3697 { 104 300 } #!CB name="LJ C104 C300" interaction lennardjones f=0.00106 r0=6.3697 { 104 301 } #!CB name="LJ C104 C301" interaction lennardjones f=0.00106 r0=6.3697 { 104 302 } #!CB name="LJ C104 C302" interaction lennardjones f=0.00106 r0=6.3697 { 104 303 } #!CB name="LJ C104 C303" interaction lennardjones f=0.00106 r0=6.3697 { 104 304 } #!CB name="LJ C104 C304" interaction lennardjones f=0.00106 r0=6.3697 { 104 305 } #!CB name="LJ C104 C305" interaction lennardjones f=0.00106 r0=6.3697 { 104 400 } #!CB name="LJ C104 C400" interaction lennardjones f=0.00106 r0=6.3697 { 104 401 } #!CB name="LJ C104 C401" interaction lennardjones f=0.00106 r0=6.3697 { 104 402 } #!CB name="LJ C104 C402" interaction lennardjones f=0.00106 r0=6.3697 { 104 403 } #!CB name="LJ C104 C403" interaction lennardjones f=0.00106 r0=6.3697 { 104 404 } #!CB name="LJ C104 C404" interaction lennardjones f=0.00106 r0=6.3697 { 104 405 } #!CB name="LJ C104 C405" interaction lennardjones f=0.00106 r0=6.3697 { 104 500 } #!CB name="LJ C104 C500" interaction lennardjones f=0.00106 r0=6.3697 { 104 501 } #!CB name="LJ C104 C501" interaction lennardjones f=0.00106 r0=6.3697 { 104 502 } #!CB name="LJ C104 C502" interaction lennardjones f=0.00106 r0=6.3697 { 104 503 } #!CB name="LJ C104 C503" interaction lennardjones f=0.00106 r0=6.3697 { 104 504 } #!CB name="LJ C104 C504" interaction lennardjones f=0.00106 r0=6.3697 { 104 505 } #!CB name="LJ C104 C505" interaction lennardjones f=0.00106 r0=6.3697 { 104 600 } #!CB name="LJ C104 C600" interaction lennardjones f=0.00106 r0=6.3697 { 104 601 } #!CB name="LJ C104 C601" interaction lennardjones f=0.00106 r0=6.3697 { 104 602 } #!CB name="LJ C104 C602" interaction lennardjones f=0.00106 r0=6.3697 { 104 603 } #!CB name="LJ C104 C603" interaction lennardjones f=0.00106 r0=6.3697 { 104 604 } #!CB name="LJ C104 C604" interaction lennardjones f=0.00106 r0=6.3697 { 104 605 } #!CB name="LJ C104 C605" interaction lennardjones f=0.00106 r0=6.3697 { 104 700 } #!CB name="LJ C104 C700" interaction lennardjones f=0.00106 r0=6.3697 { 104 701 } #!CB name="LJ C104 C701" interaction lennardjones f=0.00106 r0=6.3697 { 104 702 } #!CB name="LJ C104 C702" interaction lennardjones f=0.00106 r0=6.3697 { 104 703 } #!CB name="LJ C104 C703" interaction lennardjones f=0.00106 r0=6.3697 { 104 704 } #!CB name="LJ C104 C704" interaction lennardjones f=0.00106 r0=6.3697 { 104 705 } #!CB name="LJ C104 C705" interaction lennardjones f=0.00106 r0=6.3697 { 105 200 } #!CB name="LJ C105 C200" interaction lennardjones f=0.00106 r0=6.3697 { 105 201 } #!CB name="LJ C105 C201" interaction lennardjones f=0.00106 r0=6.3697 { 105 202 } #!CB name="LJ C105 C202" interaction lennardjones f=0.00106 r0=6.3697 { 105 203 } #!CB name="LJ C105 C203" interaction lennardjones f=0.00106 r0=6.3697 { 105 204 } #!CB name="LJ C105 C204" interaction lennardjones f=0.00106 r0=6.3697 { 105 205 } #!CB name="LJ C105 C205" interaction lennardjones f=0.00106 r0=6.3697 { 105 300 } #!CB name="LJ C105 C300" interaction lennardjones f=0.00106 r0=6.3697 { 105 301 } #!CB name="LJ C105 C301" interaction lennardjones f=0.00106 r0=6.3697 { 105 302 } #!CB name="LJ C105 C302" interaction lennardjones f=0.00106 r0=6.3697 { 105 303 } #!CB name="LJ C105 C303" interaction lennardjones f=0.00106 r0=6.3697 { 105 304 } #!CB name="LJ C105 C304" interaction lennardjones f=0.00106 r0=6.3697 { 105 305 } #!CB name="LJ C105 C305" interaction lennardjones f=0.00106 r0=6.3697 { 105 400 } #!CB name="LJ C105 C400" interaction lennardjones f=0.00106 r0=6.3697 { 105 401 } #!CB name="LJ C105 C401" interaction lennardjones f=0.00106 r0=6.3697 { 105 402 } #!CB name="LJ C105 C402" interaction lennardjones f=0.00106 r0=6.3697 { 105 403 } #!CB name="LJ C105 C403" interaction lennardjones f=0.00106 r0=6.3697 { 105 404 } #!CB name="LJ C105 C404" interaction lennardjones f=0.00106 r0=6.3697 { 105 405 } #!CB name="LJ C105 C405" interaction lennardjones f=0.00106 r0=6.3697 { 105 500 } #!CB name="LJ C105 C500" interaction lennardjones f=0.00106 r0=6.3697 { 105 501 } #!CB name="LJ C105 C501" interaction lennardjones f=0.00106 r0=6.3697 { 105 502 } #!CB name="LJ C105 C502" interaction lennardjones f=0.00106 r0=6.3697 { 105 503 } #!CB name="LJ C105 C503" interaction lennardjones f=0.00106 r0=6.3697 { 105 504 } #!CB name="LJ C105 C504" interaction lennardjones f=0.00106 r0=6.3697 { 105 505 } #!CB name="LJ C105 C505" interaction lennardjones f=0.00106 r0=6.3697 { 105 600 } #!CB name="LJ C105 C600" interaction lennardjones f=0.00106 r0=6.3697 { 105 601 } #!CB name="LJ C105 C601" interaction lennardjones f=0.00106 r0=6.3697 { 105 602 } #!CB name="LJ C105 C602" interaction lennardjones f=0.00106 r0=6.3697 { 105 603 } #!CB name="LJ C105 C603" interaction lennardjones f=0.00106 r0=6.3697 { 105 604 } #!CB name="LJ C105 C604" interaction lennardjones f=0.00106 r0=6.3697 { 105 605 } #!CB name="LJ C105 C605" interaction lennardjones f=0.00106 r0=6.3697 { 105 700 } #!CB name="LJ C105 C700" interaction lennardjones f=0.00106 r0=6.3697 { 105 701 } #!CB name="LJ C105 C701" interaction lennardjones f=0.00106 r0=6.3697 { 105 702 } #!CB name="LJ C105 C702" interaction lennardjones f=0.00106 r0=6.3697 { 105 703 } #!CB name="LJ C105 C703" interaction lennardjones f=0.00106 r0=6.3697 { 105 704 } #!CB name="LJ C105 C704" interaction lennardjones f=0.00106 r0=6.3697 { 105 705 } #!CB name="LJ C105 C705" interaction lennardjones f=0.00106 r0=6.3697 { 200 300 } #!CB name="LJ C200 C300" interaction lennardjones f=0.00106 r0=6.3697 { 200 301 } #!CB name="LJ C200 C301" interaction lennardjones f=0.00106 r0=6.3697 { 200 302 } #!CB name="LJ C200 C302" interaction lennardjones f=0.00106 r0=6.3697 { 200 303 } #!CB name="LJ C200 C303" interaction lennardjones f=0.00106 r0=6.3697 { 200 304 } #!CB name="LJ C200 C304" interaction lennardjones f=0.00106 r0=6.3697 { 200 305 } #!CB name="LJ C200 C305" interaction lennardjones f=0.00106 r0=6.3697 { 200 400 } #!CB name="LJ C200 C400" interaction lennardjones f=0.00106 r0=6.3697 { 200 401 } #!CB name="LJ C200 C401" interaction lennardjones f=0.00106 r0=6.3697 { 200 402 } #!CB name="LJ C200 C402" interaction lennardjones f=0.00106 r0=6.3697 { 200 403 } #!CB name="LJ C200 C403" interaction lennardjones f=0.00106 r0=6.3697 { 200 404 } #!CB name="LJ C200 C404" interaction lennardjones f=0.00106 r0=6.3697 { 200 405 } #!CB name="LJ C200 C405" interaction lennardjones f=0.00106 r0=6.3697 { 200 500 } #!CB name="LJ C200 C500" interaction lennardjones f=0.00106 r0=6.3697 { 200 501 } #!CB name="LJ C200 C501" interaction lennardjones f=0.00106 r0=6.3697 { 200 502 } #!CB name="LJ C200 C502" interaction lennardjones f=0.00106 r0=6.3697 { 200 503 } #!CB name="LJ C200 C503" interaction lennardjones f=0.00106 r0=6.3697 { 200 504 } #!CB name="LJ C200 C504" interaction lennardjones f=0.00106 r0=6.3697 { 200 505 } #!CB name="LJ C200 C505" interaction lennardjones f=0.00106 r0=6.3697 { 200 600 } #!CB name="LJ C200 C600" interaction lennardjones f=0.00106 r0=6.3697 { 200 601 } #!CB name="LJ C200 C601" interaction lennardjones f=0.00106 r0=6.3697 { 200 602 } #!CB name="LJ C200 C602" interaction lennardjones f=0.00106 r0=6.3697 { 200 603 } #!CB name="LJ C200 C603" interaction lennardjones f=0.00106 r0=6.3697 { 200 604 } #!CB name="LJ C200 C604" interaction lennardjones f=0.00106 r0=6.3697 { 200 605 } #!CB name="LJ C200 C605" interaction lennardjones f=0.00106 r0=6.3697 { 200 700 } #!CB name="LJ C200 C700" interaction lennardjones f=0.00106 r0=6.3697 { 200 701 } #!CB name="LJ C200 C701" interaction lennardjones f=0.00106 r0=6.3697 { 200 702 } #!CB name="LJ C200 C702" interaction lennardjones f=0.00106 r0=6.3697 { 200 703 } #!CB name="LJ C200 C703" interaction lennardjones f=0.00106 r0=6.3697 { 200 704 } #!CB name="LJ C200 C704" interaction lennardjones f=0.00106 r0=6.3697 { 200 705 } #!CB name="LJ C200 C705" interaction lennardjones f=0.00106 r0=6.3697 { 201 300 } #!CB name="LJ C201 C300" interaction lennardjones f=0.00106 r0=6.3697 { 201 301 } #!CB name="LJ C201 C301" interaction lennardjones f=0.00106 r0=6.3697 { 201 302 } #!CB name="LJ C201 C302" interaction lennardjones f=0.00106 r0=6.3697 { 201 303 } #!CB name="LJ C201 C303" interaction lennardjones f=0.00106 r0=6.3697 { 201 304 } #!CB name="LJ C201 C304" interaction lennardjones f=0.00106 r0=6.3697 { 201 305 } #!CB name="LJ C201 C305" interaction lennardjones f=0.00106 r0=6.3697 { 201 400 } #!CB name="LJ C201 C400" interaction lennardjones f=0.00106 r0=6.3697 { 201 401 } #!CB name="LJ C201 C401" interaction lennardjones f=0.00106 r0=6.3697 { 201 402 } #!CB name="LJ C201 C402" interaction lennardjones f=0.00106 r0=6.3697 { 201 403 } #!CB name="LJ C201 C403" interaction lennardjones f=0.00106 r0=6.3697 { 201 404 } #!CB name="LJ C201 C404" interaction lennardjones f=0.00106 r0=6.3697 { 201 405 } #!CB name="LJ C201 C405" interaction lennardjones f=0.00106 r0=6.3697 { 201 500 } #!CB name="LJ C201 C500" interaction lennardjones f=0.00106 r0=6.3697 { 201 501 } #!CB name="LJ C201 C501" interaction lennardjones f=0.00106 r0=6.3697 { 201 502 } #!CB name="LJ C201 C502" interaction lennardjones f=0.00106 r0=6.3697 { 201 503 } #!CB name="LJ C201 C503" interaction lennardjones f=0.00106 r0=6.3697 { 201 504 } #!CB name="LJ C201 C504" interaction lennardjones f=0.00106 r0=6.3697 { 201 505 } #!CB name="LJ C201 C505" interaction lennardjones f=0.00106 r0=6.3697 { 201 600 } #!CB name="LJ C201 C600" interaction lennardjones f=0.00106 r0=6.3697 { 201 601 } #!CB name="LJ C201 C601" interaction lennardjones f=0.00106 r0=6.3697 { 201 602 } #!CB name="LJ C201 C602" interaction lennardjones f=0.00106 r0=6.3697 { 201 603 } #!CB name="LJ C201 C603" interaction lennardjones f=0.00106 r0=6.3697 { 201 604 } #!CB name="LJ C201 C604" interaction lennardjones f=0.00106 r0=6.3697 { 201 605 } #!CB name="LJ C201 C605" interaction lennardjones f=0.00106 r0=6.3697 { 201 700 } #!CB name="LJ C201 C700" interaction lennardjones f=0.00106 r0=6.3697 { 201 701 } #!CB name="LJ C201 C701" interaction lennardjones f=0.00106 r0=6.3697 { 201 702 } #!CB name="LJ C201 C702" interaction lennardjones f=0.00106 r0=6.3697 { 201 703 } #!CB name="LJ C201 C703" interaction lennardjones f=0.00106 r0=6.3697 { 201 704 } #!CB name="LJ C201 C704" interaction lennardjones f=0.00106 r0=6.3697 { 201 705 } #!CB name="LJ C201 C705" interaction lennardjones f=0.00106 r0=6.3697 { 202 300 } #!CB name="LJ C202 C300" interaction lennardjones f=0.00106 r0=6.3697 { 202 301 } #!CB name="LJ C202 C301" interaction lennardjones f=0.00106 r0=6.3697 { 202 302 } #!CB name="LJ C202 C302" interaction lennardjones f=0.00106 r0=6.3697 { 202 303 } #!CB name="LJ C202 C303" interaction lennardjones f=0.00106 r0=6.3697 { 202 304 } #!CB name="LJ C202 C304" interaction lennardjones f=0.00106 r0=6.3697 { 202 305 } #!CB name="LJ C202 C305" interaction lennardjones f=0.00106 r0=6.3697 { 202 400 } #!CB name="LJ C202 C400" interaction lennardjones f=0.00106 r0=6.3697 { 202 401 } #!CB name="LJ C202 C401" interaction lennardjones f=0.00106 r0=6.3697 { 202 402 } #!CB name="LJ C202 C402" interaction lennardjones f=0.00106 r0=6.3697 { 202 403 } #!CB name="LJ C202 C403" interaction lennardjones f=0.00106 r0=6.3697 { 202 404 } #!CB name="LJ C202 C404" interaction lennardjones f=0.00106 r0=6.3697 { 202 405 } #!CB name="LJ C202 C405" interaction lennardjones f=0.00106 r0=6.3697 { 202 500 } #!CB name="LJ C202 C500" interaction lennardjones f=0.00106 r0=6.3697 { 202 501 } #!CB name="LJ C202 C501" interaction lennardjones f=0.00106 r0=6.3697 { 202 502 } #!CB name="LJ C202 C502" interaction lennardjones f=0.00106 r0=6.3697 { 202 503 } #!CB name="LJ C202 C503" interaction lennardjones f=0.00106 r0=6.3697 { 202 504 } #!CB name="LJ C202 C504" interaction lennardjones f=0.00106 r0=6.3697 { 202 505 } #!CB name="LJ C202 C505" interaction lennardjones f=0.00106 r0=6.3697 { 202 600 } #!CB name="LJ C202 C600" interaction lennardjones f=0.00106 r0=6.3697 { 202 601 } #!CB name="LJ C202 C601" interaction lennardjones f=0.00106 r0=6.3697 { 202 602 } #!CB name="LJ C202 C602" interaction lennardjones f=0.00106 r0=6.3697 { 202 603 } #!CB name="LJ C202 C603" interaction lennardjones f=0.00106 r0=6.3697 { 202 604 } #!CB name="LJ C202 C604" interaction lennardjones f=0.00106 r0=6.3697 { 202 605 } #!CB name="LJ C202 C605" interaction lennardjones f=0.00106 r0=6.3697 { 202 700 } #!CB name="LJ C202 C700" interaction lennardjones f=0.00106 r0=6.3697 { 202 701 } #!CB name="LJ C202 C701" interaction lennardjones f=0.00106 r0=6.3697 { 202 702 } #!CB name="LJ C202 C702" interaction lennardjones f=0.00106 r0=6.3697 { 202 703 } #!CB name="LJ C202 C703" interaction lennardjones f=0.00106 r0=6.3697 { 202 704 } #!CB name="LJ C202 C704" interaction lennardjones f=0.00106 r0=6.3697 { 202 705 } #!CB name="LJ C202 C705" interaction lennardjones f=0.00106 r0=6.3697 { 203 300 } #!CB name="LJ C203 C300" interaction lennardjones f=0.00106 r0=6.3697 { 203 301 } #!CB name="LJ C203 C301" interaction lennardjones f=0.00106 r0=6.3697 { 203 302 } #!CB name="LJ C203 C302" interaction lennardjones f=0.00106 r0=6.3697 { 203 303 } #!CB name="LJ C203 C303" interaction lennardjones f=0.00106 r0=6.3697 { 203 304 } #!CB name="LJ C203 C304" interaction lennardjones f=0.00106 r0=6.3697 { 203 305 } #!CB name="LJ C203 C305" interaction lennardjones f=0.00106 r0=6.3697 { 203 400 } #!CB name="LJ C203 C400" interaction lennardjones f=0.00106 r0=6.3697 { 203 401 } #!CB name="LJ C203 C401" interaction lennardjones f=0.00106 r0=6.3697 { 203 402 } #!CB name="LJ C203 C402" interaction lennardjones f=0.00106 r0=6.3697 { 203 403 } #!CB name="LJ C203 C403" interaction lennardjones f=0.00106 r0=6.3697 { 203 404 } #!CB name="LJ C203 C404" interaction lennardjones f=0.00106 r0=6.3697 { 203 405 } #!CB name="LJ C203 C405" interaction lennardjones f=0.00106 r0=6.3697 { 203 500 } #!CB name="LJ C203 C500" interaction lennardjones f=0.00106 r0=6.3697 { 203 501 } #!CB name="LJ C203 C501" interaction lennardjones f=0.00106 r0=6.3697 { 203 502 } #!CB name="LJ C203 C502" interaction lennardjones f=0.00106 r0=6.3697 { 203 503 } #!CB name="LJ C203 C503" interaction lennardjones f=0.00106 r0=6.3697 { 203 504 } #!CB name="LJ C203 C504" interaction lennardjones f=0.00106 r0=6.3697 { 203 505 } #!CB name="LJ C203 C505" interaction lennardjones f=0.00106 r0=6.3697 { 203 600 } #!CB name="LJ C203 C600" interaction lennardjones f=0.00106 r0=6.3697 { 203 601 } #!CB name="LJ C203 C601" interaction lennardjones f=0.00106 r0=6.3697 { 203 602 } #!CB name="LJ C203 C602" interaction lennardjones f=0.00106 r0=6.3697 { 203 603 } #!CB name="LJ C203 C603" interaction lennardjones f=0.00106 r0=6.3697 { 203 604 } #!CB name="LJ C203 C604" interaction lennardjones f=0.00106 r0=6.3697 { 203 605 } #!CB name="LJ C203 C605" interaction lennardjones f=0.00106 r0=6.3697 { 203 700 } #!CB name="LJ C203 C700" interaction lennardjones f=0.00106 r0=6.3697 { 203 701 } #!CB name="LJ C203 C701" interaction lennardjones f=0.00106 r0=6.3697 { 203 702 } #!CB name="LJ C203 C702" interaction lennardjones f=0.00106 r0=6.3697 { 203 703 } #!CB name="LJ C203 C703" interaction lennardjones f=0.00106 r0=6.3697 { 203 704 } #!CB name="LJ C203 C704" interaction lennardjones f=0.00106 r0=6.3697 { 203 705 } #!CB name="LJ C203 C705" interaction lennardjones f=0.00106 r0=6.3697 { 204 300 } #!CB name="LJ C204 C300" interaction lennardjones f=0.00106 r0=6.3697 { 204 301 } #!CB name="LJ C204 C301" interaction lennardjones f=0.00106 r0=6.3697 { 204 302 } #!CB name="LJ C204 C302" interaction lennardjones f=0.00106 r0=6.3697 { 204 303 } #!CB name="LJ C204 C303" interaction lennardjones f=0.00106 r0=6.3697 { 204 304 } #!CB name="LJ C204 C304" interaction lennardjones f=0.00106 r0=6.3697 { 204 305 } #!CB name="LJ C204 C305" interaction lennardjones f=0.00106 r0=6.3697 { 204 400 } #!CB name="LJ C204 C400" interaction lennardjones f=0.00106 r0=6.3697 { 204 401 } #!CB name="LJ C204 C401" interaction lennardjones f=0.00106 r0=6.3697 { 204 402 } #!CB name="LJ C204 C402" interaction lennardjones f=0.00106 r0=6.3697 { 204 403 } #!CB name="LJ C204 C403" interaction lennardjones f=0.00106 r0=6.3697 { 204 404 } #!CB name="LJ C204 C404" interaction lennardjones f=0.00106 r0=6.3697 { 204 405 } #!CB name="LJ C204 C405" interaction lennardjones f=0.00106 r0=6.3697 { 204 500 } #!CB name="LJ C204 C500" interaction lennardjones f=0.00106 r0=6.3697 { 204 501 } #!CB name="LJ C204 C501" interaction lennardjones f=0.00106 r0=6.3697 { 204 502 } #!CB name="LJ C204 C502" interaction lennardjones f=0.00106 r0=6.3697 { 204 503 } #!CB name="LJ C204 C503" interaction lennardjones f=0.00106 r0=6.3697 { 204 504 } #!CB name="LJ C204 C504" interaction lennardjones f=0.00106 r0=6.3697 { 204 505 } #!CB name="LJ C204 C505" interaction lennardjones f=0.00106 r0=6.3697 { 204 600 } #!CB name="LJ C204 C600" interaction lennardjones f=0.00106 r0=6.3697 { 204 601 } #!CB name="LJ C204 C601" interaction lennardjones f=0.00106 r0=6.3697 { 204 602 } #!CB name="LJ C204 C602" interaction lennardjones f=0.00106 r0=6.3697 { 204 603 } #!CB name="LJ C204 C603" interaction lennardjones f=0.00106 r0=6.3697 { 204 604 } #!CB name="LJ C204 C604" interaction lennardjones f=0.00106 r0=6.3697 { 204 605 } #!CB name="LJ C204 C605" interaction lennardjones f=0.00106 r0=6.3697 { 204 700 } #!CB name="LJ C204 C700" interaction lennardjones f=0.00106 r0=6.3697 { 204 701 } #!CB name="LJ C204 C701" interaction lennardjones f=0.00106 r0=6.3697 { 204 702 } #!CB name="LJ C204 C702" interaction lennardjones f=0.00106 r0=6.3697 { 204 703 } #!CB name="LJ C204 C703" interaction lennardjones f=0.00106 r0=6.3697 { 204 704 } #!CB name="LJ C204 C704" interaction lennardjones f=0.00106 r0=6.3697 { 204 705 } #!CB name="LJ C204 C705" interaction lennardjones f=0.00106 r0=6.3697 { 205 300 } #!CB name="LJ C205 C300" interaction lennardjones f=0.00106 r0=6.3697 { 205 301 } #!CB name="LJ C205 C301" interaction lennardjones f=0.00106 r0=6.3697 { 205 302 } #!CB name="LJ C205 C302" interaction lennardjones f=0.00106 r0=6.3697 { 205 303 } #!CB name="LJ C205 C303" interaction lennardjones f=0.00106 r0=6.3697 { 205 304 } #!CB name="LJ C205 C304" interaction lennardjones f=0.00106 r0=6.3697 { 205 305 } #!CB name="LJ C205 C305" interaction lennardjones f=0.00106 r0=6.3697 { 205 400 } #!CB name="LJ C205 C400" interaction lennardjones f=0.00106 r0=6.3697 { 205 401 } #!CB name="LJ C205 C401" interaction lennardjones f=0.00106 r0=6.3697 { 205 402 } #!CB name="LJ C205 C402" interaction lennardjones f=0.00106 r0=6.3697 { 205 403 } #!CB name="LJ C205 C403" interaction lennardjones f=0.00106 r0=6.3697 { 205 404 } #!CB name="LJ C205 C404" interaction lennardjones f=0.00106 r0=6.3697 { 205 405 } #!CB name="LJ C205 C405" interaction lennardjones f=0.00106 r0=6.3697 { 205 500 } #!CB name="LJ C205 C500" interaction lennardjones f=0.00106 r0=6.3697 { 205 501 } #!CB name="LJ C205 C501" interaction lennardjones f=0.00106 r0=6.3697 { 205 502 } #!CB name="LJ C205 C502" interaction lennardjones f=0.00106 r0=6.3697 { 205 503 } #!CB name="LJ C205 C503" interaction lennardjones f=0.00106 r0=6.3697 { 205 504 } #!CB name="LJ C205 C504" interaction lennardjones f=0.00106 r0=6.3697 { 205 505 } #!CB name="LJ C205 C505" interaction lennardjones f=0.00106 r0=6.3697 { 205 600 } #!CB name="LJ C205 C600" interaction lennardjones f=0.00106 r0=6.3697 { 205 601 } #!CB name="LJ C205 C601" interaction lennardjones f=0.00106 r0=6.3697 { 205 602 } #!CB name="LJ C205 C602" interaction lennardjones f=0.00106 r0=6.3697 { 205 603 } #!CB name="LJ C205 C603" interaction lennardjones f=0.00106 r0=6.3697 { 205 604 } #!CB name="LJ C205 C604" interaction lennardjones f=0.00106 r0=6.3697 { 205 605 } #!CB name="LJ C205 C605" interaction lennardjones f=0.00106 r0=6.3697 { 205 700 } #!CB name="LJ C205 C700" interaction lennardjones f=0.00106 r0=6.3697 { 205 701 } #!CB name="LJ C205 C701" interaction lennardjones f=0.00106 r0=6.3697 { 205 702 } #!CB name="LJ C205 C702" interaction lennardjones f=0.00106 r0=6.3697 { 205 703 } #!CB name="LJ C205 C703" interaction lennardjones f=0.00106 r0=6.3697 { 205 704 } #!CB name="LJ C205 C704" interaction lennardjones f=0.00106 r0=6.3697 { 205 705 } #!CB name="LJ C205 C705" interaction lennardjones f=0.00106 r0=6.3697 { 300 400 } #!CB name="LJ C300 C400" interaction lennardjones f=0.00106 r0=6.3697 { 300 401 } #!CB name="LJ C300 C401" interaction lennardjones f=0.00106 r0=6.3697 { 300 402 } #!CB name="LJ C300 C402" interaction lennardjones f=0.00106 r0=6.3697 { 300 403 } #!CB name="LJ C300 C403" interaction lennardjones f=0.00106 r0=6.3697 { 300 404 } #!CB name="LJ C300 C404" interaction lennardjones f=0.00106 r0=6.3697 { 300 405 } #!CB name="LJ C300 C405" interaction lennardjones f=0.00106 r0=6.3697 { 300 500 } #!CB name="LJ C300 C500" interaction lennardjones f=0.00106 r0=6.3697 { 300 501 } #!CB name="LJ C300 C501" interaction lennardjones f=0.00106 r0=6.3697 { 300 502 } #!CB name="LJ C300 C502" interaction lennardjones f=0.00106 r0=6.3697 { 300 503 } #!CB name="LJ C300 C503" interaction lennardjones f=0.00106 r0=6.3697 { 300 504 } #!CB name="LJ C300 C504" interaction lennardjones f=0.00106 r0=6.3697 { 300 505 } #!CB name="LJ C300 C505" interaction lennardjones f=0.00106 r0=6.3697 { 300 600 } #!CB name="LJ C300 C600" interaction lennardjones f=0.00106 r0=6.3697 { 300 601 } #!CB name="LJ C300 C601" interaction lennardjones f=0.00106 r0=6.3697 { 300 602 } #!CB name="LJ C300 C602" interaction lennardjones f=0.00106 r0=6.3697 { 300 603 } #!CB name="LJ C300 C603" interaction lennardjones f=0.00106 r0=6.3697 { 300 604 } #!CB name="LJ C300 C604" interaction lennardjones f=0.00106 r0=6.3697 { 300 605 } #!CB name="LJ C300 C605" interaction lennardjones f=0.00106 r0=6.3697 { 300 700 } #!CB name="LJ C300 C700" interaction lennardjones f=0.00106 r0=6.3697 { 300 701 } #!CB name="LJ C300 C701" interaction lennardjones f=0.00106 r0=6.3697 { 300 702 } #!CB name="LJ C300 C702" interaction lennardjones f=0.00106 r0=6.3697 { 300 703 } #!CB name="LJ C300 C703" interaction lennardjones f=0.00106 r0=6.3697 { 300 704 } #!CB name="LJ C300 C704" interaction lennardjones f=0.00106 r0=6.3697 { 300 705 } #!CB name="LJ C300 C705" interaction lennardjones f=0.00106 r0=6.3697 { 301 400 } #!CB name="LJ C301 C400" interaction lennardjones f=0.00106 r0=6.3697 { 301 401 } #!CB name="LJ C301 C401" interaction lennardjones f=0.00106 r0=6.3697 { 301 402 } #!CB name="LJ C301 C402" interaction lennardjones f=0.00106 r0=6.3697 { 301 403 } #!CB name="LJ C301 C403" interaction lennardjones f=0.00106 r0=6.3697 { 301 404 } #!CB name="LJ C301 C404" interaction lennardjones f=0.00106 r0=6.3697 { 301 405 } #!CB name="LJ C301 C405" interaction lennardjones f=0.00106 r0=6.3697 { 301 500 } #!CB name="LJ C301 C500" interaction lennardjones f=0.00106 r0=6.3697 { 301 501 } #!CB name="LJ C301 C501" interaction lennardjones f=0.00106 r0=6.3697 { 301 502 } #!CB name="LJ C301 C502" interaction lennardjones f=0.00106 r0=6.3697 { 301 503 } #!CB name="LJ C301 C503" interaction lennardjones f=0.00106 r0=6.3697 { 301 504 } #!CB name="LJ C301 C504" interaction lennardjones f=0.00106 r0=6.3697 { 301 505 } #!CB name="LJ C301 C505" interaction lennardjones f=0.00106 r0=6.3697 { 301 600 } #!CB name="LJ C301 C600" interaction lennardjones f=0.00106 r0=6.3697 { 301 601 } #!CB name="LJ C301 C601" interaction lennardjones f=0.00106 r0=6.3697 { 301 602 } #!CB name="LJ C301 C602" interaction lennardjones f=0.00106 r0=6.3697 { 301 603 } #!CB name="LJ C301 C603" interaction lennardjones f=0.00106 r0=6.3697 { 301 604 } #!CB name="LJ C301 C604" interaction lennardjones f=0.00106 r0=6.3697 { 301 605 } #!CB name="LJ C301 C605" interaction lennardjones f=0.00106 r0=6.3697 { 301 700 } #!CB name="LJ C301 C700" interaction lennardjones f=0.00106 r0=6.3697 { 301 701 } #!CB name="LJ C301 C701" interaction lennardjones f=0.00106 r0=6.3697 { 301 702 } #!CB name="LJ C301 C702" interaction lennardjones f=0.00106 r0=6.3697 { 301 703 } #!CB name="LJ C301 C703" interaction lennardjones f=0.00106 r0=6.3697 { 301 704 } #!CB name="LJ C301 C704" interaction lennardjones f=0.00106 r0=6.3697 { 301 705 } #!CB name="LJ C301 C705" interaction lennardjones f=0.00106 r0=6.3697 { 302 400 } #!CB name="LJ C302 C400" interaction lennardjones f=0.00106 r0=6.3697 { 302 401 } #!CB name="LJ C302 C401" interaction lennardjones f=0.00106 r0=6.3697 { 302 402 } #!CB name="LJ C302 C402" interaction lennardjones f=0.00106 r0=6.3697 { 302 403 } #!CB name="LJ C302 C403" interaction lennardjones f=0.00106 r0=6.3697 { 302 404 } #!CB name="LJ C302 C404" interaction lennardjones f=0.00106 r0=6.3697 { 302 405 } #!CB name="LJ C302 C405" interaction lennardjones f=0.00106 r0=6.3697 { 302 500 } #!CB name="LJ C302 C500" interaction lennardjones f=0.00106 r0=6.3697 { 302 501 } #!CB name="LJ C302 C501" interaction lennardjones f=0.00106 r0=6.3697 { 302 502 } #!CB name="LJ C302 C502" interaction lennardjones f=0.00106 r0=6.3697 { 302 503 } #!CB name="LJ C302 C503" interaction lennardjones f=0.00106 r0=6.3697 { 302 504 } #!CB name="LJ C302 C504" interaction lennardjones f=0.00106 r0=6.3697 { 302 505 } #!CB name="LJ C302 C505" interaction lennardjones f=0.00106 r0=6.3697 { 302 600 } #!CB name="LJ C302 C600" interaction lennardjones f=0.00106 r0=6.3697 { 302 601 } #!CB name="LJ C302 C601" interaction lennardjones f=0.00106 r0=6.3697 { 302 602 } #!CB name="LJ C302 C602" interaction lennardjones f=0.00106 r0=6.3697 { 302 603 } #!CB name="LJ C302 C603" interaction lennardjones f=0.00106 r0=6.3697 { 302 604 } #!CB name="LJ C302 C604" interaction lennardjones f=0.00106 r0=6.3697 { 302 605 } #!CB name="LJ C302 C605" interaction lennardjones f=0.00106 r0=6.3697 { 302 700 } #!CB name="LJ C302 C700" interaction lennardjones f=0.00106 r0=6.3697 { 302 701 } #!CB name="LJ C302 C701" interaction lennardjones f=0.00106 r0=6.3697 { 302 702 } #!CB name="LJ C302 C702" interaction lennardjones f=0.00106 r0=6.3697 { 302 703 } #!CB name="LJ C302 C703" interaction lennardjones f=0.00106 r0=6.3697 { 302 704 } #!CB name="LJ C302 C704" interaction lennardjones f=0.00106 r0=6.3697 { 302 705 } #!CB name="LJ C302 C705" interaction lennardjones f=0.00106 r0=6.3697 { 303 400 } #!CB name="LJ C303 C400" interaction lennardjones f=0.00106 r0=6.3697 { 303 401 } #!CB name="LJ C303 C401" interaction lennardjones f=0.00106 r0=6.3697 { 303 402 } #!CB name="LJ C303 C402" interaction lennardjones f=0.00106 r0=6.3697 { 303 403 } #!CB name="LJ C303 C403" interaction lennardjones f=0.00106 r0=6.3697 { 303 404 } #!CB name="LJ C303 C404" interaction lennardjones f=0.00106 r0=6.3697 { 303 405 } #!CB name="LJ C303 C405" interaction lennardjones f=0.00106 r0=6.3697 { 303 500 } #!CB name="LJ C303 C500" interaction lennardjones f=0.00106 r0=6.3697 { 303 501 } #!CB name="LJ C303 C501" interaction lennardjones f=0.00106 r0=6.3697 { 303 502 } #!CB name="LJ C303 C502" interaction lennardjones f=0.00106 r0=6.3697 { 303 503 } #!CB name="LJ C303 C503" interaction lennardjones f=0.00106 r0=6.3697 { 303 504 } #!CB name="LJ C303 C504" interaction lennardjones f=0.00106 r0=6.3697 { 303 505 } #!CB name="LJ C303 C505" interaction lennardjones f=0.00106 r0=6.3697 { 303 600 } #!CB name="LJ C303 C600" interaction lennardjones f=0.00106 r0=6.3697 { 303 601 } #!CB name="LJ C303 C601" interaction lennardjones f=0.00106 r0=6.3697 { 303 602 } #!CB name="LJ C303 C602" interaction lennardjones f=0.00106 r0=6.3697 { 303 603 } #!CB name="LJ C303 C603" interaction lennardjones f=0.00106 r0=6.3697 { 303 604 } #!CB name="LJ C303 C604" interaction lennardjones f=0.00106 r0=6.3697 { 303 605 } #!CB name="LJ C303 C605" interaction lennardjones f=0.00106 r0=6.3697 { 303 700 } #!CB name="LJ C303 C700" interaction lennardjones f=0.00106 r0=6.3697 { 303 701 } #!CB name="LJ C303 C701" interaction lennardjones f=0.00106 r0=6.3697 { 303 702 } #!CB name="LJ C303 C702" interaction lennardjones f=0.00106 r0=6.3697 { 303 703 } #!CB name="LJ C303 C703" interaction lennardjones f=0.00106 r0=6.3697 { 303 704 } #!CB name="LJ C303 C704" interaction lennardjones f=0.00106 r0=6.3697 { 303 705 } #!CB name="LJ C303 C705" interaction lennardjones f=0.00106 r0=6.3697 { 304 400 } #!CB name="LJ C304 C400" interaction lennardjones f=0.00106 r0=6.3697 { 304 401 } #!CB name="LJ C304 C401" interaction lennardjones f=0.00106 r0=6.3697 { 304 402 } #!CB name="LJ C304 C402" interaction lennardjones f=0.00106 r0=6.3697 { 304 403 } #!CB name="LJ C304 C403" interaction lennardjones f=0.00106 r0=6.3697 { 304 404 } #!CB name="LJ C304 C404" interaction lennardjones f=0.00106 r0=6.3697 { 304 405 } #!CB name="LJ C304 C405" interaction lennardjones f=0.00106 r0=6.3697 { 304 500 } #!CB name="LJ C304 C500" interaction lennardjones f=0.00106 r0=6.3697 { 304 501 } #!CB name="LJ C304 C501" interaction lennardjones f=0.00106 r0=6.3697 { 304 502 } #!CB name="LJ C304 C502" interaction lennardjones f=0.00106 r0=6.3697 { 304 503 } #!CB name="LJ C304 C503" interaction lennardjones f=0.00106 r0=6.3697 { 304 504 } #!CB name="LJ C304 C504" interaction lennardjones f=0.00106 r0=6.3697 { 304 505 } #!CB name="LJ C304 C505" interaction lennardjones f=0.00106 r0=6.3697 { 304 600 } #!CB name="LJ C304 C600" interaction lennardjones f=0.00106 r0=6.3697 { 304 601 } #!CB name="LJ C304 C601" interaction lennardjones f=0.00106 r0=6.3697 { 304 602 } #!CB name="LJ C304 C602" interaction lennardjones f=0.00106 r0=6.3697 { 304 603 } #!CB name="LJ C304 C603" interaction lennardjones f=0.00106 r0=6.3697 { 304 604 } #!CB name="LJ C304 C604" interaction lennardjones f=0.00106 r0=6.3697 { 304 605 } #!CB name="LJ C304 C605" interaction lennardjones f=0.00106 r0=6.3697 { 304 700 } #!CB name="LJ C304 C700" interaction lennardjones f=0.00106 r0=6.3697 { 304 701 } #!CB name="LJ C304 C701" interaction lennardjones f=0.00106 r0=6.3697 { 304 702 } #!CB name="LJ C304 C702" interaction lennardjones f=0.00106 r0=6.3697 { 304 703 } #!CB name="LJ C304 C703" interaction lennardjones f=0.00106 r0=6.3697 { 304 704 } #!CB name="LJ C304 C704" interaction lennardjones f=0.00106 r0=6.3697 { 304 705 } #!CB name="LJ C304 C705" interaction lennardjones f=0.00106 r0=6.3697 { 305 400 } #!CB name="LJ C305 C400" interaction lennardjones f=0.00106 r0=6.3697 { 305 401 } #!CB name="LJ C305 C401" interaction lennardjones f=0.00106 r0=6.3697 { 305 402 } #!CB name="LJ C305 C402" interaction lennardjones f=0.00106 r0=6.3697 { 305 403 } #!CB name="LJ C305 C403" interaction lennardjones f=0.00106 r0=6.3697 { 305 404 } #!CB name="LJ C305 C404" interaction lennardjones f=0.00106 r0=6.3697 { 305 405 } #!CB name="LJ C305 C405" interaction lennardjones f=0.00106 r0=6.3697 { 305 500 } #!CB name="LJ C305 C500" interaction lennardjones f=0.00106 r0=6.3697 { 305 501 } #!CB name="LJ C305 C501" interaction lennardjones f=0.00106 r0=6.3697 { 305 502 } #!CB name="LJ C305 C502" interaction lennardjones f=0.00106 r0=6.3697 { 305 503 } #!CB name="LJ C305 C503" interaction lennardjones f=0.00106 r0=6.3697 { 305 504 } #!CB name="LJ C305 C504" interaction lennardjones f=0.00106 r0=6.3697 { 305 505 } #!CB name="LJ C305 C505" interaction lennardjones f=0.00106 r0=6.3697 { 305 600 } #!CB name="LJ C305 C600" interaction lennardjones f=0.00106 r0=6.3697 { 305 601 } #!CB name="LJ C305 C601" interaction lennardjones f=0.00106 r0=6.3697 { 305 602 } #!CB name="LJ C305 C602" interaction lennardjones f=0.00106 r0=6.3697 { 305 603 } #!CB name="LJ C305 C603" interaction lennardjones f=0.00106 r0=6.3697 { 305 604 } #!CB name="LJ C305 C604" interaction lennardjones f=0.00106 r0=6.3697 { 305 605 } #!CB name="LJ C305 C605" interaction lennardjones f=0.00106 r0=6.3697 { 305 700 } #!CB name="LJ C305 C700" interaction lennardjones f=0.00106 r0=6.3697 { 305 701 } #!CB name="LJ C305 C701" interaction lennardjones f=0.00106 r0=6.3697 { 305 702 } #!CB name="LJ C305 C702" interaction lennardjones f=0.00106 r0=6.3697 { 305 703 } #!CB name="LJ C305 C703" interaction lennardjones f=0.00106 r0=6.3697 { 305 704 } #!CB name="LJ C305 C704" interaction lennardjones f=0.00106 r0=6.3697 { 305 705 } #!CB name="LJ C305 C705" interaction lennardjones f=0.00106 r0=6.3697 { 400 500 } #!CB name="LJ C400 C500" interaction lennardjones f=0.00106 r0=6.3697 { 400 501 } #!CB name="LJ C400 C501" interaction lennardjones f=0.00106 r0=6.3697 { 400 502 } #!CB name="LJ C400 C502" interaction lennardjones f=0.00106 r0=6.3697 { 400 503 } #!CB name="LJ C400 C503" interaction lennardjones f=0.00106 r0=6.3697 { 400 504 } #!CB name="LJ C400 C504" interaction lennardjones f=0.00106 r0=6.3697 { 400 505 } #!CB name="LJ C400 C505" interaction lennardjones f=0.00106 r0=6.3697 { 400 600 } #!CB name="LJ C400 C600" interaction lennardjones f=0.00106 r0=6.3697 { 400 601 } #!CB name="LJ C400 C601" interaction lennardjones f=0.00106 r0=6.3697 { 400 602 } #!CB name="LJ C400 C602" interaction lennardjones f=0.00106 r0=6.3697 { 400 603 } #!CB name="LJ C400 C603" interaction lennardjones f=0.00106 r0=6.3697 { 400 604 } #!CB name="LJ C400 C604" interaction lennardjones f=0.00106 r0=6.3697 { 400 605 } #!CB name="LJ C400 C605" interaction lennardjones f=0.00106 r0=6.3697 { 400 700 } #!CB name="LJ C400 C700" interaction lennardjones f=0.00106 r0=6.3697 { 400 701 } #!CB name="LJ C400 C701" interaction lennardjones f=0.00106 r0=6.3697 { 400 702 } #!CB name="LJ C400 C702" interaction lennardjones f=0.00106 r0=6.3697 { 400 703 } #!CB name="LJ C400 C703" interaction lennardjones f=0.00106 r0=6.3697 { 400 704 } #!CB name="LJ C400 C704" interaction lennardjones f=0.00106 r0=6.3697 { 400 705 } #!CB name="LJ C400 C705" interaction lennardjones f=0.00106 r0=6.3697 { 401 500 } #!CB name="LJ C401 C500" interaction lennardjones f=0.00106 r0=6.3697 { 401 501 } #!CB name="LJ C401 C501" interaction lennardjones f=0.00106 r0=6.3697 { 401 502 } #!CB name="LJ C401 C502" interaction lennardjones f=0.00106 r0=6.3697 { 401 503 } #!CB name="LJ C401 C503" interaction lennardjones f=0.00106 r0=6.3697 { 401 504 } #!CB name="LJ C401 C504" interaction lennardjones f=0.00106 r0=6.3697 { 401 505 } #!CB name="LJ C401 C505" interaction lennardjones f=0.00106 r0=6.3697 { 401 600 } #!CB name="LJ C401 C600" interaction lennardjones f=0.00106 r0=6.3697 { 401 601 } #!CB name="LJ C401 C601" interaction lennardjones f=0.00106 r0=6.3697 { 401 602 } #!CB name="LJ C401 C602" interaction lennardjones f=0.00106 r0=6.3697 { 401 603 } #!CB name="LJ C401 C603" interaction lennardjones f=0.00106 r0=6.3697 { 401 604 } #!CB name="LJ C401 C604" interaction lennardjones f=0.00106 r0=6.3697 { 401 605 } #!CB name="LJ C401 C605" interaction lennardjones f=0.00106 r0=6.3697 { 401 700 } #!CB name="LJ C401 C700" interaction lennardjones f=0.00106 r0=6.3697 { 401 701 } #!CB name="LJ C401 C701" interaction lennardjones f=0.00106 r0=6.3697 { 401 702 } #!CB name="LJ C401 C702" interaction lennardjones f=0.00106 r0=6.3697 { 401 703 } #!CB name="LJ C401 C703" interaction lennardjones f=0.00106 r0=6.3697 { 401 704 } #!CB name="LJ C401 C704" interaction lennardjones f=0.00106 r0=6.3697 { 401 705 } #!CB name="LJ C401 C705" interaction lennardjones f=0.00106 r0=6.3697 { 402 500 } #!CB name="LJ C402 C500" interaction lennardjones f=0.00106 r0=6.3697 { 402 501 } #!CB name="LJ C402 C501" interaction lennardjones f=0.00106 r0=6.3697 { 402 502 } #!CB name="LJ C402 C502" interaction lennardjones f=0.00106 r0=6.3697 { 402 503 } #!CB name="LJ C402 C503" interaction lennardjones f=0.00106 r0=6.3697 { 402 504 } #!CB name="LJ C402 C504" interaction lennardjones f=0.00106 r0=6.3697 { 402 505 } #!CB name="LJ C402 C505" interaction lennardjones f=0.00106 r0=6.3697 { 402 600 } #!CB name="LJ C402 C600" interaction lennardjones f=0.00106 r0=6.3697 { 402 601 } #!CB name="LJ C402 C601" interaction lennardjones f=0.00106 r0=6.3697 { 402 602 } #!CB name="LJ C402 C602" interaction lennardjones f=0.00106 r0=6.3697 { 402 603 } #!CB name="LJ C402 C603" interaction lennardjones f=0.00106 r0=6.3697 { 402 604 } #!CB name="LJ C402 C604" interaction lennardjones f=0.00106 r0=6.3697 { 402 605 } #!CB name="LJ C402 C605" interaction lennardjones f=0.00106 r0=6.3697 { 402 700 } #!CB name="LJ C402 C700" interaction lennardjones f=0.00106 r0=6.3697 { 402 701 } #!CB name="LJ C402 C701" interaction lennardjones f=0.00106 r0=6.3697 { 402 702 } #!CB name="LJ C402 C702" interaction lennardjones f=0.00106 r0=6.3697 { 402 703 } #!CB name="LJ C402 C703" interaction lennardjones f=0.00106 r0=6.3697 { 402 704 } #!CB name="LJ C402 C704" interaction lennardjones f=0.00106 r0=6.3697 { 402 705 } #!CB name="LJ C402 C705" interaction lennardjones f=0.00106 r0=6.3697 { 403 500 } #!CB name="LJ C403 C500" interaction lennardjones f=0.00106 r0=6.3697 { 403 501 } #!CB name="LJ C403 C501" interaction lennardjones f=0.00106 r0=6.3697 { 403 502 } #!CB name="LJ C403 C502" interaction lennardjones f=0.00106 r0=6.3697 { 403 503 } #!CB name="LJ C403 C503" interaction lennardjones f=0.00106 r0=6.3697 { 403 504 } #!CB name="LJ C403 C504" interaction lennardjones f=0.00106 r0=6.3697 { 403 505 } #!CB name="LJ C403 C505" interaction lennardjones f=0.00106 r0=6.3697 { 403 600 } #!CB name="LJ C403 C600" interaction lennardjones f=0.00106 r0=6.3697 { 403 601 } #!CB name="LJ C403 C601" interaction lennardjones f=0.00106 r0=6.3697 { 403 602 } #!CB name="LJ C403 C602" interaction lennardjones f=0.00106 r0=6.3697 { 403 603 } #!CB name="LJ C403 C603" interaction lennardjones f=0.00106 r0=6.3697 { 403 604 } #!CB name="LJ C403 C604" interaction lennardjones f=0.00106 r0=6.3697 { 403 605 } #!CB name="LJ C403 C605" interaction lennardjones f=0.00106 r0=6.3697 { 403 700 } #!CB name="LJ C403 C700" interaction lennardjones f=0.00106 r0=6.3697 { 403 701 } #!CB name="LJ C403 C701" interaction lennardjones f=0.00106 r0=6.3697 { 403 702 } #!CB name="LJ C403 C702" interaction lennardjones f=0.00106 r0=6.3697 { 403 703 } #!CB name="LJ C403 C703" interaction lennardjones f=0.00106 r0=6.3697 { 403 704 } #!CB name="LJ C403 C704" interaction lennardjones f=0.00106 r0=6.3697 { 403 705 } #!CB name="LJ C403 C705" interaction lennardjones f=0.00106 r0=6.3697 { 404 500 } #!CB name="LJ C404 C500" interaction lennardjones f=0.00106 r0=6.3697 { 404 501 } #!CB name="LJ C404 C501" interaction lennardjones f=0.00106 r0=6.3697 { 404 502 } #!CB name="LJ C404 C502" interaction lennardjones f=0.00106 r0=6.3697 { 404 503 } #!CB name="LJ C404 C503" interaction lennardjones f=0.00106 r0=6.3697 { 404 504 } #!CB name="LJ C404 C504" interaction lennardjones f=0.00106 r0=6.3697 { 404 505 } #!CB name="LJ C404 C505" interaction lennardjones f=0.00106 r0=6.3697 { 404 600 } #!CB name="LJ C404 C600" interaction lennardjones f=0.00106 r0=6.3697 { 404 601 } #!CB name="LJ C404 C601" interaction lennardjones f=0.00106 r0=6.3697 { 404 602 } #!CB name="LJ C404 C602" interaction lennardjones f=0.00106 r0=6.3697 { 404 603 } #!CB name="LJ C404 C603" interaction lennardjones f=0.00106 r0=6.3697 { 404 604 } #!CB name="LJ C404 C604" interaction lennardjones f=0.00106 r0=6.3697 { 404 605 } #!CB name="LJ C404 C605" interaction lennardjones f=0.00106 r0=6.3697 { 404 700 } #!CB name="LJ C404 C700" interaction lennardjones f=0.00106 r0=6.3697 { 404 701 } #!CB name="LJ C404 C701" interaction lennardjones f=0.00106 r0=6.3697 { 404 702 } #!CB name="LJ C404 C702" interaction lennardjones f=0.00106 r0=6.3697 { 404 703 } #!CB name="LJ C404 C703" interaction lennardjones f=0.00106 r0=6.3697 { 404 704 } #!CB name="LJ C404 C704" interaction lennardjones f=0.00106 r0=6.3697 { 404 705 } #!CB name="LJ C404 C705" interaction lennardjones f=0.00106 r0=6.3697 { 405 500 } #!CB name="LJ C405 C500" interaction lennardjones f=0.00106 r0=6.3697 { 405 501 } #!CB name="LJ C405 C501" interaction lennardjones f=0.00106 r0=6.3697 { 405 502 } #!CB name="LJ C405 C502" interaction lennardjones f=0.00106 r0=6.3697 { 405 503 } #!CB name="LJ C405 C503" interaction lennardjones f=0.00106 r0=6.3697 { 405 504 } #!CB name="LJ C405 C504" interaction lennardjones f=0.00106 r0=6.3697 { 405 505 } #!CB name="LJ C405 C505" interaction lennardjones f=0.00106 r0=6.3697 { 405 600 } #!CB name="LJ C405 C600" interaction lennardjones f=0.00106 r0=6.3697 { 405 601 } #!CB name="LJ C405 C601" interaction lennardjones f=0.00106 r0=6.3697 { 405 602 } #!CB name="LJ C405 C602" interaction lennardjones f=0.00106 r0=6.3697 { 405 603 } #!CB name="LJ C405 C603" interaction lennardjones f=0.00106 r0=6.3697 { 405 604 } #!CB name="LJ C405 C604" interaction lennardjones f=0.00106 r0=6.3697 { 405 605 } #!CB name="LJ C405 C605" interaction lennardjones f=0.00106 r0=6.3697 { 405 700 } #!CB name="LJ C405 C700" interaction lennardjones f=0.00106 r0=6.3697 { 405 701 } #!CB name="LJ C405 C701" interaction lennardjones f=0.00106 r0=6.3697 { 405 702 } #!CB name="LJ C405 C702" interaction lennardjones f=0.00106 r0=6.3697 { 405 703 } #!CB name="LJ C405 C703" interaction lennardjones f=0.00106 r0=6.3697 { 405 704 } #!CB name="LJ C405 C704" interaction lennardjones f=0.00106 r0=6.3697 { 405 705 } #!CB name="LJ C405 C705" interaction lennardjones f=0.00106 r0=6.3697 { 500 600 } #!CB name="LJ C500 C600" interaction lennardjones f=0.00106 r0=6.3697 { 500 601 } #!CB name="LJ C500 C601" interaction lennardjones f=0.00106 r0=6.3697 { 500 602 } #!CB name="LJ C500 C602" interaction lennardjones f=0.00106 r0=6.3697 { 500 603 } #!CB name="LJ C500 C603" interaction lennardjones f=0.00106 r0=6.3697 { 500 604 } #!CB name="LJ C500 C604" interaction lennardjones f=0.00106 r0=6.3697 { 500 605 } #!CB name="LJ C500 C605" interaction lennardjones f=0.00106 r0=6.3697 { 500 700 } #!CB name="LJ C500 C700" interaction lennardjones f=0.00106 r0=6.3697 { 500 701 } #!CB name="LJ C500 C701" interaction lennardjones f=0.00106 r0=6.3697 { 500 702 } #!CB name="LJ C500 C702" interaction lennardjones f=0.00106 r0=6.3697 { 500 703 } #!CB name="LJ C500 C703" interaction lennardjones f=0.00106 r0=6.3697 { 500 704 } #!CB name="LJ C500 C704" interaction lennardjones f=0.00106 r0=6.3697 { 500 705 } #!CB name="LJ C500 C705" interaction lennardjones f=0.00106 r0=6.3697 { 501 600 } #!CB name="LJ C501 C600" interaction lennardjones f=0.00106 r0=6.3697 { 501 601 } #!CB name="LJ C501 C601" interaction lennardjones f=0.00106 r0=6.3697 { 501 602 } #!CB name="LJ C501 C602" interaction lennardjones f=0.00106 r0=6.3697 { 501 603 } #!CB name="LJ C501 C603" interaction lennardjones f=0.00106 r0=6.3697 { 501 604 } #!CB name="LJ C501 C604" interaction lennardjones f=0.00106 r0=6.3697 { 501 605 } #!CB name="LJ C501 C605" interaction lennardjones f=0.00106 r0=6.3697 { 501 700 } #!CB name="LJ C501 C700" interaction lennardjones f=0.00106 r0=6.3697 { 501 701 } #!CB name="LJ C501 C701" interaction lennardjones f=0.00106 r0=6.3697 { 501 702 } #!CB name="LJ C501 C702" interaction lennardjones f=0.00106 r0=6.3697 { 501 703 } #!CB name="LJ C501 C703" interaction lennardjones f=0.00106 r0=6.3697 { 501 704 } #!CB name="LJ C501 C704" interaction lennardjones f=0.00106 r0=6.3697 { 501 705 } #!CB name="LJ C501 C705" interaction lennardjones f=0.00106 r0=6.3697 { 502 600 } #!CB name="LJ C502 C600" interaction lennardjones f=0.00106 r0=6.3697 { 502 601 } #!CB name="LJ C502 C601" interaction lennardjones f=0.00106 r0=6.3697 { 502 602 } #!CB name="LJ C502 C602" interaction lennardjones f=0.00106 r0=6.3697 { 502 603 } #!CB name="LJ C502 C603" interaction lennardjones f=0.00106 r0=6.3697 { 502 604 } #!CB name="LJ C502 C604" interaction lennardjones f=0.00106 r0=6.3697 { 502 605 } #!CB name="LJ C502 C605" interaction lennardjones f=0.00106 r0=6.3697 { 502 700 } #!CB name="LJ C502 C700" interaction lennardjones f=0.00106 r0=6.3697 { 502 701 } #!CB name="LJ C502 C701" interaction lennardjones f=0.00106 r0=6.3697 { 502 702 } #!CB name="LJ C502 C702" interaction lennardjones f=0.00106 r0=6.3697 { 502 703 } #!CB name="LJ C502 C703" interaction lennardjones f=0.00106 r0=6.3697 { 502 704 } #!CB name="LJ C502 C704" interaction lennardjones f=0.00106 r0=6.3697 { 502 705 } #!CB name="LJ C502 C705" interaction lennardjones f=0.00106 r0=6.3697 { 503 600 } #!CB name="LJ C503 C600" interaction lennardjones f=0.00106 r0=6.3697 { 503 601 } #!CB name="LJ C503 C601" interaction lennardjones f=0.00106 r0=6.3697 { 503 602 } #!CB name="LJ C503 C602" interaction lennardjones f=0.00106 r0=6.3697 { 503 603 } #!CB name="LJ C503 C603" interaction lennardjones f=0.00106 r0=6.3697 { 503 604 } #!CB name="LJ C503 C604" interaction lennardjones f=0.00106 r0=6.3697 { 503 605 } #!CB name="LJ C503 C605" interaction lennardjones f=0.00106 r0=6.3697 { 503 700 } #!CB name="LJ C503 C700" interaction lennardjones f=0.00106 r0=6.3697 { 503 701 } #!CB name="LJ C503 C701" interaction lennardjones f=0.00106 r0=6.3697 { 503 702 } #!CB name="LJ C503 C702" interaction lennardjones f=0.00106 r0=6.3697 { 503 703 } #!CB name="LJ C503 C703" interaction lennardjones f=0.00106 r0=6.3697 { 503 704 } #!CB name="LJ C503 C704" interaction lennardjones f=0.00106 r0=6.3697 { 503 705 } #!CB name="LJ C503 C705" interaction lennardjones f=0.00106 r0=6.3697 { 504 600 } #!CB name="LJ C504 C600" interaction lennardjones f=0.00106 r0=6.3697 { 504 601 } #!CB name="LJ C504 C601" interaction lennardjones f=0.00106 r0=6.3697 { 504 602 } #!CB name="LJ C504 C602" interaction lennardjones f=0.00106 r0=6.3697 { 504 603 } #!CB name="LJ C504 C603" interaction lennardjones f=0.00106 r0=6.3697 { 504 604 } #!CB name="LJ C504 C604" interaction lennardjones f=0.00106 r0=6.3697 { 504 605 } #!CB name="LJ C504 C605" interaction lennardjones f=0.00106 r0=6.3697 { 504 700 } #!CB name="LJ C504 C700" interaction lennardjones f=0.00106 r0=6.3697 { 504 701 } #!CB name="LJ C504 C701" interaction lennardjones f=0.00106 r0=6.3697 { 504 702 } #!CB name="LJ C504 C702" interaction lennardjones f=0.00106 r0=6.3697 { 504 703 } #!CB name="LJ C504 C703" interaction lennardjones f=0.00106 r0=6.3697 { 504 704 } #!CB name="LJ C504 C704" interaction lennardjones f=0.00106 r0=6.3697 { 504 705 } #!CB name="LJ C504 C705" interaction lennardjones f=0.00106 r0=6.3697 { 505 600 } #!CB name="LJ C505 C600" interaction lennardjones f=0.00106 r0=6.3697 { 505 601 } #!CB name="LJ C505 C601" interaction lennardjones f=0.00106 r0=6.3697 { 505 602 } #!CB name="LJ C505 C602" interaction lennardjones f=0.00106 r0=6.3697 { 505 603 } #!CB name="LJ C505 C603" interaction lennardjones f=0.00106 r0=6.3697 { 505 604 } #!CB name="LJ C505 C604" interaction lennardjones f=0.00106 r0=6.3697 { 505 605 } #!CB name="LJ C505 C605" interaction lennardjones f=0.00106 r0=6.3697 { 505 700 } #!CB name="LJ C505 C700" interaction lennardjones f=0.00106 r0=6.3697 { 505 701 } #!CB name="LJ C505 C701" interaction lennardjones f=0.00106 r0=6.3697 { 505 702 } #!CB name="LJ C505 C702" interaction lennardjones f=0.00106 r0=6.3697 { 505 703 } #!CB name="LJ C505 C703" interaction lennardjones f=0.00106 r0=6.3697 { 505 704 } #!CB name="LJ C505 C704" interaction lennardjones f=0.00106 r0=6.3697 { 505 705 } #!CB name="LJ C505 C705" interaction lennardjones f=0.00106 r0=6.3697 { 600 700 } #!CB name="LJ C600 C700" interaction lennardjones f=0.00106 r0=6.3697 { 600 701 } #!CB name="LJ C600 C701" interaction lennardjones f=0.00106 r0=6.3697 { 600 702 } #!CB name="LJ C600 C702" interaction lennardjones f=0.00106 r0=6.3697 { 600 703 } #!CB name="LJ C600 C703" interaction lennardjones f=0.00106 r0=6.3697 { 600 704 } #!CB name="LJ C600 C704" interaction lennardjones f=0.00106 r0=6.3697 { 600 705 } #!CB name="LJ C600 C705" interaction lennardjones f=0.00106 r0=6.3697 { 601 700 } #!CB name="LJ C601 C700" interaction lennardjones f=0.00106 r0=6.3697 { 601 701 } #!CB name="LJ C601 C701" interaction lennardjones f=0.00106 r0=6.3697 { 601 702 } #!CB name="LJ C601 C702" interaction lennardjones f=0.00106 r0=6.3697 { 601 703 } #!CB name="LJ C601 C703" interaction lennardjones f=0.00106 r0=6.3697 { 601 704 } #!CB name="LJ C601 C704" interaction lennardjones f=0.00106 r0=6.3697 { 601 705 } #!CB name="LJ C601 C705" interaction lennardjones f=0.00106 r0=6.3697 { 602 700 } #!CB name="LJ C602 C700" interaction lennardjones f=0.00106 r0=6.3697 { 602 701 } #!CB name="LJ C602 C701" interaction lennardjones f=0.00106 r0=6.3697 { 602 702 } #!CB name="LJ C602 C702" interaction lennardjones f=0.00106 r0=6.3697 { 602 703 } #!CB name="LJ C602 C703" interaction lennardjones f=0.00106 r0=6.3697 { 602 704 } #!CB name="LJ C602 C704" interaction lennardjones f=0.00106 r0=6.3697 { 602 705 } #!CB name="LJ C602 C705" interaction lennardjones f=0.00106 r0=6.3697 { 603 700 } #!CB name="LJ C603 C700" interaction lennardjones f=0.00106 r0=6.3697 { 603 701 } #!CB name="LJ C603 C701" interaction lennardjones f=0.00106 r0=6.3697 { 603 702 } #!CB name="LJ C603 C702" interaction lennardjones f=0.00106 r0=6.3697 { 603 703 } #!CB name="LJ C603 C703" interaction lennardjones f=0.00106 r0=6.3697 { 603 704 } #!CB name="LJ C603 C704" interaction lennardjones f=0.00106 r0=6.3697 { 603 705 } #!CB name="LJ C603 C705" interaction lennardjones f=0.00106 r0=6.3697 { 604 700 } #!CB name="LJ C604 C700" interaction lennardjones f=0.00106 r0=6.3697 { 604 701 } #!CB name="LJ C604 C701" interaction lennardjones f=0.00106 r0=6.3697 { 604 702 } #!CB name="LJ C604 C702" interaction lennardjones f=0.00106 r0=6.3697 { 604 703 } #!CB name="LJ C604 C703" interaction lennardjones f=0.00106 r0=6.3697 { 604 704 } #!CB name="LJ C604 C704" interaction lennardjones f=0.00106 r0=6.3697 { 604 705 } #!CB name="LJ C604 C705" interaction lennardjones f=0.00106 r0=6.3697 { 605 700 } #!CB name="LJ C605 C700" interaction lennardjones f=0.00106 r0=6.3697 { 605 701 } #!CB name="LJ C605 C701" interaction lennardjones f=0.00106 r0=6.3697 { 605 702 } #!CB name="LJ C605 C702" interaction lennardjones f=0.00106 r0=6.3697 { 605 703 } #!CB name="LJ C605 C703" interaction lennardjones f=0.00106 r0=6.3697 { 605 704 } #!CB name="LJ C605 C704" interaction lennardjones f=0.00106 r0=6.3697 { 605 705 } #!CB name="LJ C605 C705" # Intermolecular interactions interaction coulomb f=1.0 { 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 } #!CB name="Coulomb All Water Molecules" interaction lennardjones f=9.887E-4 r0=5.96 { 15 18 21 24 27 30 33 36 115 118 121 124 127 130 133 136 215 218 221 224 227 230 233 236 315 318 321 324 327 330 333 336 415 418 421 424 427 430 433 436 515 518 521 524 527 530 533 536 615 618 621 624 627 630 633 636 715 718 721 724 727 730 733 736 } #!CB name="LJ All Oxygen" interaction lennardjones f=6.644E-4 r0=6.334 { 0 15 } #!CB name="LJ C0 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 6 15 } #!CB name="LJ H6 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 0 18 } #!CB name="LJ C0 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 6 18 } #!CB name="LJ H6 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 0 21 } #!CB name="LJ C0 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 6 21 } #!CB name="LJ H6 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 0 24 } #!CB name="LJ C0 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 6 24 } #!CB name="LJ H6 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 0 27 } #!CB name="LJ C0 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 6 27 } #!CB name="LJ H6 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 0 30 } #!CB name="LJ C0 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 6 30 } #!CB name="LJ H6 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 0 33 } #!CB name="LJ C0 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 6 33 } #!CB name="LJ H6 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 0 36 } #!CB name="LJ C0 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 6 36 } #!CB name="LJ H6 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 0 115 } #!CB name="LJ C0 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 6 115 } #!CB name="LJ H6 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 0 118 } #!CB name="LJ C0 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 6 118 } #!CB name="LJ H6 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 0 121 } #!CB name="LJ C0 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 6 121 } #!CB name="LJ H6 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 0 124 } #!CB name="LJ C0 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 6 124 } #!CB name="LJ H6 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 0 127 } #!CB name="LJ C0 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 6 127 } #!CB name="LJ H6 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 0 130 } #!CB name="LJ C0 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 6 130 } #!CB name="LJ H6 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 0 133 } #!CB name="LJ C0 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 6 133 } #!CB name="LJ H6 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 0 136 } #!CB name="LJ C0 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 6 136 } #!CB name="LJ H6 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 0 215 } #!CB name="LJ C0 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 6 215 } #!CB name="LJ H6 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 0 218 } #!CB name="LJ C0 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 6 218 } #!CB name="LJ H6 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 0 221 } #!CB name="LJ C0 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 6 221 } #!CB name="LJ H6 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 0 224 } #!CB name="LJ C0 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 6 224 } #!CB name="LJ H6 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 0 227 } #!CB name="LJ C0 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 6 227 } #!CB name="LJ H6 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 0 230 } #!CB name="LJ C0 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 6 230 } #!CB name="LJ H6 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 0 233 } #!CB name="LJ C0 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 6 233 } #!CB name="LJ H6 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 0 236 } #!CB name="LJ C0 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 6 236 } #!CB name="LJ H6 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 0 315 } #!CB name="LJ C0 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 6 315 } #!CB name="LJ H6 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 0 318 } #!CB name="LJ C0 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 6 318 } #!CB name="LJ H6 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 0 321 } #!CB name="LJ C0 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 6 321 } #!CB name="LJ H6 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 0 324 } #!CB name="LJ C0 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 6 324 } #!CB name="LJ H6 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 0 327 } #!CB name="LJ C0 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 6 327 } #!CB name="LJ H6 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 0 330 } #!CB name="LJ C0 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 6 330 } #!CB name="LJ H6 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 0 333 } #!CB name="LJ C0 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 6 333 } #!CB name="LJ H6 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 0 336 } #!CB name="LJ C0 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 6 336 } #!CB name="LJ H6 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 0 415 } #!CB name="LJ C0 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 6 415 } #!CB name="LJ H6 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 0 418 } #!CB name="LJ C0 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 6 418 } #!CB name="LJ H6 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 0 421 } #!CB name="LJ C0 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 6 421 } #!CB name="LJ H6 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 0 424 } #!CB name="LJ C0 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 6 424 } #!CB name="LJ H6 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 0 427 } #!CB name="LJ C0 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 6 427 } #!CB name="LJ H6 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 0 430 } #!CB name="LJ C0 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 6 430 } #!CB name="LJ H6 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 0 433 } #!CB name="LJ C0 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 6 433 } #!CB name="LJ H6 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 0 436 } #!CB name="LJ C0 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 6 436 } #!CB name="LJ H6 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 0 515 } #!CB name="LJ C0 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 6 515 } #!CB name="LJ H6 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 0 518 } #!CB name="LJ C0 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 6 518 } #!CB name="LJ H6 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 0 521 } #!CB name="LJ C0 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 6 521 } #!CB name="LJ H6 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 0 524 } #!CB name="LJ C0 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 6 524 } #!CB name="LJ H6 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 0 527 } #!CB name="LJ C0 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 6 527 } #!CB name="LJ H6 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 0 530 } #!CB name="LJ C0 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 6 530 } #!CB name="LJ H6 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 0 533 } #!CB name="LJ C0 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 6 533 } #!CB name="LJ H6 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 0 536 } #!CB name="LJ C0 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 6 536 } #!CB name="LJ H6 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 0 615 } #!CB name="LJ C0 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 6 615 } #!CB name="LJ H6 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 0 618 } #!CB name="LJ C0 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 6 618 } #!CB name="LJ H6 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 0 621 } #!CB name="LJ C0 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 6 621 } #!CB name="LJ H6 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 0 624 } #!CB name="LJ C0 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 6 624 } #!CB name="LJ H6 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 0 627 } #!CB name="LJ C0 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 6 627 } #!CB name="LJ H6 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 0 630 } #!CB name="LJ C0 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 6 630 } #!CB name="LJ H6 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 0 633 } #!CB name="LJ C0 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 6 633 } #!CB name="LJ H6 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 0 636 } #!CB name="LJ C0 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 6 636 } #!CB name="LJ H6 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 0 715 } #!CB name="LJ C0 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 6 715 } #!CB name="LJ H6 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 0 718 } #!CB name="LJ C0 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 6 718 } #!CB name="LJ H6 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 0 721 } #!CB name="LJ C0 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 6 721 } #!CB name="LJ H6 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 0 724 } #!CB name="LJ C0 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 6 724 } #!CB name="LJ H6 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 0 727 } #!CB name="LJ C0 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 6 727 } #!CB name="LJ H6 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 0 730 } #!CB name="LJ C0 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 6 730 } #!CB name="LJ H6 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 0 733 } #!CB name="LJ C0 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 6 733 } #!CB name="LJ H6 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 0 736 } #!CB name="LJ C0 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 6 736 } #!CB name="LJ H6 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 1 15 } #!CB name="LJ C1 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 7 15 } #!CB name="LJ H7 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 1 18 } #!CB name="LJ C1 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 7 18 } #!CB name="LJ H7 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 1 21 } #!CB name="LJ C1 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 7 21 } #!CB name="LJ H7 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 1 24 } #!CB name="LJ C1 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 7 24 } #!CB name="LJ H7 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 1 27 } #!CB name="LJ C1 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 7 27 } #!CB name="LJ H7 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 1 30 } #!CB name="LJ C1 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 7 30 } #!CB name="LJ H7 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 1 33 } #!CB name="LJ C1 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 7 33 } #!CB name="LJ H7 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 1 36 } #!CB name="LJ C1 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 7 36 } #!CB name="LJ H7 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 1 115 } #!CB name="LJ C1 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 7 115 } #!CB name="LJ H7 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 1 118 } #!CB name="LJ C1 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 7 118 } #!CB name="LJ H7 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 1 121 } #!CB name="LJ C1 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 7 121 } #!CB name="LJ H7 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 1 124 } #!CB name="LJ C1 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 7 124 } #!CB name="LJ H7 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 1 127 } #!CB name="LJ C1 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 7 127 } #!CB name="LJ H7 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 1 130 } #!CB name="LJ C1 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 7 130 } #!CB name="LJ H7 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 1 133 } #!CB name="LJ C1 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 7 133 } #!CB name="LJ H7 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 1 136 } #!CB name="LJ C1 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 7 136 } #!CB name="LJ H7 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 1 215 } #!CB name="LJ C1 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 7 215 } #!CB name="LJ H7 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 1 218 } #!CB name="LJ C1 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 7 218 } #!CB name="LJ H7 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 1 221 } #!CB name="LJ C1 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 7 221 } #!CB name="LJ H7 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 1 224 } #!CB name="LJ C1 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 7 224 } #!CB name="LJ H7 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 1 227 } #!CB name="LJ C1 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 7 227 } #!CB name="LJ H7 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 1 230 } #!CB name="LJ C1 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 7 230 } #!CB name="LJ H7 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 1 233 } #!CB name="LJ C1 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 7 233 } #!CB name="LJ H7 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 1 236 } #!CB name="LJ C1 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 7 236 } #!CB name="LJ H7 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 1 315 } #!CB name="LJ C1 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 7 315 } #!CB name="LJ H7 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 1 318 } #!CB name="LJ C1 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 7 318 } #!CB name="LJ H7 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 1 321 } #!CB name="LJ C1 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 7 321 } #!CB name="LJ H7 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 1 324 } #!CB name="LJ C1 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 7 324 } #!CB name="LJ H7 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 1 327 } #!CB name="LJ C1 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 7 327 } #!CB name="LJ H7 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 1 330 } #!CB name="LJ C1 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 7 330 } #!CB name="LJ H7 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 1 333 } #!CB name="LJ C1 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 7 333 } #!CB name="LJ H7 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 1 336 } #!CB name="LJ C1 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 7 336 } #!CB name="LJ H7 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 1 415 } #!CB name="LJ C1 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 7 415 } #!CB name="LJ H7 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 1 418 } #!CB name="LJ C1 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 7 418 } #!CB name="LJ H7 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 1 421 } #!CB name="LJ C1 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 7 421 } #!CB name="LJ H7 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 1 424 } #!CB name="LJ C1 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 7 424 } #!CB name="LJ H7 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 1 427 } #!CB name="LJ C1 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 7 427 } #!CB name="LJ H7 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 1 430 } #!CB name="LJ C1 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 7 430 } #!CB name="LJ H7 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 1 433 } #!CB name="LJ C1 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 7 433 } #!CB name="LJ H7 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 1 436 } #!CB name="LJ C1 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 7 436 } #!CB name="LJ H7 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 1 515 } #!CB name="LJ C1 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 7 515 } #!CB name="LJ H7 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 1 518 } #!CB name="LJ C1 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 7 518 } #!CB name="LJ H7 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 1 521 } #!CB name="LJ C1 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 7 521 } #!CB name="LJ H7 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 1 524 } #!CB name="LJ C1 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 7 524 } #!CB name="LJ H7 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 1 527 } #!CB name="LJ C1 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 7 527 } #!CB name="LJ H7 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 1 530 } #!CB name="LJ C1 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 7 530 } #!CB name="LJ H7 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 1 533 } #!CB name="LJ C1 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 7 533 } #!CB name="LJ H7 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 1 536 } #!CB name="LJ C1 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 7 536 } #!CB name="LJ H7 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 1 615 } #!CB name="LJ C1 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 7 615 } #!CB name="LJ H7 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 1 618 } #!CB name="LJ C1 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 7 618 } #!CB name="LJ H7 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 1 621 } #!CB name="LJ C1 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 7 621 } #!CB name="LJ H7 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 1 624 } #!CB name="LJ C1 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 7 624 } #!CB name="LJ H7 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 1 627 } #!CB name="LJ C1 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 7 627 } #!CB name="LJ H7 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 1 630 } #!CB name="LJ C1 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 7 630 } #!CB name="LJ H7 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 1 633 } #!CB name="LJ C1 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 7 633 } #!CB name="LJ H7 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 1 636 } #!CB name="LJ C1 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 7 636 } #!CB name="LJ H7 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 1 715 } #!CB name="LJ C1 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 7 715 } #!CB name="LJ H7 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 1 718 } #!CB name="LJ C1 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 7 718 } #!CB name="LJ H7 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 1 721 } #!CB name="LJ C1 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 7 721 } #!CB name="LJ H7 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 1 724 } #!CB name="LJ C1 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 7 724 } #!CB name="LJ H7 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 1 727 } #!CB name="LJ C1 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 7 727 } #!CB name="LJ H7 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 1 730 } #!CB name="LJ C1 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 7 730 } #!CB name="LJ H7 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 1 733 } #!CB name="LJ C1 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 7 733 } #!CB name="LJ H7 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 1 736 } #!CB name="LJ C1 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 7 736 } #!CB name="LJ H7 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 2 15 } #!CB name="LJ C2 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 8 15 } #!CB name="LJ H8 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 2 18 } #!CB name="LJ C2 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 8 18 } #!CB name="LJ H8 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 2 21 } #!CB name="LJ C2 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 8 21 } #!CB name="LJ H8 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 2 24 } #!CB name="LJ C2 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 8 24 } #!CB name="LJ H8 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 2 27 } #!CB name="LJ C2 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 8 27 } #!CB name="LJ H8 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 2 30 } #!CB name="LJ C2 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 8 30 } #!CB name="LJ H8 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 2 33 } #!CB name="LJ C2 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 8 33 } #!CB name="LJ H8 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 2 36 } #!CB name="LJ C2 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 8 36 } #!CB name="LJ H8 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 2 115 } #!CB name="LJ C2 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 8 115 } #!CB name="LJ H8 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 2 118 } #!CB name="LJ C2 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 8 118 } #!CB name="LJ H8 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 2 121 } #!CB name="LJ C2 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 8 121 } #!CB name="LJ H8 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 2 124 } #!CB name="LJ C2 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 8 124 } #!CB name="LJ H8 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 2 127 } #!CB name="LJ C2 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 8 127 } #!CB name="LJ H8 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 2 130 } #!CB name="LJ C2 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 8 130 } #!CB name="LJ H8 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 2 133 } #!CB name="LJ C2 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 8 133 } #!CB name="LJ H8 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 2 136 } #!CB name="LJ C2 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 8 136 } #!CB name="LJ H8 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 2 215 } #!CB name="LJ C2 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 8 215 } #!CB name="LJ H8 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 2 218 } #!CB name="LJ C2 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 8 218 } #!CB name="LJ H8 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 2 221 } #!CB name="LJ C2 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 8 221 } #!CB name="LJ H8 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 2 224 } #!CB name="LJ C2 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 8 224 } #!CB name="LJ H8 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 2 227 } #!CB name="LJ C2 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 8 227 } #!CB name="LJ H8 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 2 230 } #!CB name="LJ C2 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 8 230 } #!CB name="LJ H8 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 2 233 } #!CB name="LJ C2 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 8 233 } #!CB name="LJ H8 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 2 236 } #!CB name="LJ C2 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 8 236 } #!CB name="LJ H8 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 2 315 } #!CB name="LJ C2 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 8 315 } #!CB name="LJ H8 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 2 318 } #!CB name="LJ C2 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 8 318 } #!CB name="LJ H8 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 2 321 } #!CB name="LJ C2 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 8 321 } #!CB name="LJ H8 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 2 324 } #!CB name="LJ C2 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 8 324 } #!CB name="LJ H8 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 2 327 } #!CB name="LJ C2 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 8 327 } #!CB name="LJ H8 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 2 330 } #!CB name="LJ C2 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 8 330 } #!CB name="LJ H8 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 2 333 } #!CB name="LJ C2 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 8 333 } #!CB name="LJ H8 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 2 336 } #!CB name="LJ C2 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 8 336 } #!CB name="LJ H8 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 2 415 } #!CB name="LJ C2 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 8 415 } #!CB name="LJ H8 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 2 418 } #!CB name="LJ C2 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 8 418 } #!CB name="LJ H8 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 2 421 } #!CB name="LJ C2 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 8 421 } #!CB name="LJ H8 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 2 424 } #!CB name="LJ C2 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 8 424 } #!CB name="LJ H8 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 2 427 } #!CB name="LJ C2 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 8 427 } #!CB name="LJ H8 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 2 430 } #!CB name="LJ C2 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 8 430 } #!CB name="LJ H8 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 2 433 } #!CB name="LJ C2 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 8 433 } #!CB name="LJ H8 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 2 436 } #!CB name="LJ C2 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 8 436 } #!CB name="LJ H8 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 2 515 } #!CB name="LJ C2 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 8 515 } #!CB name="LJ H8 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 2 518 } #!CB name="LJ C2 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 8 518 } #!CB name="LJ H8 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 2 521 } #!CB name="LJ C2 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 8 521 } #!CB name="LJ H8 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 2 524 } #!CB name="LJ C2 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 8 524 } #!CB name="LJ H8 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 2 527 } #!CB name="LJ C2 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 8 527 } #!CB name="LJ H8 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 2 530 } #!CB name="LJ C2 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 8 530 } #!CB name="LJ H8 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 2 533 } #!CB name="LJ C2 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 8 533 } #!CB name="LJ H8 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 2 536 } #!CB name="LJ C2 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 8 536 } #!CB name="LJ H8 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 2 615 } #!CB name="LJ C2 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 8 615 } #!CB name="LJ H8 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 2 618 } #!CB name="LJ C2 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 8 618 } #!CB name="LJ H8 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 2 621 } #!CB name="LJ C2 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 8 621 } #!CB name="LJ H8 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 2 624 } #!CB name="LJ C2 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 8 624 } #!CB name="LJ H8 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 2 627 } #!CB name="LJ C2 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 8 627 } #!CB name="LJ H8 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 2 630 } #!CB name="LJ C2 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 8 630 } #!CB name="LJ H8 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 2 633 } #!CB name="LJ C2 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 8 633 } #!CB name="LJ H8 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 2 636 } #!CB name="LJ C2 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 8 636 } #!CB name="LJ H8 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 2 715 } #!CB name="LJ C2 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 8 715 } #!CB name="LJ H8 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 2 718 } #!CB name="LJ C2 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 8 718 } #!CB name="LJ H8 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 2 721 } #!CB name="LJ C2 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 8 721 } #!CB name="LJ H8 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 2 724 } #!CB name="LJ C2 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 8 724 } #!CB name="LJ H8 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 2 727 } #!CB name="LJ C2 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 8 727 } #!CB name="LJ H8 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 2 730 } #!CB name="LJ C2 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 8 730 } #!CB name="LJ H8 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 2 733 } #!CB name="LJ C2 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 8 733 } #!CB name="LJ H8 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 2 736 } #!CB name="LJ C2 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 8 736 } #!CB name="LJ H8 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 3 15 } #!CB name="LJ C3 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 9 15 } #!CB name="LJ H9 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 3 18 } #!CB name="LJ C3 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 9 18 } #!CB name="LJ H9 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 3 21 } #!CB name="LJ C3 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 9 21 } #!CB name="LJ H9 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 3 24 } #!CB name="LJ C3 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 9 24 } #!CB name="LJ H9 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 3 27 } #!CB name="LJ C3 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 9 27 } #!CB name="LJ H9 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 3 30 } #!CB name="LJ C3 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 9 30 } #!CB name="LJ H9 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 3 33 } #!CB name="LJ C3 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 9 33 } #!CB name="LJ H9 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 3 36 } #!CB name="LJ C3 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 9 36 } #!CB name="LJ H9 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 3 115 } #!CB name="LJ C3 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 9 115 } #!CB name="LJ H9 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 3 118 } #!CB name="LJ C3 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 9 118 } #!CB name="LJ H9 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 3 121 } #!CB name="LJ C3 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 9 121 } #!CB name="LJ H9 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 3 124 } #!CB name="LJ C3 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 9 124 } #!CB name="LJ H9 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 3 127 } #!CB name="LJ C3 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 9 127 } #!CB name="LJ H9 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 3 130 } #!CB name="LJ C3 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 9 130 } #!CB name="LJ H9 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 3 133 } #!CB name="LJ C3 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 9 133 } #!CB name="LJ H9 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 3 136 } #!CB name="LJ C3 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 9 136 } #!CB name="LJ H9 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 3 215 } #!CB name="LJ C3 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 9 215 } #!CB name="LJ H9 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 3 218 } #!CB name="LJ C3 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 9 218 } #!CB name="LJ H9 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 3 221 } #!CB name="LJ C3 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 9 221 } #!CB name="LJ H9 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 3 224 } #!CB name="LJ C3 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 9 224 } #!CB name="LJ H9 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 3 227 } #!CB name="LJ C3 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 9 227 } #!CB name="LJ H9 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 3 230 } #!CB name="LJ C3 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 9 230 } #!CB name="LJ H9 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 3 233 } #!CB name="LJ C3 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 9 233 } #!CB name="LJ H9 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 3 236 } #!CB name="LJ C3 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 9 236 } #!CB name="LJ H9 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 3 315 } #!CB name="LJ C3 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 9 315 } #!CB name="LJ H9 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 3 318 } #!CB name="LJ C3 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 9 318 } #!CB name="LJ H9 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 3 321 } #!CB name="LJ C3 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 9 321 } #!CB name="LJ H9 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 3 324 } #!CB name="LJ C3 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 9 324 } #!CB name="LJ H9 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 3 327 } #!CB name="LJ C3 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 9 327 } #!CB name="LJ H9 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 3 330 } #!CB name="LJ C3 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 9 330 } #!CB name="LJ H9 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 3 333 } #!CB name="LJ C3 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 9 333 } #!CB name="LJ H9 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 3 336 } #!CB name="LJ C3 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 9 336 } #!CB name="LJ H9 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 3 415 } #!CB name="LJ C3 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 9 415 } #!CB name="LJ H9 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 3 418 } #!CB name="LJ C3 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 9 418 } #!CB name="LJ H9 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 3 421 } #!CB name="LJ C3 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 9 421 } #!CB name="LJ H9 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 3 424 } #!CB name="LJ C3 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 9 424 } #!CB name="LJ H9 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 3 427 } #!CB name="LJ C3 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 9 427 } #!CB name="LJ H9 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 3 430 } #!CB name="LJ C3 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 9 430 } #!CB name="LJ H9 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 3 433 } #!CB name="LJ C3 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 9 433 } #!CB name="LJ H9 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 3 436 } #!CB name="LJ C3 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 9 436 } #!CB name="LJ H9 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 3 515 } #!CB name="LJ C3 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 9 515 } #!CB name="LJ H9 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 3 518 } #!CB name="LJ C3 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 9 518 } #!CB name="LJ H9 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 3 521 } #!CB name="LJ C3 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 9 521 } #!CB name="LJ H9 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 3 524 } #!CB name="LJ C3 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 9 524 } #!CB name="LJ H9 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 3 527 } #!CB name="LJ C3 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 9 527 } #!CB name="LJ H9 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 3 530 } #!CB name="LJ C3 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 9 530 } #!CB name="LJ H9 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 3 533 } #!CB name="LJ C3 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 9 533 } #!CB name="LJ H9 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 3 536 } #!CB name="LJ C3 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 9 536 } #!CB name="LJ H9 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 3 615 } #!CB name="LJ C3 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 9 615 } #!CB name="LJ H9 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 3 618 } #!CB name="LJ C3 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 9 618 } #!CB name="LJ H9 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 3 621 } #!CB name="LJ C3 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 9 621 } #!CB name="LJ H9 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 3 624 } #!CB name="LJ C3 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 9 624 } #!CB name="LJ H9 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 3 627 } #!CB name="LJ C3 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 9 627 } #!CB name="LJ H9 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 3 630 } #!CB name="LJ C3 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 9 630 } #!CB name="LJ H9 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 3 633 } #!CB name="LJ C3 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 9 633 } #!CB name="LJ H9 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 3 636 } #!CB name="LJ C3 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 9 636 } #!CB name="LJ H9 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 3 715 } #!CB name="LJ C3 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 9 715 } #!CB name="LJ H9 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 3 718 } #!CB name="LJ C3 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 9 718 } #!CB name="LJ H9 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 3 721 } #!CB name="LJ C3 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 9 721 } #!CB name="LJ H9 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 3 724 } #!CB name="LJ C3 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 9 724 } #!CB name="LJ H9 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 3 727 } #!CB name="LJ C3 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 9 727 } #!CB name="LJ H9 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 3 730 } #!CB name="LJ C3 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 9 730 } #!CB name="LJ H9 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 3 733 } #!CB name="LJ C3 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 9 733 } #!CB name="LJ H9 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 3 736 } #!CB name="LJ C3 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 9 736 } #!CB name="LJ H9 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 4 15 } #!CB name="LJ C4 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 10 15 } #!CB name="LJ H10 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 4 18 } #!CB name="LJ C4 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 10 18 } #!CB name="LJ H10 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 4 21 } #!CB name="LJ C4 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 10 21 } #!CB name="LJ H10 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 4 24 } #!CB name="LJ C4 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 10 24 } #!CB name="LJ H10 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 4 27 } #!CB name="LJ C4 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 10 27 } #!CB name="LJ H10 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 4 30 } #!CB name="LJ C4 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 10 30 } #!CB name="LJ H10 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 4 33 } #!CB name="LJ C4 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 10 33 } #!CB name="LJ H10 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 4 36 } #!CB name="LJ C4 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 10 36 } #!CB name="LJ H10 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 4 115 } #!CB name="LJ C4 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 10 115 } #!CB name="LJ H10 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 4 118 } #!CB name="LJ C4 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 10 118 } #!CB name="LJ H10 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 4 121 } #!CB name="LJ C4 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 10 121 } #!CB name="LJ H10 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 4 124 } #!CB name="LJ C4 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 10 124 } #!CB name="LJ H10 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 4 127 } #!CB name="LJ C4 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 10 127 } #!CB name="LJ H10 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 4 130 } #!CB name="LJ C4 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 10 130 } #!CB name="LJ H10 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 4 133 } #!CB name="LJ C4 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 10 133 } #!CB name="LJ H10 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 4 136 } #!CB name="LJ C4 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 10 136 } #!CB name="LJ H10 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 4 215 } #!CB name="LJ C4 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 10 215 } #!CB name="LJ H10 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 4 218 } #!CB name="LJ C4 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 10 218 } #!CB name="LJ H10 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 4 221 } #!CB name="LJ C4 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 10 221 } #!CB name="LJ H10 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 4 224 } #!CB name="LJ C4 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 10 224 } #!CB name="LJ H10 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 4 227 } #!CB name="LJ C4 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 10 227 } #!CB name="LJ H10 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 4 230 } #!CB name="LJ C4 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 10 230 } #!CB name="LJ H10 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 4 233 } #!CB name="LJ C4 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 10 233 } #!CB name="LJ H10 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 4 236 } #!CB name="LJ C4 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 10 236 } #!CB name="LJ H10 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 4 315 } #!CB name="LJ C4 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 10 315 } #!CB name="LJ H10 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 4 318 } #!CB name="LJ C4 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 10 318 } #!CB name="LJ H10 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 4 321 } #!CB name="LJ C4 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 10 321 } #!CB name="LJ H10 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 4 324 } #!CB name="LJ C4 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 10 324 } #!CB name="LJ H10 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 4 327 } #!CB name="LJ C4 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 10 327 } #!CB name="LJ H10 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 4 330 } #!CB name="LJ C4 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 10 330 } #!CB name="LJ H10 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 4 333 } #!CB name="LJ C4 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 10 333 } #!CB name="LJ H10 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 4 336 } #!CB name="LJ C4 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 10 336 } #!CB name="LJ H10 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 4 415 } #!CB name="LJ C4 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 10 415 } #!CB name="LJ H10 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 4 418 } #!CB name="LJ C4 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 10 418 } #!CB name="LJ H10 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 4 421 } #!CB name="LJ C4 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 10 421 } #!CB name="LJ H10 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 4 424 } #!CB name="LJ C4 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 10 424 } #!CB name="LJ H10 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 4 427 } #!CB name="LJ C4 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 10 427 } #!CB name="LJ H10 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 4 430 } #!CB name="LJ C4 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 10 430 } #!CB name="LJ H10 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 4 433 } #!CB name="LJ C4 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 10 433 } #!CB name="LJ H10 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 4 436 } #!CB name="LJ C4 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 10 436 } #!CB name="LJ H10 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 4 515 } #!CB name="LJ C4 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 10 515 } #!CB name="LJ H10 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 4 518 } #!CB name="LJ C4 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 10 518 } #!CB name="LJ H10 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 4 521 } #!CB name="LJ C4 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 10 521 } #!CB name="LJ H10 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 4 524 } #!CB name="LJ C4 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 10 524 } #!CB name="LJ H10 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 4 527 } #!CB name="LJ C4 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 10 527 } #!CB name="LJ H10 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 4 530 } #!CB name="LJ C4 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 10 530 } #!CB name="LJ H10 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 4 533 } #!CB name="LJ C4 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 10 533 } #!CB name="LJ H10 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 4 536 } #!CB name="LJ C4 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 10 536 } #!CB name="LJ H10 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 4 615 } #!CB name="LJ C4 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 10 615 } #!CB name="LJ H10 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 4 618 } #!CB name="LJ C4 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 10 618 } #!CB name="LJ H10 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 4 621 } #!CB name="LJ C4 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 10 621 } #!CB name="LJ H10 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 4 624 } #!CB name="LJ C4 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 10 624 } #!CB name="LJ H10 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 4 627 } #!CB name="LJ C4 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 10 627 } #!CB name="LJ H10 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 4 630 } #!CB name="LJ C4 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 10 630 } #!CB name="LJ H10 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 4 633 } #!CB name="LJ C4 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 10 633 } #!CB name="LJ H10 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 4 636 } #!CB name="LJ C4 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 10 636 } #!CB name="LJ H10 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 4 715 } #!CB name="LJ C4 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 10 715 } #!CB name="LJ H10 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 4 718 } #!CB name="LJ C4 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 10 718 } #!CB name="LJ H10 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 4 721 } #!CB name="LJ C4 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 10 721 } #!CB name="LJ H10 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 4 724 } #!CB name="LJ C4 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 10 724 } #!CB name="LJ H10 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 4 727 } #!CB name="LJ C4 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 10 727 } #!CB name="LJ H10 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 4 730 } #!CB name="LJ C4 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 10 730 } #!CB name="LJ H10 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 4 733 } #!CB name="LJ C4 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 10 733 } #!CB name="LJ H10 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 4 736 } #!CB name="LJ C4 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 10 736 } #!CB name="LJ H10 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 5 15 } #!CB name="LJ C5 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 11 15 } #!CB name="LJ H11 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 5 18 } #!CB name="LJ C5 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 11 18 } #!CB name="LJ H11 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 5 21 } #!CB name="LJ C5 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 11 21 } #!CB name="LJ H11 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 5 24 } #!CB name="LJ C5 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 11 24 } #!CB name="LJ H11 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 5 27 } #!CB name="LJ C5 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 11 27 } #!CB name="LJ H11 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 5 30 } #!CB name="LJ C5 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 11 30 } #!CB name="LJ H11 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 5 33 } #!CB name="LJ C5 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 11 33 } #!CB name="LJ H11 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 5 36 } #!CB name="LJ C5 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 11 36 } #!CB name="LJ H11 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 5 115 } #!CB name="LJ C5 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 11 115 } #!CB name="LJ H11 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 5 118 } #!CB name="LJ C5 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 11 118 } #!CB name="LJ H11 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 5 121 } #!CB name="LJ C5 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 11 121 } #!CB name="LJ H11 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 5 124 } #!CB name="LJ C5 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 11 124 } #!CB name="LJ H11 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 5 127 } #!CB name="LJ C5 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 11 127 } #!CB name="LJ H11 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 5 130 } #!CB name="LJ C5 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 11 130 } #!CB name="LJ H11 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 5 133 } #!CB name="LJ C5 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 11 133 } #!CB name="LJ H11 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 5 136 } #!CB name="LJ C5 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 11 136 } #!CB name="LJ H11 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 5 215 } #!CB name="LJ C5 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 11 215 } #!CB name="LJ H11 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 5 218 } #!CB name="LJ C5 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 11 218 } #!CB name="LJ H11 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 5 221 } #!CB name="LJ C5 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 11 221 } #!CB name="LJ H11 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 5 224 } #!CB name="LJ C5 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 11 224 } #!CB name="LJ H11 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 5 227 } #!CB name="LJ C5 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 11 227 } #!CB name="LJ H11 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 5 230 } #!CB name="LJ C5 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 11 230 } #!CB name="LJ H11 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 5 233 } #!CB name="LJ C5 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 11 233 } #!CB name="LJ H11 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 5 236 } #!CB name="LJ C5 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 11 236 } #!CB name="LJ H11 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 5 315 } #!CB name="LJ C5 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 11 315 } #!CB name="LJ H11 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 5 318 } #!CB name="LJ C5 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 11 318 } #!CB name="LJ H11 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 5 321 } #!CB name="LJ C5 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 11 321 } #!CB name="LJ H11 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 5 324 } #!CB name="LJ C5 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 11 324 } #!CB name="LJ H11 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 5 327 } #!CB name="LJ C5 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 11 327 } #!CB name="LJ H11 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 5 330 } #!CB name="LJ C5 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 11 330 } #!CB name="LJ H11 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 5 333 } #!CB name="LJ C5 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 11 333 } #!CB name="LJ H11 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 5 336 } #!CB name="LJ C5 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 11 336 } #!CB name="LJ H11 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 5 415 } #!CB name="LJ C5 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 11 415 } #!CB name="LJ H11 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 5 418 } #!CB name="LJ C5 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 11 418 } #!CB name="LJ H11 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 5 421 } #!CB name="LJ C5 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 11 421 } #!CB name="LJ H11 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 5 424 } #!CB name="LJ C5 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 11 424 } #!CB name="LJ H11 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 5 427 } #!CB name="LJ C5 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 11 427 } #!CB name="LJ H11 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 5 430 } #!CB name="LJ C5 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 11 430 } #!CB name="LJ H11 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 5 433 } #!CB name="LJ C5 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 11 433 } #!CB name="LJ H11 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 5 436 } #!CB name="LJ C5 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 11 436 } #!CB name="LJ H11 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 5 515 } #!CB name="LJ C5 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 11 515 } #!CB name="LJ H11 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 5 518 } #!CB name="LJ C5 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 11 518 } #!CB name="LJ H11 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 5 521 } #!CB name="LJ C5 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 11 521 } #!CB name="LJ H11 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 5 524 } #!CB name="LJ C5 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 11 524 } #!CB name="LJ H11 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 5 527 } #!CB name="LJ C5 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 11 527 } #!CB name="LJ H11 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 5 530 } #!CB name="LJ C5 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 11 530 } #!CB name="LJ H11 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 5 533 } #!CB name="LJ C5 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 11 533 } #!CB name="LJ H11 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 5 536 } #!CB name="LJ C5 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 11 536 } #!CB name="LJ H11 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 5 615 } #!CB name="LJ C5 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 11 615 } #!CB name="LJ H11 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 5 618 } #!CB name="LJ C5 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 11 618 } #!CB name="LJ H11 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 5 621 } #!CB name="LJ C5 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 11 621 } #!CB name="LJ H11 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 5 624 } #!CB name="LJ C5 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 11 624 } #!CB name="LJ H11 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 5 627 } #!CB name="LJ C5 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 11 627 } #!CB name="LJ H11 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 5 630 } #!CB name="LJ C5 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 11 630 } #!CB name="LJ H11 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 5 633 } #!CB name="LJ C5 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 11 633 } #!CB name="LJ H11 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 5 636 } #!CB name="LJ C5 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 11 636 } #!CB name="LJ H11 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 5 715 } #!CB name="LJ C5 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 11 715 } #!CB name="LJ H11 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 5 718 } #!CB name="LJ C5 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 11 718 } #!CB name="LJ H11 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 5 721 } #!CB name="LJ C5 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 11 721 } #!CB name="LJ H11 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 5 724 } #!CB name="LJ C5 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 11 724 } #!CB name="LJ H11 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 5 727 } #!CB name="LJ C5 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 11 727 } #!CB name="LJ H11 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 5 730 } #!CB name="LJ C5 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 11 730 } #!CB name="LJ H11 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 5 733 } #!CB name="LJ C5 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 11 733 } #!CB name="LJ H11 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 5 736 } #!CB name="LJ C5 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 11 736 } #!CB name="LJ H11 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 100 15 } #!CB name="LJ C100 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 106 15 } #!CB name="LJ H106 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 100 18 } #!CB name="LJ C100 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 106 18 } #!CB name="LJ H106 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 100 21 } #!CB name="LJ C100 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 106 21 } #!CB name="LJ H106 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 100 24 } #!CB name="LJ C100 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 106 24 } #!CB name="LJ H106 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 100 27 } #!CB name="LJ C100 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 106 27 } #!CB name="LJ H106 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 100 30 } #!CB name="LJ C100 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 106 30 } #!CB name="LJ H106 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 100 33 } #!CB name="LJ C100 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 106 33 } #!CB name="LJ H106 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 100 36 } #!CB name="LJ C100 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 106 36 } #!CB name="LJ H106 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 100 115 } #!CB name="LJ C100 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 106 115 } #!CB name="LJ H106 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 100 118 } #!CB name="LJ C100 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 106 118 } #!CB name="LJ H106 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 100 121 } #!CB name="LJ C100 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 106 121 } #!CB name="LJ H106 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 100 124 } #!CB name="LJ C100 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 106 124 } #!CB name="LJ H106 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 100 127 } #!CB name="LJ C100 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 106 127 } #!CB name="LJ H106 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 100 130 } #!CB name="LJ C100 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 106 130 } #!CB name="LJ H106 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 100 133 } #!CB name="LJ C100 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 106 133 } #!CB name="LJ H106 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 100 136 } #!CB name="LJ C100 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 106 136 } #!CB name="LJ H106 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 100 215 } #!CB name="LJ C100 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 106 215 } #!CB name="LJ H106 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 100 218 } #!CB name="LJ C100 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 106 218 } #!CB name="LJ H106 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 100 221 } #!CB name="LJ C100 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 106 221 } #!CB name="LJ H106 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 100 224 } #!CB name="LJ C100 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 106 224 } #!CB name="LJ H106 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 100 227 } #!CB name="LJ C100 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 106 227 } #!CB name="LJ H106 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 100 230 } #!CB name="LJ C100 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 106 230 } #!CB name="LJ H106 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 100 233 } #!CB name="LJ C100 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 106 233 } #!CB name="LJ H106 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 100 236 } #!CB name="LJ C100 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 106 236 } #!CB name="LJ H106 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 100 315 } #!CB name="LJ C100 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 106 315 } #!CB name="LJ H106 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 100 318 } #!CB name="LJ C100 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 106 318 } #!CB name="LJ H106 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 100 321 } #!CB name="LJ C100 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 106 321 } #!CB name="LJ H106 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 100 324 } #!CB name="LJ C100 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 106 324 } #!CB name="LJ H106 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 100 327 } #!CB name="LJ C100 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 106 327 } #!CB name="LJ H106 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 100 330 } #!CB name="LJ C100 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 106 330 } #!CB name="LJ H106 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 100 333 } #!CB name="LJ C100 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 106 333 } #!CB name="LJ H106 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 100 336 } #!CB name="LJ C100 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 106 336 } #!CB name="LJ H106 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 100 415 } #!CB name="LJ C100 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 106 415 } #!CB name="LJ H106 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 100 418 } #!CB name="LJ C100 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 106 418 } #!CB name="LJ H106 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 100 421 } #!CB name="LJ C100 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 106 421 } #!CB name="LJ H106 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 100 424 } #!CB name="LJ C100 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 106 424 } #!CB name="LJ H106 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 100 427 } #!CB name="LJ C100 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 106 427 } #!CB name="LJ H106 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 100 430 } #!CB name="LJ C100 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 106 430 } #!CB name="LJ H106 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 100 433 } #!CB name="LJ C100 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 106 433 } #!CB name="LJ H106 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 100 436 } #!CB name="LJ C100 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 106 436 } #!CB name="LJ H106 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 100 515 } #!CB name="LJ C100 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 106 515 } #!CB name="LJ H106 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 100 518 } #!CB name="LJ C100 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 106 518 } #!CB name="LJ H106 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 100 521 } #!CB name="LJ C100 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 106 521 } #!CB name="LJ H106 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 100 524 } #!CB name="LJ C100 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 106 524 } #!CB name="LJ H106 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 100 527 } #!CB name="LJ C100 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 106 527 } #!CB name="LJ H106 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 100 530 } #!CB name="LJ C100 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 106 530 } #!CB name="LJ H106 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 100 533 } #!CB name="LJ C100 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 106 533 } #!CB name="LJ H106 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 100 536 } #!CB name="LJ C100 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 106 536 } #!CB name="LJ H106 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 100 615 } #!CB name="LJ C100 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 106 615 } #!CB name="LJ H106 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 100 618 } #!CB name="LJ C100 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 106 618 } #!CB name="LJ H106 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 100 621 } #!CB name="LJ C100 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 106 621 } #!CB name="LJ H106 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 100 624 } #!CB name="LJ C100 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 106 624 } #!CB name="LJ H106 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 100 627 } #!CB name="LJ C100 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 106 627 } #!CB name="LJ H106 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 100 630 } #!CB name="LJ C100 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 106 630 } #!CB name="LJ H106 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 100 633 } #!CB name="LJ C100 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 106 633 } #!CB name="LJ H106 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 100 636 } #!CB name="LJ C100 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 106 636 } #!CB name="LJ H106 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 100 715 } #!CB name="LJ C100 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 106 715 } #!CB name="LJ H106 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 100 718 } #!CB name="LJ C100 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 106 718 } #!CB name="LJ H106 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 100 721 } #!CB name="LJ C100 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 106 721 } #!CB name="LJ H106 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 100 724 } #!CB name="LJ C100 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 106 724 } #!CB name="LJ H106 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 100 727 } #!CB name="LJ C100 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 106 727 } #!CB name="LJ H106 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 100 730 } #!CB name="LJ C100 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 106 730 } #!CB name="LJ H106 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 100 733 } #!CB name="LJ C100 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 106 733 } #!CB name="LJ H106 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 100 736 } #!CB name="LJ C100 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 106 736 } #!CB name="LJ H106 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 101 15 } #!CB name="LJ C101 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 107 15 } #!CB name="LJ H107 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 101 18 } #!CB name="LJ C101 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 107 18 } #!CB name="LJ H107 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 101 21 } #!CB name="LJ C101 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 107 21 } #!CB name="LJ H107 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 101 24 } #!CB name="LJ C101 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 107 24 } #!CB name="LJ H107 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 101 27 } #!CB name="LJ C101 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 107 27 } #!CB name="LJ H107 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 101 30 } #!CB name="LJ C101 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 107 30 } #!CB name="LJ H107 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 101 33 } #!CB name="LJ C101 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 107 33 } #!CB name="LJ H107 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 101 36 } #!CB name="LJ C101 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 107 36 } #!CB name="LJ H107 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 101 115 } #!CB name="LJ C101 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 107 115 } #!CB name="LJ H107 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 101 118 } #!CB name="LJ C101 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 107 118 } #!CB name="LJ H107 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 101 121 } #!CB name="LJ C101 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 107 121 } #!CB name="LJ H107 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 101 124 } #!CB name="LJ C101 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 107 124 } #!CB name="LJ H107 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 101 127 } #!CB name="LJ C101 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 107 127 } #!CB name="LJ H107 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 101 130 } #!CB name="LJ C101 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 107 130 } #!CB name="LJ H107 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 101 133 } #!CB name="LJ C101 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 107 133 } #!CB name="LJ H107 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 101 136 } #!CB name="LJ C101 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 107 136 } #!CB name="LJ H107 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 101 215 } #!CB name="LJ C101 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 107 215 } #!CB name="LJ H107 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 101 218 } #!CB name="LJ C101 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 107 218 } #!CB name="LJ H107 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 101 221 } #!CB name="LJ C101 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 107 221 } #!CB name="LJ H107 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 101 224 } #!CB name="LJ C101 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 107 224 } #!CB name="LJ H107 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 101 227 } #!CB name="LJ C101 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 107 227 } #!CB name="LJ H107 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 101 230 } #!CB name="LJ C101 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 107 230 } #!CB name="LJ H107 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 101 233 } #!CB name="LJ C101 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 107 233 } #!CB name="LJ H107 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 101 236 } #!CB name="LJ C101 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 107 236 } #!CB name="LJ H107 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 101 315 } #!CB name="LJ C101 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 107 315 } #!CB name="LJ H107 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 101 318 } #!CB name="LJ C101 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 107 318 } #!CB name="LJ H107 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 101 321 } #!CB name="LJ C101 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 107 321 } #!CB name="LJ H107 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 101 324 } #!CB name="LJ C101 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 107 324 } #!CB name="LJ H107 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 101 327 } #!CB name="LJ C101 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 107 327 } #!CB name="LJ H107 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 101 330 } #!CB name="LJ C101 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 107 330 } #!CB name="LJ H107 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 101 333 } #!CB name="LJ C101 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 107 333 } #!CB name="LJ H107 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 101 336 } #!CB name="LJ C101 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 107 336 } #!CB name="LJ H107 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 101 415 } #!CB name="LJ C101 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 107 415 } #!CB name="LJ H107 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 101 418 } #!CB name="LJ C101 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 107 418 } #!CB name="LJ H107 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 101 421 } #!CB name="LJ C101 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 107 421 } #!CB name="LJ H107 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 101 424 } #!CB name="LJ C101 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 107 424 } #!CB name="LJ H107 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 101 427 } #!CB name="LJ C101 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 107 427 } #!CB name="LJ H107 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 101 430 } #!CB name="LJ C101 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 107 430 } #!CB name="LJ H107 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 101 433 } #!CB name="LJ C101 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 107 433 } #!CB name="LJ H107 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 101 436 } #!CB name="LJ C101 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 107 436 } #!CB name="LJ H107 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 101 515 } #!CB name="LJ C101 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 107 515 } #!CB name="LJ H107 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 101 518 } #!CB name="LJ C101 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 107 518 } #!CB name="LJ H107 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 101 521 } #!CB name="LJ C101 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 107 521 } #!CB name="LJ H107 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 101 524 } #!CB name="LJ C101 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 107 524 } #!CB name="LJ H107 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 101 527 } #!CB name="LJ C101 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 107 527 } #!CB name="LJ H107 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 101 530 } #!CB name="LJ C101 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 107 530 } #!CB name="LJ H107 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 101 533 } #!CB name="LJ C101 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 107 533 } #!CB name="LJ H107 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 101 536 } #!CB name="LJ C101 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 107 536 } #!CB name="LJ H107 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 101 615 } #!CB name="LJ C101 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 107 615 } #!CB name="LJ H107 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 101 618 } #!CB name="LJ C101 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 107 618 } #!CB name="LJ H107 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 101 621 } #!CB name="LJ C101 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 107 621 } #!CB name="LJ H107 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 101 624 } #!CB name="LJ C101 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 107 624 } #!CB name="LJ H107 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 101 627 } #!CB name="LJ C101 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 107 627 } #!CB name="LJ H107 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 101 630 } #!CB name="LJ C101 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 107 630 } #!CB name="LJ H107 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 101 633 } #!CB name="LJ C101 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 107 633 } #!CB name="LJ H107 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 101 636 } #!CB name="LJ C101 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 107 636 } #!CB name="LJ H107 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 101 715 } #!CB name="LJ C101 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 107 715 } #!CB name="LJ H107 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 101 718 } #!CB name="LJ C101 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 107 718 } #!CB name="LJ H107 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 101 721 } #!CB name="LJ C101 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 107 721 } #!CB name="LJ H107 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 101 724 } #!CB name="LJ C101 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 107 724 } #!CB name="LJ H107 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 101 727 } #!CB name="LJ C101 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 107 727 } #!CB name="LJ H107 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 101 730 } #!CB name="LJ C101 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 107 730 } #!CB name="LJ H107 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 101 733 } #!CB name="LJ C101 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 107 733 } #!CB name="LJ H107 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 101 736 } #!CB name="LJ C101 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 107 736 } #!CB name="LJ H107 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 102 15 } #!CB name="LJ C102 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 108 15 } #!CB name="LJ H108 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 102 18 } #!CB name="LJ C102 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 108 18 } #!CB name="LJ H108 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 102 21 } #!CB name="LJ C102 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 108 21 } #!CB name="LJ H108 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 102 24 } #!CB name="LJ C102 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 108 24 } #!CB name="LJ H108 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 102 27 } #!CB name="LJ C102 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 108 27 } #!CB name="LJ H108 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 102 30 } #!CB name="LJ C102 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 108 30 } #!CB name="LJ H108 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 102 33 } #!CB name="LJ C102 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 108 33 } #!CB name="LJ H108 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 102 36 } #!CB name="LJ C102 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 108 36 } #!CB name="LJ H108 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 102 115 } #!CB name="LJ C102 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 108 115 } #!CB name="LJ H108 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 102 118 } #!CB name="LJ C102 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 108 118 } #!CB name="LJ H108 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 102 121 } #!CB name="LJ C102 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 108 121 } #!CB name="LJ H108 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 102 124 } #!CB name="LJ C102 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 108 124 } #!CB name="LJ H108 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 102 127 } #!CB name="LJ C102 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 108 127 } #!CB name="LJ H108 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 102 130 } #!CB name="LJ C102 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 108 130 } #!CB name="LJ H108 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 102 133 } #!CB name="LJ C102 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 108 133 } #!CB name="LJ H108 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 102 136 } #!CB name="LJ C102 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 108 136 } #!CB name="LJ H108 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 102 215 } #!CB name="LJ C102 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 108 215 } #!CB name="LJ H108 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 102 218 } #!CB name="LJ C102 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 108 218 } #!CB name="LJ H108 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 102 221 } #!CB name="LJ C102 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 108 221 } #!CB name="LJ H108 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 102 224 } #!CB name="LJ C102 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 108 224 } #!CB name="LJ H108 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 102 227 } #!CB name="LJ C102 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 108 227 } #!CB name="LJ H108 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 102 230 } #!CB name="LJ C102 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 108 230 } #!CB name="LJ H108 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 102 233 } #!CB name="LJ C102 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 108 233 } #!CB name="LJ H108 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 102 236 } #!CB name="LJ C102 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 108 236 } #!CB name="LJ H108 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 102 315 } #!CB name="LJ C102 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 108 315 } #!CB name="LJ H108 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 102 318 } #!CB name="LJ C102 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 108 318 } #!CB name="LJ H108 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 102 321 } #!CB name="LJ C102 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 108 321 } #!CB name="LJ H108 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 102 324 } #!CB name="LJ C102 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 108 324 } #!CB name="LJ H108 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 102 327 } #!CB name="LJ C102 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 108 327 } #!CB name="LJ H108 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 102 330 } #!CB name="LJ C102 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 108 330 } #!CB name="LJ H108 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 102 333 } #!CB name="LJ C102 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 108 333 } #!CB name="LJ H108 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 102 336 } #!CB name="LJ C102 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 108 336 } #!CB name="LJ H108 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 102 415 } #!CB name="LJ C102 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 108 415 } #!CB name="LJ H108 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 102 418 } #!CB name="LJ C102 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 108 418 } #!CB name="LJ H108 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 102 421 } #!CB name="LJ C102 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 108 421 } #!CB name="LJ H108 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 102 424 } #!CB name="LJ C102 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 108 424 } #!CB name="LJ H108 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 102 427 } #!CB name="LJ C102 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 108 427 } #!CB name="LJ H108 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 102 430 } #!CB name="LJ C102 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 108 430 } #!CB name="LJ H108 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 102 433 } #!CB name="LJ C102 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 108 433 } #!CB name="LJ H108 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 102 436 } #!CB name="LJ C102 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 108 436 } #!CB name="LJ H108 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 102 515 } #!CB name="LJ C102 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 108 515 } #!CB name="LJ H108 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 102 518 } #!CB name="LJ C102 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 108 518 } #!CB name="LJ H108 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 102 521 } #!CB name="LJ C102 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 108 521 } #!CB name="LJ H108 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 102 524 } #!CB name="LJ C102 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 108 524 } #!CB name="LJ H108 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 102 527 } #!CB name="LJ C102 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 108 527 } #!CB name="LJ H108 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 102 530 } #!CB name="LJ C102 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 108 530 } #!CB name="LJ H108 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 102 533 } #!CB name="LJ C102 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 108 533 } #!CB name="LJ H108 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 102 536 } #!CB name="LJ C102 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 108 536 } #!CB name="LJ H108 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 102 615 } #!CB name="LJ C102 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 108 615 } #!CB name="LJ H108 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 102 618 } #!CB name="LJ C102 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 108 618 } #!CB name="LJ H108 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 102 621 } #!CB name="LJ C102 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 108 621 } #!CB name="LJ H108 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 102 624 } #!CB name="LJ C102 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 108 624 } #!CB name="LJ H108 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 102 627 } #!CB name="LJ C102 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 108 627 } #!CB name="LJ H108 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 102 630 } #!CB name="LJ C102 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 108 630 } #!CB name="LJ H108 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 102 633 } #!CB name="LJ C102 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 108 633 } #!CB name="LJ H108 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 102 636 } #!CB name="LJ C102 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 108 636 } #!CB name="LJ H108 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 102 715 } #!CB name="LJ C102 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 108 715 } #!CB name="LJ H108 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 102 718 } #!CB name="LJ C102 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 108 718 } #!CB name="LJ H108 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 102 721 } #!CB name="LJ C102 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 108 721 } #!CB name="LJ H108 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 102 724 } #!CB name="LJ C102 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 108 724 } #!CB name="LJ H108 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 102 727 } #!CB name="LJ C102 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 108 727 } #!CB name="LJ H108 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 102 730 } #!CB name="LJ C102 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 108 730 } #!CB name="LJ H108 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 102 733 } #!CB name="LJ C102 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 108 733 } #!CB name="LJ H108 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 102 736 } #!CB name="LJ C102 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 108 736 } #!CB name="LJ H108 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 103 15 } #!CB name="LJ C103 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 109 15 } #!CB name="LJ H109 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 103 18 } #!CB name="LJ C103 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 109 18 } #!CB name="LJ H109 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 103 21 } #!CB name="LJ C103 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 109 21 } #!CB name="LJ H109 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 103 24 } #!CB name="LJ C103 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 109 24 } #!CB name="LJ H109 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 103 27 } #!CB name="LJ C103 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 109 27 } #!CB name="LJ H109 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 103 30 } #!CB name="LJ C103 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 109 30 } #!CB name="LJ H109 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 103 33 } #!CB name="LJ C103 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 109 33 } #!CB name="LJ H109 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 103 36 } #!CB name="LJ C103 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 109 36 } #!CB name="LJ H109 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 103 115 } #!CB name="LJ C103 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 109 115 } #!CB name="LJ H109 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 103 118 } #!CB name="LJ C103 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 109 118 } #!CB name="LJ H109 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 103 121 } #!CB name="LJ C103 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 109 121 } #!CB name="LJ H109 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 103 124 } #!CB name="LJ C103 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 109 124 } #!CB name="LJ H109 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 103 127 } #!CB name="LJ C103 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 109 127 } #!CB name="LJ H109 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 103 130 } #!CB name="LJ C103 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 109 130 } #!CB name="LJ H109 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 103 133 } #!CB name="LJ C103 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 109 133 } #!CB name="LJ H109 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 103 136 } #!CB name="LJ C103 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 109 136 } #!CB name="LJ H109 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 103 215 } #!CB name="LJ C103 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 109 215 } #!CB name="LJ H109 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 103 218 } #!CB name="LJ C103 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 109 218 } #!CB name="LJ H109 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 103 221 } #!CB name="LJ C103 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 109 221 } #!CB name="LJ H109 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 103 224 } #!CB name="LJ C103 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 109 224 } #!CB name="LJ H109 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 103 227 } #!CB name="LJ C103 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 109 227 } #!CB name="LJ H109 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 103 230 } #!CB name="LJ C103 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 109 230 } #!CB name="LJ H109 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 103 233 } #!CB name="LJ C103 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 109 233 } #!CB name="LJ H109 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 103 236 } #!CB name="LJ C103 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 109 236 } #!CB name="LJ H109 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 103 315 } #!CB name="LJ C103 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 109 315 } #!CB name="LJ H109 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 103 318 } #!CB name="LJ C103 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 109 318 } #!CB name="LJ H109 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 103 321 } #!CB name="LJ C103 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 109 321 } #!CB name="LJ H109 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 103 324 } #!CB name="LJ C103 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 109 324 } #!CB name="LJ H109 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 103 327 } #!CB name="LJ C103 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 109 327 } #!CB name="LJ H109 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 103 330 } #!CB name="LJ C103 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 109 330 } #!CB name="LJ H109 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 103 333 } #!CB name="LJ C103 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 109 333 } #!CB name="LJ H109 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 103 336 } #!CB name="LJ C103 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 109 336 } #!CB name="LJ H109 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 103 415 } #!CB name="LJ C103 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 109 415 } #!CB name="LJ H109 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 103 418 } #!CB name="LJ C103 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 109 418 } #!CB name="LJ H109 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 103 421 } #!CB name="LJ C103 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 109 421 } #!CB name="LJ H109 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 103 424 } #!CB name="LJ C103 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 109 424 } #!CB name="LJ H109 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 103 427 } #!CB name="LJ C103 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 109 427 } #!CB name="LJ H109 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 103 430 } #!CB name="LJ C103 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 109 430 } #!CB name="LJ H109 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 103 433 } #!CB name="LJ C103 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 109 433 } #!CB name="LJ H109 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 103 436 } #!CB name="LJ C103 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 109 436 } #!CB name="LJ H109 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 103 515 } #!CB name="LJ C103 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 109 515 } #!CB name="LJ H109 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 103 518 } #!CB name="LJ C103 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 109 518 } #!CB name="LJ H109 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 103 521 } #!CB name="LJ C103 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 109 521 } #!CB name="LJ H109 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 103 524 } #!CB name="LJ C103 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 109 524 } #!CB name="LJ H109 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 103 527 } #!CB name="LJ C103 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 109 527 } #!CB name="LJ H109 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 103 530 } #!CB name="LJ C103 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 109 530 } #!CB name="LJ H109 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 103 533 } #!CB name="LJ C103 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 109 533 } #!CB name="LJ H109 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 103 536 } #!CB name="LJ C103 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 109 536 } #!CB name="LJ H109 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 103 615 } #!CB name="LJ C103 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 109 615 } #!CB name="LJ H109 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 103 618 } #!CB name="LJ C103 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 109 618 } #!CB name="LJ H109 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 103 621 } #!CB name="LJ C103 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 109 621 } #!CB name="LJ H109 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 103 624 } #!CB name="LJ C103 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 109 624 } #!CB name="LJ H109 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 103 627 } #!CB name="LJ C103 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 109 627 } #!CB name="LJ H109 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 103 630 } #!CB name="LJ C103 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 109 630 } #!CB name="LJ H109 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 103 633 } #!CB name="LJ C103 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 109 633 } #!CB name="LJ H109 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 103 636 } #!CB name="LJ C103 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 109 636 } #!CB name="LJ H109 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 103 715 } #!CB name="LJ C103 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 109 715 } #!CB name="LJ H109 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 103 718 } #!CB name="LJ C103 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 109 718 } #!CB name="LJ H109 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 103 721 } #!CB name="LJ C103 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 109 721 } #!CB name="LJ H109 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 103 724 } #!CB name="LJ C103 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 109 724 } #!CB name="LJ H109 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 103 727 } #!CB name="LJ C103 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 109 727 } #!CB name="LJ H109 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 103 730 } #!CB name="LJ C103 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 109 730 } #!CB name="LJ H109 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 103 733 } #!CB name="LJ C103 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 109 733 } #!CB name="LJ H109 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 103 736 } #!CB name="LJ C103 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 109 736 } #!CB name="LJ H109 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 104 15 } #!CB name="LJ C104 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 110 15 } #!CB name="LJ H110 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 104 18 } #!CB name="LJ C104 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 110 18 } #!CB name="LJ H110 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 104 21 } #!CB name="LJ C104 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 110 21 } #!CB name="LJ H110 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 104 24 } #!CB name="LJ C104 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 110 24 } #!CB name="LJ H110 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 104 27 } #!CB name="LJ C104 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 110 27 } #!CB name="LJ H110 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 104 30 } #!CB name="LJ C104 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 110 30 } #!CB name="LJ H110 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 104 33 } #!CB name="LJ C104 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 110 33 } #!CB name="LJ H110 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 104 36 } #!CB name="LJ C104 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 110 36 } #!CB name="LJ H110 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 104 115 } #!CB name="LJ C104 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 110 115 } #!CB name="LJ H110 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 104 118 } #!CB name="LJ C104 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 110 118 } #!CB name="LJ H110 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 104 121 } #!CB name="LJ C104 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 110 121 } #!CB name="LJ H110 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 104 124 } #!CB name="LJ C104 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 110 124 } #!CB name="LJ H110 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 104 127 } #!CB name="LJ C104 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 110 127 } #!CB name="LJ H110 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 104 130 } #!CB name="LJ C104 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 110 130 } #!CB name="LJ H110 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 104 133 } #!CB name="LJ C104 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 110 133 } #!CB name="LJ H110 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 104 136 } #!CB name="LJ C104 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 110 136 } #!CB name="LJ H110 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 104 215 } #!CB name="LJ C104 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 110 215 } #!CB name="LJ H110 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 104 218 } #!CB name="LJ C104 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 110 218 } #!CB name="LJ H110 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 104 221 } #!CB name="LJ C104 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 110 221 } #!CB name="LJ H110 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 104 224 } #!CB name="LJ C104 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 110 224 } #!CB name="LJ H110 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 104 227 } #!CB name="LJ C104 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 110 227 } #!CB name="LJ H110 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 104 230 } #!CB name="LJ C104 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 110 230 } #!CB name="LJ H110 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 104 233 } #!CB name="LJ C104 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 110 233 } #!CB name="LJ H110 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 104 236 } #!CB name="LJ C104 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 110 236 } #!CB name="LJ H110 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 104 315 } #!CB name="LJ C104 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 110 315 } #!CB name="LJ H110 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 104 318 } #!CB name="LJ C104 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 110 318 } #!CB name="LJ H110 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 104 321 } #!CB name="LJ C104 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 110 321 } #!CB name="LJ H110 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 104 324 } #!CB name="LJ C104 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 110 324 } #!CB name="LJ H110 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 104 327 } #!CB name="LJ C104 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 110 327 } #!CB name="LJ H110 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 104 330 } #!CB name="LJ C104 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 110 330 } #!CB name="LJ H110 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 104 333 } #!CB name="LJ C104 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 110 333 } #!CB name="LJ H110 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 104 336 } #!CB name="LJ C104 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 110 336 } #!CB name="LJ H110 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 104 415 } #!CB name="LJ C104 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 110 415 } #!CB name="LJ H110 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 104 418 } #!CB name="LJ C104 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 110 418 } #!CB name="LJ H110 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 104 421 } #!CB name="LJ C104 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 110 421 } #!CB name="LJ H110 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 104 424 } #!CB name="LJ C104 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 110 424 } #!CB name="LJ H110 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 104 427 } #!CB name="LJ C104 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 110 427 } #!CB name="LJ H110 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 104 430 } #!CB name="LJ C104 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 110 430 } #!CB name="LJ H110 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 104 433 } #!CB name="LJ C104 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 110 433 } #!CB name="LJ H110 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 104 436 } #!CB name="LJ C104 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 110 436 } #!CB name="LJ H110 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 104 515 } #!CB name="LJ C104 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 110 515 } #!CB name="LJ H110 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 104 518 } #!CB name="LJ C104 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 110 518 } #!CB name="LJ H110 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 104 521 } #!CB name="LJ C104 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 110 521 } #!CB name="LJ H110 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 104 524 } #!CB name="LJ C104 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 110 524 } #!CB name="LJ H110 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 104 527 } #!CB name="LJ C104 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 110 527 } #!CB name="LJ H110 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 104 530 } #!CB name="LJ C104 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 110 530 } #!CB name="LJ H110 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 104 533 } #!CB name="LJ C104 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 110 533 } #!CB name="LJ H110 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 104 536 } #!CB name="LJ C104 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 110 536 } #!CB name="LJ H110 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 104 615 } #!CB name="LJ C104 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 110 615 } #!CB name="LJ H110 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 104 618 } #!CB name="LJ C104 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 110 618 } #!CB name="LJ H110 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 104 621 } #!CB name="LJ C104 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 110 621 } #!CB name="LJ H110 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 104 624 } #!CB name="LJ C104 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 110 624 } #!CB name="LJ H110 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 104 627 } #!CB name="LJ C104 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 110 627 } #!CB name="LJ H110 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 104 630 } #!CB name="LJ C104 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 110 630 } #!CB name="LJ H110 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 104 633 } #!CB name="LJ C104 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 110 633 } #!CB name="LJ H110 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 104 636 } #!CB name="LJ C104 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 110 636 } #!CB name="LJ H110 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 104 715 } #!CB name="LJ C104 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 110 715 } #!CB name="LJ H110 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 104 718 } #!CB name="LJ C104 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 110 718 } #!CB name="LJ H110 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 104 721 } #!CB name="LJ C104 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 110 721 } #!CB name="LJ H110 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 104 724 } #!CB name="LJ C104 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 110 724 } #!CB name="LJ H110 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 104 727 } #!CB name="LJ C104 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 110 727 } #!CB name="LJ H110 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 104 730 } #!CB name="LJ C104 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 110 730 } #!CB name="LJ H110 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 104 733 } #!CB name="LJ C104 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 110 733 } #!CB name="LJ H110 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 104 736 } #!CB name="LJ C104 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 110 736 } #!CB name="LJ H110 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 105 15 } #!CB name="LJ C105 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 111 15 } #!CB name="LJ H111 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 105 18 } #!CB name="LJ C105 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 111 18 } #!CB name="LJ H111 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 105 21 } #!CB name="LJ C105 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 111 21 } #!CB name="LJ H111 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 105 24 } #!CB name="LJ C105 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 111 24 } #!CB name="LJ H111 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 105 27 } #!CB name="LJ C105 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 111 27 } #!CB name="LJ H111 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 105 30 } #!CB name="LJ C105 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 111 30 } #!CB name="LJ H111 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 105 33 } #!CB name="LJ C105 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 111 33 } #!CB name="LJ H111 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 105 36 } #!CB name="LJ C105 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 111 36 } #!CB name="LJ H111 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 105 115 } #!CB name="LJ C105 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 111 115 } #!CB name="LJ H111 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 105 118 } #!CB name="LJ C105 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 111 118 } #!CB name="LJ H111 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 105 121 } #!CB name="LJ C105 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 111 121 } #!CB name="LJ H111 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 105 124 } #!CB name="LJ C105 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 111 124 } #!CB name="LJ H111 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 105 127 } #!CB name="LJ C105 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 111 127 } #!CB name="LJ H111 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 105 130 } #!CB name="LJ C105 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 111 130 } #!CB name="LJ H111 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 105 133 } #!CB name="LJ C105 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 111 133 } #!CB name="LJ H111 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 105 136 } #!CB name="LJ C105 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 111 136 } #!CB name="LJ H111 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 105 215 } #!CB name="LJ C105 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 111 215 } #!CB name="LJ H111 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 105 218 } #!CB name="LJ C105 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 111 218 } #!CB name="LJ H111 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 105 221 } #!CB name="LJ C105 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 111 221 } #!CB name="LJ H111 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 105 224 } #!CB name="LJ C105 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 111 224 } #!CB name="LJ H111 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 105 227 } #!CB name="LJ C105 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 111 227 } #!CB name="LJ H111 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 105 230 } #!CB name="LJ C105 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 111 230 } #!CB name="LJ H111 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 105 233 } #!CB name="LJ C105 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 111 233 } #!CB name="LJ H111 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 105 236 } #!CB name="LJ C105 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 111 236 } #!CB name="LJ H111 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 105 315 } #!CB name="LJ C105 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 111 315 } #!CB name="LJ H111 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 105 318 } #!CB name="LJ C105 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 111 318 } #!CB name="LJ H111 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 105 321 } #!CB name="LJ C105 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 111 321 } #!CB name="LJ H111 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 105 324 } #!CB name="LJ C105 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 111 324 } #!CB name="LJ H111 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 105 327 } #!CB name="LJ C105 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 111 327 } #!CB name="LJ H111 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 105 330 } #!CB name="LJ C105 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 111 330 } #!CB name="LJ H111 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 105 333 } #!CB name="LJ C105 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 111 333 } #!CB name="LJ H111 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 105 336 } #!CB name="LJ C105 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 111 336 } #!CB name="LJ H111 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 105 415 } #!CB name="LJ C105 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 111 415 } #!CB name="LJ H111 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 105 418 } #!CB name="LJ C105 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 111 418 } #!CB name="LJ H111 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 105 421 } #!CB name="LJ C105 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 111 421 } #!CB name="LJ H111 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 105 424 } #!CB name="LJ C105 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 111 424 } #!CB name="LJ H111 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 105 427 } #!CB name="LJ C105 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 111 427 } #!CB name="LJ H111 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 105 430 } #!CB name="LJ C105 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 111 430 } #!CB name="LJ H111 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 105 433 } #!CB name="LJ C105 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 111 433 } #!CB name="LJ H111 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 105 436 } #!CB name="LJ C105 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 111 436 } #!CB name="LJ H111 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 105 515 } #!CB name="LJ C105 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 111 515 } #!CB name="LJ H111 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 105 518 } #!CB name="LJ C105 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 111 518 } #!CB name="LJ H111 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 105 521 } #!CB name="LJ C105 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 111 521 } #!CB name="LJ H111 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 105 524 } #!CB name="LJ C105 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 111 524 } #!CB name="LJ H111 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 105 527 } #!CB name="LJ C105 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 111 527 } #!CB name="LJ H111 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 105 530 } #!CB name="LJ C105 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 111 530 } #!CB name="LJ H111 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 105 533 } #!CB name="LJ C105 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 111 533 } #!CB name="LJ H111 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 105 536 } #!CB name="LJ C105 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 111 536 } #!CB name="LJ H111 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 105 615 } #!CB name="LJ C105 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 111 615 } #!CB name="LJ H111 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 105 618 } #!CB name="LJ C105 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 111 618 } #!CB name="LJ H111 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 105 621 } #!CB name="LJ C105 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 111 621 } #!CB name="LJ H111 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 105 624 } #!CB name="LJ C105 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 111 624 } #!CB name="LJ H111 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 105 627 } #!CB name="LJ C105 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 111 627 } #!CB name="LJ H111 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 105 630 } #!CB name="LJ C105 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 111 630 } #!CB name="LJ H111 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 105 633 } #!CB name="LJ C105 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 111 633 } #!CB name="LJ H111 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 105 636 } #!CB name="LJ C105 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 111 636 } #!CB name="LJ H111 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 105 715 } #!CB name="LJ C105 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 111 715 } #!CB name="LJ H111 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 105 718 } #!CB name="LJ C105 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 111 718 } #!CB name="LJ H111 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 105 721 } #!CB name="LJ C105 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 111 721 } #!CB name="LJ H111 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 105 724 } #!CB name="LJ C105 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 111 724 } #!CB name="LJ H111 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 105 727 } #!CB name="LJ C105 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 111 727 } #!CB name="LJ H111 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 105 730 } #!CB name="LJ C105 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 111 730 } #!CB name="LJ H111 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 105 733 } #!CB name="LJ C105 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 111 733 } #!CB name="LJ H111 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 105 736 } #!CB name="LJ C105 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 111 736 } #!CB name="LJ H111 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 200 15 } #!CB name="LJ C200 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 206 15 } #!CB name="LJ H206 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 200 18 } #!CB name="LJ C200 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 206 18 } #!CB name="LJ H206 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 200 21 } #!CB name="LJ C200 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 206 21 } #!CB name="LJ H206 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 200 24 } #!CB name="LJ C200 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 206 24 } #!CB name="LJ H206 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 200 27 } #!CB name="LJ C200 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 206 27 } #!CB name="LJ H206 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 200 30 } #!CB name="LJ C200 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 206 30 } #!CB name="LJ H206 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 200 33 } #!CB name="LJ C200 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 206 33 } #!CB name="LJ H206 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 200 36 } #!CB name="LJ C200 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 206 36 } #!CB name="LJ H206 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 200 115 } #!CB name="LJ C200 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 206 115 } #!CB name="LJ H206 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 200 118 } #!CB name="LJ C200 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 206 118 } #!CB name="LJ H206 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 200 121 } #!CB name="LJ C200 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 206 121 } #!CB name="LJ H206 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 200 124 } #!CB name="LJ C200 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 206 124 } #!CB name="LJ H206 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 200 127 } #!CB name="LJ C200 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 206 127 } #!CB name="LJ H206 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 200 130 } #!CB name="LJ C200 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 206 130 } #!CB name="LJ H206 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 200 133 } #!CB name="LJ C200 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 206 133 } #!CB name="LJ H206 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 200 136 } #!CB name="LJ C200 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 206 136 } #!CB name="LJ H206 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 200 215 } #!CB name="LJ C200 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 206 215 } #!CB name="LJ H206 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 200 218 } #!CB name="LJ C200 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 206 218 } #!CB name="LJ H206 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 200 221 } #!CB name="LJ C200 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 206 221 } #!CB name="LJ H206 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 200 224 } #!CB name="LJ C200 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 206 224 } #!CB name="LJ H206 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 200 227 } #!CB name="LJ C200 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 206 227 } #!CB name="LJ H206 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 200 230 } #!CB name="LJ C200 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 206 230 } #!CB name="LJ H206 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 200 233 } #!CB name="LJ C200 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 206 233 } #!CB name="LJ H206 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 200 236 } #!CB name="LJ C200 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 206 236 } #!CB name="LJ H206 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 200 315 } #!CB name="LJ C200 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 206 315 } #!CB name="LJ H206 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 200 318 } #!CB name="LJ C200 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 206 318 } #!CB name="LJ H206 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 200 321 } #!CB name="LJ C200 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 206 321 } #!CB name="LJ H206 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 200 324 } #!CB name="LJ C200 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 206 324 } #!CB name="LJ H206 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 200 327 } #!CB name="LJ C200 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 206 327 } #!CB name="LJ H206 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 200 330 } #!CB name="LJ C200 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 206 330 } #!CB name="LJ H206 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 200 333 } #!CB name="LJ C200 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 206 333 } #!CB name="LJ H206 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 200 336 } #!CB name="LJ C200 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 206 336 } #!CB name="LJ H206 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 200 415 } #!CB name="LJ C200 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 206 415 } #!CB name="LJ H206 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 200 418 } #!CB name="LJ C200 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 206 418 } #!CB name="LJ H206 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 200 421 } #!CB name="LJ C200 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 206 421 } #!CB name="LJ H206 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 200 424 } #!CB name="LJ C200 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 206 424 } #!CB name="LJ H206 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 200 427 } #!CB name="LJ C200 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 206 427 } #!CB name="LJ H206 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 200 430 } #!CB name="LJ C200 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 206 430 } #!CB name="LJ H206 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 200 433 } #!CB name="LJ C200 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 206 433 } #!CB name="LJ H206 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 200 436 } #!CB name="LJ C200 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 206 436 } #!CB name="LJ H206 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 200 515 } #!CB name="LJ C200 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 206 515 } #!CB name="LJ H206 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 200 518 } #!CB name="LJ C200 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 206 518 } #!CB name="LJ H206 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 200 521 } #!CB name="LJ C200 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 206 521 } #!CB name="LJ H206 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 200 524 } #!CB name="LJ C200 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 206 524 } #!CB name="LJ H206 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 200 527 } #!CB name="LJ C200 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 206 527 } #!CB name="LJ H206 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 200 530 } #!CB name="LJ C200 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 206 530 } #!CB name="LJ H206 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 200 533 } #!CB name="LJ C200 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 206 533 } #!CB name="LJ H206 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 200 536 } #!CB name="LJ C200 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 206 536 } #!CB name="LJ H206 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 200 615 } #!CB name="LJ C200 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 206 615 } #!CB name="LJ H206 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 200 618 } #!CB name="LJ C200 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 206 618 } #!CB name="LJ H206 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 200 621 } #!CB name="LJ C200 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 206 621 } #!CB name="LJ H206 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 200 624 } #!CB name="LJ C200 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 206 624 } #!CB name="LJ H206 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 200 627 } #!CB name="LJ C200 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 206 627 } #!CB name="LJ H206 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 200 630 } #!CB name="LJ C200 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 206 630 } #!CB name="LJ H206 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 200 633 } #!CB name="LJ C200 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 206 633 } #!CB name="LJ H206 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 200 636 } #!CB name="LJ C200 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 206 636 } #!CB name="LJ H206 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 200 715 } #!CB name="LJ C200 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 206 715 } #!CB name="LJ H206 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 200 718 } #!CB name="LJ C200 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 206 718 } #!CB name="LJ H206 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 200 721 } #!CB name="LJ C200 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 206 721 } #!CB name="LJ H206 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 200 724 } #!CB name="LJ C200 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 206 724 } #!CB name="LJ H206 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 200 727 } #!CB name="LJ C200 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 206 727 } #!CB name="LJ H206 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 200 730 } #!CB name="LJ C200 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 206 730 } #!CB name="LJ H206 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 200 733 } #!CB name="LJ C200 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 206 733 } #!CB name="LJ H206 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 200 736 } #!CB name="LJ C200 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 206 736 } #!CB name="LJ H206 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 201 15 } #!CB name="LJ C201 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 207 15 } #!CB name="LJ H207 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 201 18 } #!CB name="LJ C201 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 207 18 } #!CB name="LJ H207 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 201 21 } #!CB name="LJ C201 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 207 21 } #!CB name="LJ H207 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 201 24 } #!CB name="LJ C201 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 207 24 } #!CB name="LJ H207 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 201 27 } #!CB name="LJ C201 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 207 27 } #!CB name="LJ H207 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 201 30 } #!CB name="LJ C201 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 207 30 } #!CB name="LJ H207 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 201 33 } #!CB name="LJ C201 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 207 33 } #!CB name="LJ H207 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 201 36 } #!CB name="LJ C201 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 207 36 } #!CB name="LJ H207 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 201 115 } #!CB name="LJ C201 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 207 115 } #!CB name="LJ H207 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 201 118 } #!CB name="LJ C201 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 207 118 } #!CB name="LJ H207 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 201 121 } #!CB name="LJ C201 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 207 121 } #!CB name="LJ H207 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 201 124 } #!CB name="LJ C201 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 207 124 } #!CB name="LJ H207 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 201 127 } #!CB name="LJ C201 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 207 127 } #!CB name="LJ H207 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 201 130 } #!CB name="LJ C201 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 207 130 } #!CB name="LJ H207 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 201 133 } #!CB name="LJ C201 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 207 133 } #!CB name="LJ H207 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 201 136 } #!CB name="LJ C201 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 207 136 } #!CB name="LJ H207 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 201 215 } #!CB name="LJ C201 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 207 215 } #!CB name="LJ H207 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 201 218 } #!CB name="LJ C201 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 207 218 } #!CB name="LJ H207 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 201 221 } #!CB name="LJ C201 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 207 221 } #!CB name="LJ H207 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 201 224 } #!CB name="LJ C201 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 207 224 } #!CB name="LJ H207 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 201 227 } #!CB name="LJ C201 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 207 227 } #!CB name="LJ H207 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 201 230 } #!CB name="LJ C201 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 207 230 } #!CB name="LJ H207 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 201 233 } #!CB name="LJ C201 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 207 233 } #!CB name="LJ H207 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 201 236 } #!CB name="LJ C201 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 207 236 } #!CB name="LJ H207 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 201 315 } #!CB name="LJ C201 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 207 315 } #!CB name="LJ H207 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 201 318 } #!CB name="LJ C201 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 207 318 } #!CB name="LJ H207 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 201 321 } #!CB name="LJ C201 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 207 321 } #!CB name="LJ H207 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 201 324 } #!CB name="LJ C201 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 207 324 } #!CB name="LJ H207 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 201 327 } #!CB name="LJ C201 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 207 327 } #!CB name="LJ H207 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 201 330 } #!CB name="LJ C201 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 207 330 } #!CB name="LJ H207 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 201 333 } #!CB name="LJ C201 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 207 333 } #!CB name="LJ H207 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 201 336 } #!CB name="LJ C201 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 207 336 } #!CB name="LJ H207 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 201 415 } #!CB name="LJ C201 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 207 415 } #!CB name="LJ H207 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 201 418 } #!CB name="LJ C201 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 207 418 } #!CB name="LJ H207 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 201 421 } #!CB name="LJ C201 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 207 421 } #!CB name="LJ H207 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 201 424 } #!CB name="LJ C201 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 207 424 } #!CB name="LJ H207 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 201 427 } #!CB name="LJ C201 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 207 427 } #!CB name="LJ H207 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 201 430 } #!CB name="LJ C201 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 207 430 } #!CB name="LJ H207 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 201 433 } #!CB name="LJ C201 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 207 433 } #!CB name="LJ H207 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 201 436 } #!CB name="LJ C201 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 207 436 } #!CB name="LJ H207 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 201 515 } #!CB name="LJ C201 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 207 515 } #!CB name="LJ H207 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 201 518 } #!CB name="LJ C201 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 207 518 } #!CB name="LJ H207 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 201 521 } #!CB name="LJ C201 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 207 521 } #!CB name="LJ H207 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 201 524 } #!CB name="LJ C201 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 207 524 } #!CB name="LJ H207 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 201 527 } #!CB name="LJ C201 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 207 527 } #!CB name="LJ H207 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 201 530 } #!CB name="LJ C201 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 207 530 } #!CB name="LJ H207 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 201 533 } #!CB name="LJ C201 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 207 533 } #!CB name="LJ H207 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 201 536 } #!CB name="LJ C201 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 207 536 } #!CB name="LJ H207 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 201 615 } #!CB name="LJ C201 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 207 615 } #!CB name="LJ H207 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 201 618 } #!CB name="LJ C201 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 207 618 } #!CB name="LJ H207 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 201 621 } #!CB name="LJ C201 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 207 621 } #!CB name="LJ H207 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 201 624 } #!CB name="LJ C201 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 207 624 } #!CB name="LJ H207 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 201 627 } #!CB name="LJ C201 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 207 627 } #!CB name="LJ H207 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 201 630 } #!CB name="LJ C201 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 207 630 } #!CB name="LJ H207 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 201 633 } #!CB name="LJ C201 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 207 633 } #!CB name="LJ H207 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 201 636 } #!CB name="LJ C201 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 207 636 } #!CB name="LJ H207 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 201 715 } #!CB name="LJ C201 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 207 715 } #!CB name="LJ H207 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 201 718 } #!CB name="LJ C201 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 207 718 } #!CB name="LJ H207 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 201 721 } #!CB name="LJ C201 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 207 721 } #!CB name="LJ H207 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 201 724 } #!CB name="LJ C201 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 207 724 } #!CB name="LJ H207 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 201 727 } #!CB name="LJ C201 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 207 727 } #!CB name="LJ H207 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 201 730 } #!CB name="LJ C201 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 207 730 } #!CB name="LJ H207 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 201 733 } #!CB name="LJ C201 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 207 733 } #!CB name="LJ H207 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 201 736 } #!CB name="LJ C201 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 207 736 } #!CB name="LJ H207 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 202 15 } #!CB name="LJ C202 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 208 15 } #!CB name="LJ H208 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 202 18 } #!CB name="LJ C202 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 208 18 } #!CB name="LJ H208 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 202 21 } #!CB name="LJ C202 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 208 21 } #!CB name="LJ H208 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 202 24 } #!CB name="LJ C202 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 208 24 } #!CB name="LJ H208 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 202 27 } #!CB name="LJ C202 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 208 27 } #!CB name="LJ H208 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 202 30 } #!CB name="LJ C202 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 208 30 } #!CB name="LJ H208 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 202 33 } #!CB name="LJ C202 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 208 33 } #!CB name="LJ H208 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 202 36 } #!CB name="LJ C202 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 208 36 } #!CB name="LJ H208 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 202 115 } #!CB name="LJ C202 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 208 115 } #!CB name="LJ H208 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 202 118 } #!CB name="LJ C202 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 208 118 } #!CB name="LJ H208 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 202 121 } #!CB name="LJ C202 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 208 121 } #!CB name="LJ H208 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 202 124 } #!CB name="LJ C202 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 208 124 } #!CB name="LJ H208 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 202 127 } #!CB name="LJ C202 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 208 127 } #!CB name="LJ H208 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 202 130 } #!CB name="LJ C202 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 208 130 } #!CB name="LJ H208 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 202 133 } #!CB name="LJ C202 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 208 133 } #!CB name="LJ H208 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 202 136 } #!CB name="LJ C202 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 208 136 } #!CB name="LJ H208 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 202 215 } #!CB name="LJ C202 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 208 215 } #!CB name="LJ H208 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 202 218 } #!CB name="LJ C202 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 208 218 } #!CB name="LJ H208 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 202 221 } #!CB name="LJ C202 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 208 221 } #!CB name="LJ H208 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 202 224 } #!CB name="LJ C202 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 208 224 } #!CB name="LJ H208 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 202 227 } #!CB name="LJ C202 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 208 227 } #!CB name="LJ H208 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 202 230 } #!CB name="LJ C202 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 208 230 } #!CB name="LJ H208 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 202 233 } #!CB name="LJ C202 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 208 233 } #!CB name="LJ H208 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 202 236 } #!CB name="LJ C202 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 208 236 } #!CB name="LJ H208 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 202 315 } #!CB name="LJ C202 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 208 315 } #!CB name="LJ H208 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 202 318 } #!CB name="LJ C202 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 208 318 } #!CB name="LJ H208 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 202 321 } #!CB name="LJ C202 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 208 321 } #!CB name="LJ H208 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 202 324 } #!CB name="LJ C202 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 208 324 } #!CB name="LJ H208 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 202 327 } #!CB name="LJ C202 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 208 327 } #!CB name="LJ H208 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 202 330 } #!CB name="LJ C202 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 208 330 } #!CB name="LJ H208 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 202 333 } #!CB name="LJ C202 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 208 333 } #!CB name="LJ H208 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 202 336 } #!CB name="LJ C202 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 208 336 } #!CB name="LJ H208 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 202 415 } #!CB name="LJ C202 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 208 415 } #!CB name="LJ H208 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 202 418 } #!CB name="LJ C202 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 208 418 } #!CB name="LJ H208 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 202 421 } #!CB name="LJ C202 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 208 421 } #!CB name="LJ H208 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 202 424 } #!CB name="LJ C202 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 208 424 } #!CB name="LJ H208 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 202 427 } #!CB name="LJ C202 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 208 427 } #!CB name="LJ H208 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 202 430 } #!CB name="LJ C202 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 208 430 } #!CB name="LJ H208 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 202 433 } #!CB name="LJ C202 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 208 433 } #!CB name="LJ H208 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 202 436 } #!CB name="LJ C202 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 208 436 } #!CB name="LJ H208 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 202 515 } #!CB name="LJ C202 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 208 515 } #!CB name="LJ H208 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 202 518 } #!CB name="LJ C202 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 208 518 } #!CB name="LJ H208 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 202 521 } #!CB name="LJ C202 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 208 521 } #!CB name="LJ H208 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 202 524 } #!CB name="LJ C202 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 208 524 } #!CB name="LJ H208 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 202 527 } #!CB name="LJ C202 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 208 527 } #!CB name="LJ H208 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 202 530 } #!CB name="LJ C202 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 208 530 } #!CB name="LJ H208 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 202 533 } #!CB name="LJ C202 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 208 533 } #!CB name="LJ H208 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 202 536 } #!CB name="LJ C202 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 208 536 } #!CB name="LJ H208 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 202 615 } #!CB name="LJ C202 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 208 615 } #!CB name="LJ H208 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 202 618 } #!CB name="LJ C202 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 208 618 } #!CB name="LJ H208 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 202 621 } #!CB name="LJ C202 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 208 621 } #!CB name="LJ H208 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 202 624 } #!CB name="LJ C202 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 208 624 } #!CB name="LJ H208 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 202 627 } #!CB name="LJ C202 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 208 627 } #!CB name="LJ H208 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 202 630 } #!CB name="LJ C202 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 208 630 } #!CB name="LJ H208 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 202 633 } #!CB name="LJ C202 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 208 633 } #!CB name="LJ H208 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 202 636 } #!CB name="LJ C202 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 208 636 } #!CB name="LJ H208 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 202 715 } #!CB name="LJ C202 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 208 715 } #!CB name="LJ H208 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 202 718 } #!CB name="LJ C202 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 208 718 } #!CB name="LJ H208 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 202 721 } #!CB name="LJ C202 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 208 721 } #!CB name="LJ H208 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 202 724 } #!CB name="LJ C202 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 208 724 } #!CB name="LJ H208 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 202 727 } #!CB name="LJ C202 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 208 727 } #!CB name="LJ H208 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 202 730 } #!CB name="LJ C202 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 208 730 } #!CB name="LJ H208 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 202 733 } #!CB name="LJ C202 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 208 733 } #!CB name="LJ H208 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 202 736 } #!CB name="LJ C202 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 208 736 } #!CB name="LJ H208 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 203 15 } #!CB name="LJ C203 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 209 15 } #!CB name="LJ H209 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 203 18 } #!CB name="LJ C203 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 209 18 } #!CB name="LJ H209 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 203 21 } #!CB name="LJ C203 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 209 21 } #!CB name="LJ H209 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 203 24 } #!CB name="LJ C203 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 209 24 } #!CB name="LJ H209 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 203 27 } #!CB name="LJ C203 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 209 27 } #!CB name="LJ H209 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 203 30 } #!CB name="LJ C203 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 209 30 } #!CB name="LJ H209 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 203 33 } #!CB name="LJ C203 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 209 33 } #!CB name="LJ H209 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 203 36 } #!CB name="LJ C203 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 209 36 } #!CB name="LJ H209 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 203 115 } #!CB name="LJ C203 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 209 115 } #!CB name="LJ H209 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 203 118 } #!CB name="LJ C203 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 209 118 } #!CB name="LJ H209 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 203 121 } #!CB name="LJ C203 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 209 121 } #!CB name="LJ H209 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 203 124 } #!CB name="LJ C203 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 209 124 } #!CB name="LJ H209 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 203 127 } #!CB name="LJ C203 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 209 127 } #!CB name="LJ H209 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 203 130 } #!CB name="LJ C203 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 209 130 } #!CB name="LJ H209 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 203 133 } #!CB name="LJ C203 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 209 133 } #!CB name="LJ H209 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 203 136 } #!CB name="LJ C203 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 209 136 } #!CB name="LJ H209 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 203 215 } #!CB name="LJ C203 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 209 215 } #!CB name="LJ H209 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 203 218 } #!CB name="LJ C203 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 209 218 } #!CB name="LJ H209 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 203 221 } #!CB name="LJ C203 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 209 221 } #!CB name="LJ H209 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 203 224 } #!CB name="LJ C203 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 209 224 } #!CB name="LJ H209 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 203 227 } #!CB name="LJ C203 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 209 227 } #!CB name="LJ H209 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 203 230 } #!CB name="LJ C203 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 209 230 } #!CB name="LJ H209 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 203 233 } #!CB name="LJ C203 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 209 233 } #!CB name="LJ H209 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 203 236 } #!CB name="LJ C203 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 209 236 } #!CB name="LJ H209 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 203 315 } #!CB name="LJ C203 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 209 315 } #!CB name="LJ H209 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 203 318 } #!CB name="LJ C203 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 209 318 } #!CB name="LJ H209 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 203 321 } #!CB name="LJ C203 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 209 321 } #!CB name="LJ H209 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 203 324 } #!CB name="LJ C203 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 209 324 } #!CB name="LJ H209 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 203 327 } #!CB name="LJ C203 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 209 327 } #!CB name="LJ H209 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 203 330 } #!CB name="LJ C203 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 209 330 } #!CB name="LJ H209 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 203 333 } #!CB name="LJ C203 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 209 333 } #!CB name="LJ H209 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 203 336 } #!CB name="LJ C203 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 209 336 } #!CB name="LJ H209 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 203 415 } #!CB name="LJ C203 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 209 415 } #!CB name="LJ H209 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 203 418 } #!CB name="LJ C203 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 209 418 } #!CB name="LJ H209 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 203 421 } #!CB name="LJ C203 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 209 421 } #!CB name="LJ H209 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 203 424 } #!CB name="LJ C203 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 209 424 } #!CB name="LJ H209 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 203 427 } #!CB name="LJ C203 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 209 427 } #!CB name="LJ H209 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 203 430 } #!CB name="LJ C203 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 209 430 } #!CB name="LJ H209 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 203 433 } #!CB name="LJ C203 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 209 433 } #!CB name="LJ H209 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 203 436 } #!CB name="LJ C203 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 209 436 } #!CB name="LJ H209 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 203 515 } #!CB name="LJ C203 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 209 515 } #!CB name="LJ H209 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 203 518 } #!CB name="LJ C203 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 209 518 } #!CB name="LJ H209 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 203 521 } #!CB name="LJ C203 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 209 521 } #!CB name="LJ H209 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 203 524 } #!CB name="LJ C203 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 209 524 } #!CB name="LJ H209 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 203 527 } #!CB name="LJ C203 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 209 527 } #!CB name="LJ H209 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 203 530 } #!CB name="LJ C203 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 209 530 } #!CB name="LJ H209 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 203 533 } #!CB name="LJ C203 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 209 533 } #!CB name="LJ H209 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 203 536 } #!CB name="LJ C203 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 209 536 } #!CB name="LJ H209 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 203 615 } #!CB name="LJ C203 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 209 615 } #!CB name="LJ H209 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 203 618 } #!CB name="LJ C203 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 209 618 } #!CB name="LJ H209 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 203 621 } #!CB name="LJ C203 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 209 621 } #!CB name="LJ H209 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 203 624 } #!CB name="LJ C203 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 209 624 } #!CB name="LJ H209 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 203 627 } #!CB name="LJ C203 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 209 627 } #!CB name="LJ H209 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 203 630 } #!CB name="LJ C203 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 209 630 } #!CB name="LJ H209 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 203 633 } #!CB name="LJ C203 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 209 633 } #!CB name="LJ H209 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 203 636 } #!CB name="LJ C203 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 209 636 } #!CB name="LJ H209 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 203 715 } #!CB name="LJ C203 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 209 715 } #!CB name="LJ H209 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 203 718 } #!CB name="LJ C203 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 209 718 } #!CB name="LJ H209 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 203 721 } #!CB name="LJ C203 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 209 721 } #!CB name="LJ H209 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 203 724 } #!CB name="LJ C203 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 209 724 } #!CB name="LJ H209 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 203 727 } #!CB name="LJ C203 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 209 727 } #!CB name="LJ H209 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 203 730 } #!CB name="LJ C203 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 209 730 } #!CB name="LJ H209 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 203 733 } #!CB name="LJ C203 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 209 733 } #!CB name="LJ H209 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 203 736 } #!CB name="LJ C203 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 209 736 } #!CB name="LJ H209 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 204 15 } #!CB name="LJ C204 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 210 15 } #!CB name="LJ H210 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 204 18 } #!CB name="LJ C204 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 210 18 } #!CB name="LJ H210 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 204 21 } #!CB name="LJ C204 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 210 21 } #!CB name="LJ H210 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 204 24 } #!CB name="LJ C204 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 210 24 } #!CB name="LJ H210 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 204 27 } #!CB name="LJ C204 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 210 27 } #!CB name="LJ H210 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 204 30 } #!CB name="LJ C204 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 210 30 } #!CB name="LJ H210 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 204 33 } #!CB name="LJ C204 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 210 33 } #!CB name="LJ H210 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 204 36 } #!CB name="LJ C204 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 210 36 } #!CB name="LJ H210 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 204 115 } #!CB name="LJ C204 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 210 115 } #!CB name="LJ H210 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 204 118 } #!CB name="LJ C204 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 210 118 } #!CB name="LJ H210 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 204 121 } #!CB name="LJ C204 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 210 121 } #!CB name="LJ H210 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 204 124 } #!CB name="LJ C204 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 210 124 } #!CB name="LJ H210 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 204 127 } #!CB name="LJ C204 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 210 127 } #!CB name="LJ H210 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 204 130 } #!CB name="LJ C204 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 210 130 } #!CB name="LJ H210 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 204 133 } #!CB name="LJ C204 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 210 133 } #!CB name="LJ H210 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 204 136 } #!CB name="LJ C204 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 210 136 } #!CB name="LJ H210 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 204 215 } #!CB name="LJ C204 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 210 215 } #!CB name="LJ H210 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 204 218 } #!CB name="LJ C204 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 210 218 } #!CB name="LJ H210 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 204 221 } #!CB name="LJ C204 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 210 221 } #!CB name="LJ H210 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 204 224 } #!CB name="LJ C204 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 210 224 } #!CB name="LJ H210 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 204 227 } #!CB name="LJ C204 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 210 227 } #!CB name="LJ H210 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 204 230 } #!CB name="LJ C204 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 210 230 } #!CB name="LJ H210 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 204 233 } #!CB name="LJ C204 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 210 233 } #!CB name="LJ H210 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 204 236 } #!CB name="LJ C204 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 210 236 } #!CB name="LJ H210 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 204 315 } #!CB name="LJ C204 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 210 315 } #!CB name="LJ H210 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 204 318 } #!CB name="LJ C204 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 210 318 } #!CB name="LJ H210 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 204 321 } #!CB name="LJ C204 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 210 321 } #!CB name="LJ H210 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 204 324 } #!CB name="LJ C204 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 210 324 } #!CB name="LJ H210 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 204 327 } #!CB name="LJ C204 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 210 327 } #!CB name="LJ H210 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 204 330 } #!CB name="LJ C204 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 210 330 } #!CB name="LJ H210 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 204 333 } #!CB name="LJ C204 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 210 333 } #!CB name="LJ H210 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 204 336 } #!CB name="LJ C204 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 210 336 } #!CB name="LJ H210 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 204 415 } #!CB name="LJ C204 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 210 415 } #!CB name="LJ H210 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 204 418 } #!CB name="LJ C204 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 210 418 } #!CB name="LJ H210 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 204 421 } #!CB name="LJ C204 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 210 421 } #!CB name="LJ H210 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 204 424 } #!CB name="LJ C204 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 210 424 } #!CB name="LJ H210 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 204 427 } #!CB name="LJ C204 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 210 427 } #!CB name="LJ H210 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 204 430 } #!CB name="LJ C204 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 210 430 } #!CB name="LJ H210 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 204 433 } #!CB name="LJ C204 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 210 433 } #!CB name="LJ H210 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 204 436 } #!CB name="LJ C204 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 210 436 } #!CB name="LJ H210 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 204 515 } #!CB name="LJ C204 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 210 515 } #!CB name="LJ H210 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 204 518 } #!CB name="LJ C204 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 210 518 } #!CB name="LJ H210 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 204 521 } #!CB name="LJ C204 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 210 521 } #!CB name="LJ H210 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 204 524 } #!CB name="LJ C204 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 210 524 } #!CB name="LJ H210 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 204 527 } #!CB name="LJ C204 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 210 527 } #!CB name="LJ H210 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 204 530 } #!CB name="LJ C204 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 210 530 } #!CB name="LJ H210 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 204 533 } #!CB name="LJ C204 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 210 533 } #!CB name="LJ H210 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 204 536 } #!CB name="LJ C204 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 210 536 } #!CB name="LJ H210 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 204 615 } #!CB name="LJ C204 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 210 615 } #!CB name="LJ H210 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 204 618 } #!CB name="LJ C204 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 210 618 } #!CB name="LJ H210 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 204 621 } #!CB name="LJ C204 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 210 621 } #!CB name="LJ H210 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 204 624 } #!CB name="LJ C204 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 210 624 } #!CB name="LJ H210 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 204 627 } #!CB name="LJ C204 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 210 627 } #!CB name="LJ H210 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 204 630 } #!CB name="LJ C204 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 210 630 } #!CB name="LJ H210 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 204 633 } #!CB name="LJ C204 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 210 633 } #!CB name="LJ H210 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 204 636 } #!CB name="LJ C204 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 210 636 } #!CB name="LJ H210 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 204 715 } #!CB name="LJ C204 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 210 715 } #!CB name="LJ H210 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 204 718 } #!CB name="LJ C204 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 210 718 } #!CB name="LJ H210 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 204 721 } #!CB name="LJ C204 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 210 721 } #!CB name="LJ H210 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 204 724 } #!CB name="LJ C204 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 210 724 } #!CB name="LJ H210 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 204 727 } #!CB name="LJ C204 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 210 727 } #!CB name="LJ H210 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 204 730 } #!CB name="LJ C204 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 210 730 } #!CB name="LJ H210 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 204 733 } #!CB name="LJ C204 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 210 733 } #!CB name="LJ H210 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 204 736 } #!CB name="LJ C204 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 210 736 } #!CB name="LJ H210 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 205 15 } #!CB name="LJ C205 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 211 15 } #!CB name="LJ H211 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 205 18 } #!CB name="LJ C205 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 211 18 } #!CB name="LJ H211 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 205 21 } #!CB name="LJ C205 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 211 21 } #!CB name="LJ H211 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 205 24 } #!CB name="LJ C205 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 211 24 } #!CB name="LJ H211 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 205 27 } #!CB name="LJ C205 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 211 27 } #!CB name="LJ H211 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 205 30 } #!CB name="LJ C205 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 211 30 } #!CB name="LJ H211 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 205 33 } #!CB name="LJ C205 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 211 33 } #!CB name="LJ H211 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 205 36 } #!CB name="LJ C205 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 211 36 } #!CB name="LJ H211 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 205 115 } #!CB name="LJ C205 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 211 115 } #!CB name="LJ H211 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 205 118 } #!CB name="LJ C205 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 211 118 } #!CB name="LJ H211 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 205 121 } #!CB name="LJ C205 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 211 121 } #!CB name="LJ H211 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 205 124 } #!CB name="LJ C205 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 211 124 } #!CB name="LJ H211 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 205 127 } #!CB name="LJ C205 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 211 127 } #!CB name="LJ H211 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 205 130 } #!CB name="LJ C205 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 211 130 } #!CB name="LJ H211 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 205 133 } #!CB name="LJ C205 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 211 133 } #!CB name="LJ H211 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 205 136 } #!CB name="LJ C205 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 211 136 } #!CB name="LJ H211 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 205 215 } #!CB name="LJ C205 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 211 215 } #!CB name="LJ H211 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 205 218 } #!CB name="LJ C205 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 211 218 } #!CB name="LJ H211 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 205 221 } #!CB name="LJ C205 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 211 221 } #!CB name="LJ H211 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 205 224 } #!CB name="LJ C205 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 211 224 } #!CB name="LJ H211 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 205 227 } #!CB name="LJ C205 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 211 227 } #!CB name="LJ H211 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 205 230 } #!CB name="LJ C205 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 211 230 } #!CB name="LJ H211 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 205 233 } #!CB name="LJ C205 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 211 233 } #!CB name="LJ H211 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 205 236 } #!CB name="LJ C205 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 211 236 } #!CB name="LJ H211 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 205 315 } #!CB name="LJ C205 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 211 315 } #!CB name="LJ H211 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 205 318 } #!CB name="LJ C205 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 211 318 } #!CB name="LJ H211 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 205 321 } #!CB name="LJ C205 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 211 321 } #!CB name="LJ H211 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 205 324 } #!CB name="LJ C205 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 211 324 } #!CB name="LJ H211 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 205 327 } #!CB name="LJ C205 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 211 327 } #!CB name="LJ H211 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 205 330 } #!CB name="LJ C205 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 211 330 } #!CB name="LJ H211 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 205 333 } #!CB name="LJ C205 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 211 333 } #!CB name="LJ H211 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 205 336 } #!CB name="LJ C205 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 211 336 } #!CB name="LJ H211 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 205 415 } #!CB name="LJ C205 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 211 415 } #!CB name="LJ H211 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 205 418 } #!CB name="LJ C205 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 211 418 } #!CB name="LJ H211 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 205 421 } #!CB name="LJ C205 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 211 421 } #!CB name="LJ H211 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 205 424 } #!CB name="LJ C205 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 211 424 } #!CB name="LJ H211 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 205 427 } #!CB name="LJ C205 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 211 427 } #!CB name="LJ H211 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 205 430 } #!CB name="LJ C205 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 211 430 } #!CB name="LJ H211 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 205 433 } #!CB name="LJ C205 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 211 433 } #!CB name="LJ H211 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 205 436 } #!CB name="LJ C205 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 211 436 } #!CB name="LJ H211 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 205 515 } #!CB name="LJ C205 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 211 515 } #!CB name="LJ H211 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 205 518 } #!CB name="LJ C205 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 211 518 } #!CB name="LJ H211 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 205 521 } #!CB name="LJ C205 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 211 521 } #!CB name="LJ H211 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 205 524 } #!CB name="LJ C205 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 211 524 } #!CB name="LJ H211 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 205 527 } #!CB name="LJ C205 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 211 527 } #!CB name="LJ H211 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 205 530 } #!CB name="LJ C205 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 211 530 } #!CB name="LJ H211 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 205 533 } #!CB name="LJ C205 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 211 533 } #!CB name="LJ H211 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 205 536 } #!CB name="LJ C205 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 211 536 } #!CB name="LJ H211 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 205 615 } #!CB name="LJ C205 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 211 615 } #!CB name="LJ H211 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 205 618 } #!CB name="LJ C205 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 211 618 } #!CB name="LJ H211 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 205 621 } #!CB name="LJ C205 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 211 621 } #!CB name="LJ H211 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 205 624 } #!CB name="LJ C205 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 211 624 } #!CB name="LJ H211 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 205 627 } #!CB name="LJ C205 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 211 627 } #!CB name="LJ H211 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 205 630 } #!CB name="LJ C205 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 211 630 } #!CB name="LJ H211 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 205 633 } #!CB name="LJ C205 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 211 633 } #!CB name="LJ H211 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 205 636 } #!CB name="LJ C205 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 211 636 } #!CB name="LJ H211 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 205 715 } #!CB name="LJ C205 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 211 715 } #!CB name="LJ H211 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 205 718 } #!CB name="LJ C205 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 211 718 } #!CB name="LJ H211 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 205 721 } #!CB name="LJ C205 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 211 721 } #!CB name="LJ H211 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 205 724 } #!CB name="LJ C205 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 211 724 } #!CB name="LJ H211 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 205 727 } #!CB name="LJ C205 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 211 727 } #!CB name="LJ H211 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 205 730 } #!CB name="LJ C205 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 211 730 } #!CB name="LJ H211 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 205 733 } #!CB name="LJ C205 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 211 733 } #!CB name="LJ H211 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 205 736 } #!CB name="LJ C205 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 211 736 } #!CB name="LJ H211 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 300 15 } #!CB name="LJ C300 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 306 15 } #!CB name="LJ H306 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 300 18 } #!CB name="LJ C300 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 306 18 } #!CB name="LJ H306 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 300 21 } #!CB name="LJ C300 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 306 21 } #!CB name="LJ H306 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 300 24 } #!CB name="LJ C300 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 306 24 } #!CB name="LJ H306 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 300 27 } #!CB name="LJ C300 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 306 27 } #!CB name="LJ H306 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 300 30 } #!CB name="LJ C300 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 306 30 } #!CB name="LJ H306 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 300 33 } #!CB name="LJ C300 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 306 33 } #!CB name="LJ H306 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 300 36 } #!CB name="LJ C300 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 306 36 } #!CB name="LJ H306 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 300 115 } #!CB name="LJ C300 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 306 115 } #!CB name="LJ H306 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 300 118 } #!CB name="LJ C300 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 306 118 } #!CB name="LJ H306 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 300 121 } #!CB name="LJ C300 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 306 121 } #!CB name="LJ H306 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 300 124 } #!CB name="LJ C300 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 306 124 } #!CB name="LJ H306 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 300 127 } #!CB name="LJ C300 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 306 127 } #!CB name="LJ H306 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 300 130 } #!CB name="LJ C300 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 306 130 } #!CB name="LJ H306 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 300 133 } #!CB name="LJ C300 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 306 133 } #!CB name="LJ H306 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 300 136 } #!CB name="LJ C300 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 306 136 } #!CB name="LJ H306 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 300 215 } #!CB name="LJ C300 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 306 215 } #!CB name="LJ H306 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 300 218 } #!CB name="LJ C300 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 306 218 } #!CB name="LJ H306 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 300 221 } #!CB name="LJ C300 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 306 221 } #!CB name="LJ H306 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 300 224 } #!CB name="LJ C300 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 306 224 } #!CB name="LJ H306 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 300 227 } #!CB name="LJ C300 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 306 227 } #!CB name="LJ H306 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 300 230 } #!CB name="LJ C300 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 306 230 } #!CB name="LJ H306 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 300 233 } #!CB name="LJ C300 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 306 233 } #!CB name="LJ H306 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 300 236 } #!CB name="LJ C300 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 306 236 } #!CB name="LJ H306 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 300 315 } #!CB name="LJ C300 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 306 315 } #!CB name="LJ H306 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 300 318 } #!CB name="LJ C300 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 306 318 } #!CB name="LJ H306 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 300 321 } #!CB name="LJ C300 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 306 321 } #!CB name="LJ H306 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 300 324 } #!CB name="LJ C300 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 306 324 } #!CB name="LJ H306 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 300 327 } #!CB name="LJ C300 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 306 327 } #!CB name="LJ H306 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 300 330 } #!CB name="LJ C300 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 306 330 } #!CB name="LJ H306 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 300 333 } #!CB name="LJ C300 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 306 333 } #!CB name="LJ H306 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 300 336 } #!CB name="LJ C300 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 306 336 } #!CB name="LJ H306 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 300 415 } #!CB name="LJ C300 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 306 415 } #!CB name="LJ H306 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 300 418 } #!CB name="LJ C300 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 306 418 } #!CB name="LJ H306 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 300 421 } #!CB name="LJ C300 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 306 421 } #!CB name="LJ H306 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 300 424 } #!CB name="LJ C300 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 306 424 } #!CB name="LJ H306 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 300 427 } #!CB name="LJ C300 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 306 427 } #!CB name="LJ H306 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 300 430 } #!CB name="LJ C300 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 306 430 } #!CB name="LJ H306 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 300 433 } #!CB name="LJ C300 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 306 433 } #!CB name="LJ H306 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 300 436 } #!CB name="LJ C300 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 306 436 } #!CB name="LJ H306 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 300 515 } #!CB name="LJ C300 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 306 515 } #!CB name="LJ H306 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 300 518 } #!CB name="LJ C300 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 306 518 } #!CB name="LJ H306 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 300 521 } #!CB name="LJ C300 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 306 521 } #!CB name="LJ H306 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 300 524 } #!CB name="LJ C300 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 306 524 } #!CB name="LJ H306 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 300 527 } #!CB name="LJ C300 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 306 527 } #!CB name="LJ H306 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 300 530 } #!CB name="LJ C300 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 306 530 } #!CB name="LJ H306 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 300 533 } #!CB name="LJ C300 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 306 533 } #!CB name="LJ H306 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 300 536 } #!CB name="LJ C300 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 306 536 } #!CB name="LJ H306 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 300 615 } #!CB name="LJ C300 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 306 615 } #!CB name="LJ H306 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 300 618 } #!CB name="LJ C300 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 306 618 } #!CB name="LJ H306 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 300 621 } #!CB name="LJ C300 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 306 621 } #!CB name="LJ H306 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 300 624 } #!CB name="LJ C300 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 306 624 } #!CB name="LJ H306 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 300 627 } #!CB name="LJ C300 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 306 627 } #!CB name="LJ H306 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 300 630 } #!CB name="LJ C300 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 306 630 } #!CB name="LJ H306 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 300 633 } #!CB name="LJ C300 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 306 633 } #!CB name="LJ H306 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 300 636 } #!CB name="LJ C300 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 306 636 } #!CB name="LJ H306 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 300 715 } #!CB name="LJ C300 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 306 715 } #!CB name="LJ H306 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 300 718 } #!CB name="LJ C300 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 306 718 } #!CB name="LJ H306 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 300 721 } #!CB name="LJ C300 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 306 721 } #!CB name="LJ H306 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 300 724 } #!CB name="LJ C300 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 306 724 } #!CB name="LJ H306 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 300 727 } #!CB name="LJ C300 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 306 727 } #!CB name="LJ H306 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 300 730 } #!CB name="LJ C300 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 306 730 } #!CB name="LJ H306 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 300 733 } #!CB name="LJ C300 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 306 733 } #!CB name="LJ H306 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 300 736 } #!CB name="LJ C300 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 306 736 } #!CB name="LJ H306 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 301 15 } #!CB name="LJ C301 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 307 15 } #!CB name="LJ H307 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 301 18 } #!CB name="LJ C301 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 307 18 } #!CB name="LJ H307 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 301 21 } #!CB name="LJ C301 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 307 21 } #!CB name="LJ H307 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 301 24 } #!CB name="LJ C301 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 307 24 } #!CB name="LJ H307 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 301 27 } #!CB name="LJ C301 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 307 27 } #!CB name="LJ H307 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 301 30 } #!CB name="LJ C301 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 307 30 } #!CB name="LJ H307 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 301 33 } #!CB name="LJ C301 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 307 33 } #!CB name="LJ H307 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 301 36 } #!CB name="LJ C301 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 307 36 } #!CB name="LJ H307 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 301 115 } #!CB name="LJ C301 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 307 115 } #!CB name="LJ H307 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 301 118 } #!CB name="LJ C301 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 307 118 } #!CB name="LJ H307 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 301 121 } #!CB name="LJ C301 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 307 121 } #!CB name="LJ H307 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 301 124 } #!CB name="LJ C301 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 307 124 } #!CB name="LJ H307 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 301 127 } #!CB name="LJ C301 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 307 127 } #!CB name="LJ H307 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 301 130 } #!CB name="LJ C301 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 307 130 } #!CB name="LJ H307 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 301 133 } #!CB name="LJ C301 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 307 133 } #!CB name="LJ H307 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 301 136 } #!CB name="LJ C301 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 307 136 } #!CB name="LJ H307 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 301 215 } #!CB name="LJ C301 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 307 215 } #!CB name="LJ H307 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 301 218 } #!CB name="LJ C301 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 307 218 } #!CB name="LJ H307 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 301 221 } #!CB name="LJ C301 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 307 221 } #!CB name="LJ H307 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 301 224 } #!CB name="LJ C301 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 307 224 } #!CB name="LJ H307 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 301 227 } #!CB name="LJ C301 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 307 227 } #!CB name="LJ H307 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 301 230 } #!CB name="LJ C301 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 307 230 } #!CB name="LJ H307 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 301 233 } #!CB name="LJ C301 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 307 233 } #!CB name="LJ H307 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 301 236 } #!CB name="LJ C301 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 307 236 } #!CB name="LJ H307 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 301 315 } #!CB name="LJ C301 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 307 315 } #!CB name="LJ H307 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 301 318 } #!CB name="LJ C301 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 307 318 } #!CB name="LJ H307 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 301 321 } #!CB name="LJ C301 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 307 321 } #!CB name="LJ H307 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 301 324 } #!CB name="LJ C301 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 307 324 } #!CB name="LJ H307 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 301 327 } #!CB name="LJ C301 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 307 327 } #!CB name="LJ H307 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 301 330 } #!CB name="LJ C301 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 307 330 } #!CB name="LJ H307 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 301 333 } #!CB name="LJ C301 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 307 333 } #!CB name="LJ H307 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 301 336 } #!CB name="LJ C301 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 307 336 } #!CB name="LJ H307 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 301 415 } #!CB name="LJ C301 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 307 415 } #!CB name="LJ H307 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 301 418 } #!CB name="LJ C301 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 307 418 } #!CB name="LJ H307 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 301 421 } #!CB name="LJ C301 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 307 421 } #!CB name="LJ H307 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 301 424 } #!CB name="LJ C301 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 307 424 } #!CB name="LJ H307 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 301 427 } #!CB name="LJ C301 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 307 427 } #!CB name="LJ H307 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 301 430 } #!CB name="LJ C301 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 307 430 } #!CB name="LJ H307 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 301 433 } #!CB name="LJ C301 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 307 433 } #!CB name="LJ H307 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 301 436 } #!CB name="LJ C301 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 307 436 } #!CB name="LJ H307 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 301 515 } #!CB name="LJ C301 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 307 515 } #!CB name="LJ H307 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 301 518 } #!CB name="LJ C301 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 307 518 } #!CB name="LJ H307 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 301 521 } #!CB name="LJ C301 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 307 521 } #!CB name="LJ H307 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 301 524 } #!CB name="LJ C301 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 307 524 } #!CB name="LJ H307 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 301 527 } #!CB name="LJ C301 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 307 527 } #!CB name="LJ H307 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 301 530 } #!CB name="LJ C301 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 307 530 } #!CB name="LJ H307 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 301 533 } #!CB name="LJ C301 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 307 533 } #!CB name="LJ H307 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 301 536 } #!CB name="LJ C301 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 307 536 } #!CB name="LJ H307 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 301 615 } #!CB name="LJ C301 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 307 615 } #!CB name="LJ H307 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 301 618 } #!CB name="LJ C301 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 307 618 } #!CB name="LJ H307 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 301 621 } #!CB name="LJ C301 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 307 621 } #!CB name="LJ H307 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 301 624 } #!CB name="LJ C301 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 307 624 } #!CB name="LJ H307 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 301 627 } #!CB name="LJ C301 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 307 627 } #!CB name="LJ H307 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 301 630 } #!CB name="LJ C301 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 307 630 } #!CB name="LJ H307 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 301 633 } #!CB name="LJ C301 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 307 633 } #!CB name="LJ H307 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 301 636 } #!CB name="LJ C301 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 307 636 } #!CB name="LJ H307 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 301 715 } #!CB name="LJ C301 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 307 715 } #!CB name="LJ H307 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 301 718 } #!CB name="LJ C301 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 307 718 } #!CB name="LJ H307 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 301 721 } #!CB name="LJ C301 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 307 721 } #!CB name="LJ H307 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 301 724 } #!CB name="LJ C301 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 307 724 } #!CB name="LJ H307 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 301 727 } #!CB name="LJ C301 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 307 727 } #!CB name="LJ H307 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 301 730 } #!CB name="LJ C301 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 307 730 } #!CB name="LJ H307 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 301 733 } #!CB name="LJ C301 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 307 733 } #!CB name="LJ H307 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 301 736 } #!CB name="LJ C301 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 307 736 } #!CB name="LJ H307 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 302 15 } #!CB name="LJ C302 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 308 15 } #!CB name="LJ H308 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 302 18 } #!CB name="LJ C302 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 308 18 } #!CB name="LJ H308 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 302 21 } #!CB name="LJ C302 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 308 21 } #!CB name="LJ H308 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 302 24 } #!CB name="LJ C302 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 308 24 } #!CB name="LJ H308 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 302 27 } #!CB name="LJ C302 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 308 27 } #!CB name="LJ H308 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 302 30 } #!CB name="LJ C302 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 308 30 } #!CB name="LJ H308 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 302 33 } #!CB name="LJ C302 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 308 33 } #!CB name="LJ H308 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 302 36 } #!CB name="LJ C302 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 308 36 } #!CB name="LJ H308 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 302 115 } #!CB name="LJ C302 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 308 115 } #!CB name="LJ H308 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 302 118 } #!CB name="LJ C302 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 308 118 } #!CB name="LJ H308 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 302 121 } #!CB name="LJ C302 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 308 121 } #!CB name="LJ H308 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 302 124 } #!CB name="LJ C302 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 308 124 } #!CB name="LJ H308 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 302 127 } #!CB name="LJ C302 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 308 127 } #!CB name="LJ H308 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 302 130 } #!CB name="LJ C302 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 308 130 } #!CB name="LJ H308 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 302 133 } #!CB name="LJ C302 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 308 133 } #!CB name="LJ H308 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 302 136 } #!CB name="LJ C302 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 308 136 } #!CB name="LJ H308 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 302 215 } #!CB name="LJ C302 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 308 215 } #!CB name="LJ H308 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 302 218 } #!CB name="LJ C302 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 308 218 } #!CB name="LJ H308 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 302 221 } #!CB name="LJ C302 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 308 221 } #!CB name="LJ H308 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 302 224 } #!CB name="LJ C302 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 308 224 } #!CB name="LJ H308 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 302 227 } #!CB name="LJ C302 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 308 227 } #!CB name="LJ H308 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 302 230 } #!CB name="LJ C302 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 308 230 } #!CB name="LJ H308 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 302 233 } #!CB name="LJ C302 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 308 233 } #!CB name="LJ H308 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 302 236 } #!CB name="LJ C302 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 308 236 } #!CB name="LJ H308 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 302 315 } #!CB name="LJ C302 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 308 315 } #!CB name="LJ H308 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 302 318 } #!CB name="LJ C302 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 308 318 } #!CB name="LJ H308 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 302 321 } #!CB name="LJ C302 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 308 321 } #!CB name="LJ H308 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 302 324 } #!CB name="LJ C302 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 308 324 } #!CB name="LJ H308 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 302 327 } #!CB name="LJ C302 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 308 327 } #!CB name="LJ H308 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 302 330 } #!CB name="LJ C302 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 308 330 } #!CB name="LJ H308 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 302 333 } #!CB name="LJ C302 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 308 333 } #!CB name="LJ H308 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 302 336 } #!CB name="LJ C302 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 308 336 } #!CB name="LJ H308 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 302 415 } #!CB name="LJ C302 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 308 415 } #!CB name="LJ H308 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 302 418 } #!CB name="LJ C302 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 308 418 } #!CB name="LJ H308 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 302 421 } #!CB name="LJ C302 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 308 421 } #!CB name="LJ H308 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 302 424 } #!CB name="LJ C302 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 308 424 } #!CB name="LJ H308 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 302 427 } #!CB name="LJ C302 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 308 427 } #!CB name="LJ H308 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 302 430 } #!CB name="LJ C302 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 308 430 } #!CB name="LJ H308 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 302 433 } #!CB name="LJ C302 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 308 433 } #!CB name="LJ H308 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 302 436 } #!CB name="LJ C302 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 308 436 } #!CB name="LJ H308 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 302 515 } #!CB name="LJ C302 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 308 515 } #!CB name="LJ H308 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 302 518 } #!CB name="LJ C302 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 308 518 } #!CB name="LJ H308 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 302 521 } #!CB name="LJ C302 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 308 521 } #!CB name="LJ H308 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 302 524 } #!CB name="LJ C302 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 308 524 } #!CB name="LJ H308 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 302 527 } #!CB name="LJ C302 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 308 527 } #!CB name="LJ H308 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 302 530 } #!CB name="LJ C302 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 308 530 } #!CB name="LJ H308 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 302 533 } #!CB name="LJ C302 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 308 533 } #!CB name="LJ H308 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 302 536 } #!CB name="LJ C302 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 308 536 } #!CB name="LJ H308 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 302 615 } #!CB name="LJ C302 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 308 615 } #!CB name="LJ H308 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 302 618 } #!CB name="LJ C302 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 308 618 } #!CB name="LJ H308 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 302 621 } #!CB name="LJ C302 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 308 621 } #!CB name="LJ H308 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 302 624 } #!CB name="LJ C302 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 308 624 } #!CB name="LJ H308 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 302 627 } #!CB name="LJ C302 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 308 627 } #!CB name="LJ H308 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 302 630 } #!CB name="LJ C302 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 308 630 } #!CB name="LJ H308 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 302 633 } #!CB name="LJ C302 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 308 633 } #!CB name="LJ H308 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 302 636 } #!CB name="LJ C302 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 308 636 } #!CB name="LJ H308 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 302 715 } #!CB name="LJ C302 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 308 715 } #!CB name="LJ H308 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 302 718 } #!CB name="LJ C302 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 308 718 } #!CB name="LJ H308 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 302 721 } #!CB name="LJ C302 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 308 721 } #!CB name="LJ H308 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 302 724 } #!CB name="LJ C302 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 308 724 } #!CB name="LJ H308 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 302 727 } #!CB name="LJ C302 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 308 727 } #!CB name="LJ H308 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 302 730 } #!CB name="LJ C302 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 308 730 } #!CB name="LJ H308 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 302 733 } #!CB name="LJ C302 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 308 733 } #!CB name="LJ H308 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 302 736 } #!CB name="LJ C302 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 308 736 } #!CB name="LJ H308 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 303 15 } #!CB name="LJ C303 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 309 15 } #!CB name="LJ H309 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 303 18 } #!CB name="LJ C303 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 309 18 } #!CB name="LJ H309 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 303 21 } #!CB name="LJ C303 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 309 21 } #!CB name="LJ H309 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 303 24 } #!CB name="LJ C303 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 309 24 } #!CB name="LJ H309 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 303 27 } #!CB name="LJ C303 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 309 27 } #!CB name="LJ H309 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 303 30 } #!CB name="LJ C303 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 309 30 } #!CB name="LJ H309 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 303 33 } #!CB name="LJ C303 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 309 33 } #!CB name="LJ H309 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 303 36 } #!CB name="LJ C303 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 309 36 } #!CB name="LJ H309 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 303 115 } #!CB name="LJ C303 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 309 115 } #!CB name="LJ H309 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 303 118 } #!CB name="LJ C303 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 309 118 } #!CB name="LJ H309 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 303 121 } #!CB name="LJ C303 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 309 121 } #!CB name="LJ H309 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 303 124 } #!CB name="LJ C303 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 309 124 } #!CB name="LJ H309 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 303 127 } #!CB name="LJ C303 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 309 127 } #!CB name="LJ H309 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 303 130 } #!CB name="LJ C303 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 309 130 } #!CB name="LJ H309 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 303 133 } #!CB name="LJ C303 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 309 133 } #!CB name="LJ H309 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 303 136 } #!CB name="LJ C303 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 309 136 } #!CB name="LJ H309 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 303 215 } #!CB name="LJ C303 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 309 215 } #!CB name="LJ H309 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 303 218 } #!CB name="LJ C303 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 309 218 } #!CB name="LJ H309 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 303 221 } #!CB name="LJ C303 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 309 221 } #!CB name="LJ H309 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 303 224 } #!CB name="LJ C303 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 309 224 } #!CB name="LJ H309 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 303 227 } #!CB name="LJ C303 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 309 227 } #!CB name="LJ H309 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 303 230 } #!CB name="LJ C303 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 309 230 } #!CB name="LJ H309 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 303 233 } #!CB name="LJ C303 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 309 233 } #!CB name="LJ H309 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 303 236 } #!CB name="LJ C303 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 309 236 } #!CB name="LJ H309 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 303 315 } #!CB name="LJ C303 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 309 315 } #!CB name="LJ H309 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 303 318 } #!CB name="LJ C303 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 309 318 } #!CB name="LJ H309 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 303 321 } #!CB name="LJ C303 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 309 321 } #!CB name="LJ H309 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 303 324 } #!CB name="LJ C303 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 309 324 } #!CB name="LJ H309 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 303 327 } #!CB name="LJ C303 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 309 327 } #!CB name="LJ H309 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 303 330 } #!CB name="LJ C303 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 309 330 } #!CB name="LJ H309 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 303 333 } #!CB name="LJ C303 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 309 333 } #!CB name="LJ H309 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 303 336 } #!CB name="LJ C303 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 309 336 } #!CB name="LJ H309 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 303 415 } #!CB name="LJ C303 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 309 415 } #!CB name="LJ H309 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 303 418 } #!CB name="LJ C303 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 309 418 } #!CB name="LJ H309 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 303 421 } #!CB name="LJ C303 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 309 421 } #!CB name="LJ H309 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 303 424 } #!CB name="LJ C303 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 309 424 } #!CB name="LJ H309 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 303 427 } #!CB name="LJ C303 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 309 427 } #!CB name="LJ H309 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 303 430 } #!CB name="LJ C303 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 309 430 } #!CB name="LJ H309 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 303 433 } #!CB name="LJ C303 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 309 433 } #!CB name="LJ H309 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 303 436 } #!CB name="LJ C303 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 309 436 } #!CB name="LJ H309 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 303 515 } #!CB name="LJ C303 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 309 515 } #!CB name="LJ H309 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 303 518 } #!CB name="LJ C303 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 309 518 } #!CB name="LJ H309 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 303 521 } #!CB name="LJ C303 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 309 521 } #!CB name="LJ H309 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 303 524 } #!CB name="LJ C303 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 309 524 } #!CB name="LJ H309 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 303 527 } #!CB name="LJ C303 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 309 527 } #!CB name="LJ H309 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 303 530 } #!CB name="LJ C303 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 309 530 } #!CB name="LJ H309 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 303 533 } #!CB name="LJ C303 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 309 533 } #!CB name="LJ H309 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 303 536 } #!CB name="LJ C303 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 309 536 } #!CB name="LJ H309 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 303 615 } #!CB name="LJ C303 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 309 615 } #!CB name="LJ H309 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 303 618 } #!CB name="LJ C303 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 309 618 } #!CB name="LJ H309 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 303 621 } #!CB name="LJ C303 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 309 621 } #!CB name="LJ H309 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 303 624 } #!CB name="LJ C303 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 309 624 } #!CB name="LJ H309 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 303 627 } #!CB name="LJ C303 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 309 627 } #!CB name="LJ H309 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 303 630 } #!CB name="LJ C303 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 309 630 } #!CB name="LJ H309 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 303 633 } #!CB name="LJ C303 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 309 633 } #!CB name="LJ H309 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 303 636 } #!CB name="LJ C303 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 309 636 } #!CB name="LJ H309 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 303 715 } #!CB name="LJ C303 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 309 715 } #!CB name="LJ H309 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 303 718 } #!CB name="LJ C303 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 309 718 } #!CB name="LJ H309 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 303 721 } #!CB name="LJ C303 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 309 721 } #!CB name="LJ H309 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 303 724 } #!CB name="LJ C303 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 309 724 } #!CB name="LJ H309 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 303 727 } #!CB name="LJ C303 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 309 727 } #!CB name="LJ H309 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 303 730 } #!CB name="LJ C303 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 309 730 } #!CB name="LJ H309 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 303 733 } #!CB name="LJ C303 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 309 733 } #!CB name="LJ H309 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 303 736 } #!CB name="LJ C303 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 309 736 } #!CB name="LJ H309 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 304 15 } #!CB name="LJ C304 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 310 15 } #!CB name="LJ H310 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 304 18 } #!CB name="LJ C304 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 310 18 } #!CB name="LJ H310 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 304 21 } #!CB name="LJ C304 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 310 21 } #!CB name="LJ H310 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 304 24 } #!CB name="LJ C304 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 310 24 } #!CB name="LJ H310 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 304 27 } #!CB name="LJ C304 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 310 27 } #!CB name="LJ H310 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 304 30 } #!CB name="LJ C304 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 310 30 } #!CB name="LJ H310 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 304 33 } #!CB name="LJ C304 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 310 33 } #!CB name="LJ H310 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 304 36 } #!CB name="LJ C304 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 310 36 } #!CB name="LJ H310 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 304 115 } #!CB name="LJ C304 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 310 115 } #!CB name="LJ H310 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 304 118 } #!CB name="LJ C304 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 310 118 } #!CB name="LJ H310 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 304 121 } #!CB name="LJ C304 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 310 121 } #!CB name="LJ H310 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 304 124 } #!CB name="LJ C304 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 310 124 } #!CB name="LJ H310 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 304 127 } #!CB name="LJ C304 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 310 127 } #!CB name="LJ H310 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 304 130 } #!CB name="LJ C304 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 310 130 } #!CB name="LJ H310 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 304 133 } #!CB name="LJ C304 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 310 133 } #!CB name="LJ H310 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 304 136 } #!CB name="LJ C304 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 310 136 } #!CB name="LJ H310 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 304 215 } #!CB name="LJ C304 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 310 215 } #!CB name="LJ H310 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 304 218 } #!CB name="LJ C304 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 310 218 } #!CB name="LJ H310 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 304 221 } #!CB name="LJ C304 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 310 221 } #!CB name="LJ H310 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 304 224 } #!CB name="LJ C304 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 310 224 } #!CB name="LJ H310 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 304 227 } #!CB name="LJ C304 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 310 227 } #!CB name="LJ H310 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 304 230 } #!CB name="LJ C304 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 310 230 } #!CB name="LJ H310 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 304 233 } #!CB name="LJ C304 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 310 233 } #!CB name="LJ H310 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 304 236 } #!CB name="LJ C304 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 310 236 } #!CB name="LJ H310 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 304 315 } #!CB name="LJ C304 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 310 315 } #!CB name="LJ H310 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 304 318 } #!CB name="LJ C304 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 310 318 } #!CB name="LJ H310 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 304 321 } #!CB name="LJ C304 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 310 321 } #!CB name="LJ H310 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 304 324 } #!CB name="LJ C304 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 310 324 } #!CB name="LJ H310 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 304 327 } #!CB name="LJ C304 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 310 327 } #!CB name="LJ H310 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 304 330 } #!CB name="LJ C304 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 310 330 } #!CB name="LJ H310 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 304 333 } #!CB name="LJ C304 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 310 333 } #!CB name="LJ H310 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 304 336 } #!CB name="LJ C304 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 310 336 } #!CB name="LJ H310 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 304 415 } #!CB name="LJ C304 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 310 415 } #!CB name="LJ H310 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 304 418 } #!CB name="LJ C304 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 310 418 } #!CB name="LJ H310 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 304 421 } #!CB name="LJ C304 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 310 421 } #!CB name="LJ H310 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 304 424 } #!CB name="LJ C304 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 310 424 } #!CB name="LJ H310 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 304 427 } #!CB name="LJ C304 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 310 427 } #!CB name="LJ H310 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 304 430 } #!CB name="LJ C304 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 310 430 } #!CB name="LJ H310 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 304 433 } #!CB name="LJ C304 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 310 433 } #!CB name="LJ H310 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 304 436 } #!CB name="LJ C304 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 310 436 } #!CB name="LJ H310 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 304 515 } #!CB name="LJ C304 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 310 515 } #!CB name="LJ H310 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 304 518 } #!CB name="LJ C304 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 310 518 } #!CB name="LJ H310 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 304 521 } #!CB name="LJ C304 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 310 521 } #!CB name="LJ H310 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 304 524 } #!CB name="LJ C304 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 310 524 } #!CB name="LJ H310 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 304 527 } #!CB name="LJ C304 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 310 527 } #!CB name="LJ H310 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 304 530 } #!CB name="LJ C304 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 310 530 } #!CB name="LJ H310 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 304 533 } #!CB name="LJ C304 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 310 533 } #!CB name="LJ H310 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 304 536 } #!CB name="LJ C304 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 310 536 } #!CB name="LJ H310 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 304 615 } #!CB name="LJ C304 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 310 615 } #!CB name="LJ H310 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 304 618 } #!CB name="LJ C304 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 310 618 } #!CB name="LJ H310 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 304 621 } #!CB name="LJ C304 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 310 621 } #!CB name="LJ H310 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 304 624 } #!CB name="LJ C304 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 310 624 } #!CB name="LJ H310 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 304 627 } #!CB name="LJ C304 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 310 627 } #!CB name="LJ H310 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 304 630 } #!CB name="LJ C304 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 310 630 } #!CB name="LJ H310 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 304 633 } #!CB name="LJ C304 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 310 633 } #!CB name="LJ H310 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 304 636 } #!CB name="LJ C304 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 310 636 } #!CB name="LJ H310 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 304 715 } #!CB name="LJ C304 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 310 715 } #!CB name="LJ H310 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 304 718 } #!CB name="LJ C304 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 310 718 } #!CB name="LJ H310 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 304 721 } #!CB name="LJ C304 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 310 721 } #!CB name="LJ H310 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 304 724 } #!CB name="LJ C304 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 310 724 } #!CB name="LJ H310 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 304 727 } #!CB name="LJ C304 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 310 727 } #!CB name="LJ H310 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 304 730 } #!CB name="LJ C304 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 310 730 } #!CB name="LJ H310 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 304 733 } #!CB name="LJ C304 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 310 733 } #!CB name="LJ H310 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 304 736 } #!CB name="LJ C304 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 310 736 } #!CB name="LJ H310 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 305 15 } #!CB name="LJ C305 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 311 15 } #!CB name="LJ H311 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 305 18 } #!CB name="LJ C305 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 311 18 } #!CB name="LJ H311 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 305 21 } #!CB name="LJ C305 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 311 21 } #!CB name="LJ H311 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 305 24 } #!CB name="LJ C305 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 311 24 } #!CB name="LJ H311 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 305 27 } #!CB name="LJ C305 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 311 27 } #!CB name="LJ H311 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 305 30 } #!CB name="LJ C305 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 311 30 } #!CB name="LJ H311 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 305 33 } #!CB name="LJ C305 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 311 33 } #!CB name="LJ H311 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 305 36 } #!CB name="LJ C305 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 311 36 } #!CB name="LJ H311 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 305 115 } #!CB name="LJ C305 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 311 115 } #!CB name="LJ H311 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 305 118 } #!CB name="LJ C305 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 311 118 } #!CB name="LJ H311 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 305 121 } #!CB name="LJ C305 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 311 121 } #!CB name="LJ H311 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 305 124 } #!CB name="LJ C305 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 311 124 } #!CB name="LJ H311 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 305 127 } #!CB name="LJ C305 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 311 127 } #!CB name="LJ H311 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 305 130 } #!CB name="LJ C305 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 311 130 } #!CB name="LJ H311 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 305 133 } #!CB name="LJ C305 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 311 133 } #!CB name="LJ H311 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 305 136 } #!CB name="LJ C305 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 311 136 } #!CB name="LJ H311 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 305 215 } #!CB name="LJ C305 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 311 215 } #!CB name="LJ H311 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 305 218 } #!CB name="LJ C305 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 311 218 } #!CB name="LJ H311 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 305 221 } #!CB name="LJ C305 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 311 221 } #!CB name="LJ H311 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 305 224 } #!CB name="LJ C305 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 311 224 } #!CB name="LJ H311 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 305 227 } #!CB name="LJ C305 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 311 227 } #!CB name="LJ H311 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 305 230 } #!CB name="LJ C305 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 311 230 } #!CB name="LJ H311 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 305 233 } #!CB name="LJ C305 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 311 233 } #!CB name="LJ H311 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 305 236 } #!CB name="LJ C305 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 311 236 } #!CB name="LJ H311 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 305 315 } #!CB name="LJ C305 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 311 315 } #!CB name="LJ H311 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 305 318 } #!CB name="LJ C305 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 311 318 } #!CB name="LJ H311 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 305 321 } #!CB name="LJ C305 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 311 321 } #!CB name="LJ H311 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 305 324 } #!CB name="LJ C305 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 311 324 } #!CB name="LJ H311 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 305 327 } #!CB name="LJ C305 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 311 327 } #!CB name="LJ H311 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 305 330 } #!CB name="LJ C305 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 311 330 } #!CB name="LJ H311 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 305 333 } #!CB name="LJ C305 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 311 333 } #!CB name="LJ H311 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 305 336 } #!CB name="LJ C305 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 311 336 } #!CB name="LJ H311 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 305 415 } #!CB name="LJ C305 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 311 415 } #!CB name="LJ H311 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 305 418 } #!CB name="LJ C305 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 311 418 } #!CB name="LJ H311 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 305 421 } #!CB name="LJ C305 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 311 421 } #!CB name="LJ H311 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 305 424 } #!CB name="LJ C305 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 311 424 } #!CB name="LJ H311 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 305 427 } #!CB name="LJ C305 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 311 427 } #!CB name="LJ H311 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 305 430 } #!CB name="LJ C305 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 311 430 } #!CB name="LJ H311 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 305 433 } #!CB name="LJ C305 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 311 433 } #!CB name="LJ H311 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 305 436 } #!CB name="LJ C305 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 311 436 } #!CB name="LJ H311 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 305 515 } #!CB name="LJ C305 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 311 515 } #!CB name="LJ H311 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 305 518 } #!CB name="LJ C305 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 311 518 } #!CB name="LJ H311 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 305 521 } #!CB name="LJ C305 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 311 521 } #!CB name="LJ H311 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 305 524 } #!CB name="LJ C305 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 311 524 } #!CB name="LJ H311 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 305 527 } #!CB name="LJ C305 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 311 527 } #!CB name="LJ H311 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 305 530 } #!CB name="LJ C305 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 311 530 } #!CB name="LJ H311 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 305 533 } #!CB name="LJ C305 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 311 533 } #!CB name="LJ H311 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 305 536 } #!CB name="LJ C305 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 311 536 } #!CB name="LJ H311 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 305 615 } #!CB name="LJ C305 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 311 615 } #!CB name="LJ H311 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 305 618 } #!CB name="LJ C305 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 311 618 } #!CB name="LJ H311 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 305 621 } #!CB name="LJ C305 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 311 621 } #!CB name="LJ H311 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 305 624 } #!CB name="LJ C305 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 311 624 } #!CB name="LJ H311 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 305 627 } #!CB name="LJ C305 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 311 627 } #!CB name="LJ H311 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 305 630 } #!CB name="LJ C305 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 311 630 } #!CB name="LJ H311 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 305 633 } #!CB name="LJ C305 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 311 633 } #!CB name="LJ H311 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 305 636 } #!CB name="LJ C305 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 311 636 } #!CB name="LJ H311 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 305 715 } #!CB name="LJ C305 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 311 715 } #!CB name="LJ H311 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 305 718 } #!CB name="LJ C305 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 311 718 } #!CB name="LJ H311 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 305 721 } #!CB name="LJ C305 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 311 721 } #!CB name="LJ H311 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 305 724 } #!CB name="LJ C305 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 311 724 } #!CB name="LJ H311 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 305 727 } #!CB name="LJ C305 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 311 727 } #!CB name="LJ H311 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 305 730 } #!CB name="LJ C305 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 311 730 } #!CB name="LJ H311 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 305 733 } #!CB name="LJ C305 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 311 733 } #!CB name="LJ H311 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 305 736 } #!CB name="LJ C305 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 311 736 } #!CB name="LJ H311 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 400 15 } #!CB name="LJ C400 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 406 15 } #!CB name="LJ H406 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 400 18 } #!CB name="LJ C400 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 406 18 } #!CB name="LJ H406 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 400 21 } #!CB name="LJ C400 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 406 21 } #!CB name="LJ H406 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 400 24 } #!CB name="LJ C400 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 406 24 } #!CB name="LJ H406 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 400 27 } #!CB name="LJ C400 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 406 27 } #!CB name="LJ H406 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 400 30 } #!CB name="LJ C400 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 406 30 } #!CB name="LJ H406 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 400 33 } #!CB name="LJ C400 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 406 33 } #!CB name="LJ H406 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 400 36 } #!CB name="LJ C400 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 406 36 } #!CB name="LJ H406 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 400 115 } #!CB name="LJ C400 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 406 115 } #!CB name="LJ H406 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 400 118 } #!CB name="LJ C400 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 406 118 } #!CB name="LJ H406 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 400 121 } #!CB name="LJ C400 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 406 121 } #!CB name="LJ H406 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 400 124 } #!CB name="LJ C400 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 406 124 } #!CB name="LJ H406 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 400 127 } #!CB name="LJ C400 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 406 127 } #!CB name="LJ H406 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 400 130 } #!CB name="LJ C400 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 406 130 } #!CB name="LJ H406 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 400 133 } #!CB name="LJ C400 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 406 133 } #!CB name="LJ H406 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 400 136 } #!CB name="LJ C400 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 406 136 } #!CB name="LJ H406 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 400 215 } #!CB name="LJ C400 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 406 215 } #!CB name="LJ H406 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 400 218 } #!CB name="LJ C400 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 406 218 } #!CB name="LJ H406 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 400 221 } #!CB name="LJ C400 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 406 221 } #!CB name="LJ H406 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 400 224 } #!CB name="LJ C400 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 406 224 } #!CB name="LJ H406 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 400 227 } #!CB name="LJ C400 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 406 227 } #!CB name="LJ H406 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 400 230 } #!CB name="LJ C400 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 406 230 } #!CB name="LJ H406 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 400 233 } #!CB name="LJ C400 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 406 233 } #!CB name="LJ H406 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 400 236 } #!CB name="LJ C400 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 406 236 } #!CB name="LJ H406 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 400 315 } #!CB name="LJ C400 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 406 315 } #!CB name="LJ H406 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 400 318 } #!CB name="LJ C400 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 406 318 } #!CB name="LJ H406 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 400 321 } #!CB name="LJ C400 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 406 321 } #!CB name="LJ H406 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 400 324 } #!CB name="LJ C400 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 406 324 } #!CB name="LJ H406 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 400 327 } #!CB name="LJ C400 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 406 327 } #!CB name="LJ H406 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 400 330 } #!CB name="LJ C400 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 406 330 } #!CB name="LJ H406 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 400 333 } #!CB name="LJ C400 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 406 333 } #!CB name="LJ H406 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 400 336 } #!CB name="LJ C400 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 406 336 } #!CB name="LJ H406 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 400 415 } #!CB name="LJ C400 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 406 415 } #!CB name="LJ H406 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 400 418 } #!CB name="LJ C400 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 406 418 } #!CB name="LJ H406 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 400 421 } #!CB name="LJ C400 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 406 421 } #!CB name="LJ H406 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 400 424 } #!CB name="LJ C400 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 406 424 } #!CB name="LJ H406 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 400 427 } #!CB name="LJ C400 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 406 427 } #!CB name="LJ H406 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 400 430 } #!CB name="LJ C400 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 406 430 } #!CB name="LJ H406 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 400 433 } #!CB name="LJ C400 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 406 433 } #!CB name="LJ H406 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 400 436 } #!CB name="LJ C400 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 406 436 } #!CB name="LJ H406 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 400 515 } #!CB name="LJ C400 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 406 515 } #!CB name="LJ H406 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 400 518 } #!CB name="LJ C400 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 406 518 } #!CB name="LJ H406 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 400 521 } #!CB name="LJ C400 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 406 521 } #!CB name="LJ H406 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 400 524 } #!CB name="LJ C400 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 406 524 } #!CB name="LJ H406 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 400 527 } #!CB name="LJ C400 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 406 527 } #!CB name="LJ H406 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 400 530 } #!CB name="LJ C400 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 406 530 } #!CB name="LJ H406 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 400 533 } #!CB name="LJ C400 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 406 533 } #!CB name="LJ H406 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 400 536 } #!CB name="LJ C400 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 406 536 } #!CB name="LJ H406 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 400 615 } #!CB name="LJ C400 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 406 615 } #!CB name="LJ H406 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 400 618 } #!CB name="LJ C400 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 406 618 } #!CB name="LJ H406 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 400 621 } #!CB name="LJ C400 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 406 621 } #!CB name="LJ H406 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 400 624 } #!CB name="LJ C400 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 406 624 } #!CB name="LJ H406 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 400 627 } #!CB name="LJ C400 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 406 627 } #!CB name="LJ H406 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 400 630 } #!CB name="LJ C400 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 406 630 } #!CB name="LJ H406 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 400 633 } #!CB name="LJ C400 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 406 633 } #!CB name="LJ H406 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 400 636 } #!CB name="LJ C400 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 406 636 } #!CB name="LJ H406 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 400 715 } #!CB name="LJ C400 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 406 715 } #!CB name="LJ H406 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 400 718 } #!CB name="LJ C400 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 406 718 } #!CB name="LJ H406 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 400 721 } #!CB name="LJ C400 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 406 721 } #!CB name="LJ H406 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 400 724 } #!CB name="LJ C400 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 406 724 } #!CB name="LJ H406 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 400 727 } #!CB name="LJ C400 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 406 727 } #!CB name="LJ H406 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 400 730 } #!CB name="LJ C400 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 406 730 } #!CB name="LJ H406 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 400 733 } #!CB name="LJ C400 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 406 733 } #!CB name="LJ H406 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 400 736 } #!CB name="LJ C400 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 406 736 } #!CB name="LJ H406 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 401 15 } #!CB name="LJ C401 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 407 15 } #!CB name="LJ H407 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 401 18 } #!CB name="LJ C401 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 407 18 } #!CB name="LJ H407 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 401 21 } #!CB name="LJ C401 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 407 21 } #!CB name="LJ H407 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 401 24 } #!CB name="LJ C401 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 407 24 } #!CB name="LJ H407 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 401 27 } #!CB name="LJ C401 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 407 27 } #!CB name="LJ H407 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 401 30 } #!CB name="LJ C401 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 407 30 } #!CB name="LJ H407 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 401 33 } #!CB name="LJ C401 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 407 33 } #!CB name="LJ H407 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 401 36 } #!CB name="LJ C401 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 407 36 } #!CB name="LJ H407 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 401 115 } #!CB name="LJ C401 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 407 115 } #!CB name="LJ H407 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 401 118 } #!CB name="LJ C401 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 407 118 } #!CB name="LJ H407 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 401 121 } #!CB name="LJ C401 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 407 121 } #!CB name="LJ H407 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 401 124 } #!CB name="LJ C401 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 407 124 } #!CB name="LJ H407 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 401 127 } #!CB name="LJ C401 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 407 127 } #!CB name="LJ H407 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 401 130 } #!CB name="LJ C401 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 407 130 } #!CB name="LJ H407 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 401 133 } #!CB name="LJ C401 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 407 133 } #!CB name="LJ H407 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 401 136 } #!CB name="LJ C401 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 407 136 } #!CB name="LJ H407 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 401 215 } #!CB name="LJ C401 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 407 215 } #!CB name="LJ H407 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 401 218 } #!CB name="LJ C401 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 407 218 } #!CB name="LJ H407 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 401 221 } #!CB name="LJ C401 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 407 221 } #!CB name="LJ H407 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 401 224 } #!CB name="LJ C401 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 407 224 } #!CB name="LJ H407 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 401 227 } #!CB name="LJ C401 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 407 227 } #!CB name="LJ H407 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 401 230 } #!CB name="LJ C401 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 407 230 } #!CB name="LJ H407 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 401 233 } #!CB name="LJ C401 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 407 233 } #!CB name="LJ H407 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 401 236 } #!CB name="LJ C401 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 407 236 } #!CB name="LJ H407 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 401 315 } #!CB name="LJ C401 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 407 315 } #!CB name="LJ H407 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 401 318 } #!CB name="LJ C401 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 407 318 } #!CB name="LJ H407 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 401 321 } #!CB name="LJ C401 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 407 321 } #!CB name="LJ H407 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 401 324 } #!CB name="LJ C401 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 407 324 } #!CB name="LJ H407 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 401 327 } #!CB name="LJ C401 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 407 327 } #!CB name="LJ H407 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 401 330 } #!CB name="LJ C401 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 407 330 } #!CB name="LJ H407 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 401 333 } #!CB name="LJ C401 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 407 333 } #!CB name="LJ H407 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 401 336 } #!CB name="LJ C401 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 407 336 } #!CB name="LJ H407 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 401 415 } #!CB name="LJ C401 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 407 415 } #!CB name="LJ H407 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 401 418 } #!CB name="LJ C401 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 407 418 } #!CB name="LJ H407 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 401 421 } #!CB name="LJ C401 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 407 421 } #!CB name="LJ H407 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 401 424 } #!CB name="LJ C401 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 407 424 } #!CB name="LJ H407 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 401 427 } #!CB name="LJ C401 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 407 427 } #!CB name="LJ H407 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 401 430 } #!CB name="LJ C401 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 407 430 } #!CB name="LJ H407 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 401 433 } #!CB name="LJ C401 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 407 433 } #!CB name="LJ H407 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 401 436 } #!CB name="LJ C401 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 407 436 } #!CB name="LJ H407 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 401 515 } #!CB name="LJ C401 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 407 515 } #!CB name="LJ H407 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 401 518 } #!CB name="LJ C401 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 407 518 } #!CB name="LJ H407 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 401 521 } #!CB name="LJ C401 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 407 521 } #!CB name="LJ H407 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 401 524 } #!CB name="LJ C401 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 407 524 } #!CB name="LJ H407 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 401 527 } #!CB name="LJ C401 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 407 527 } #!CB name="LJ H407 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 401 530 } #!CB name="LJ C401 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 407 530 } #!CB name="LJ H407 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 401 533 } #!CB name="LJ C401 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 407 533 } #!CB name="LJ H407 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 401 536 } #!CB name="LJ C401 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 407 536 } #!CB name="LJ H407 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 401 615 } #!CB name="LJ C401 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 407 615 } #!CB name="LJ H407 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 401 618 } #!CB name="LJ C401 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 407 618 } #!CB name="LJ H407 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 401 621 } #!CB name="LJ C401 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 407 621 } #!CB name="LJ H407 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 401 624 } #!CB name="LJ C401 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 407 624 } #!CB name="LJ H407 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 401 627 } #!CB name="LJ C401 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 407 627 } #!CB name="LJ H407 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 401 630 } #!CB name="LJ C401 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 407 630 } #!CB name="LJ H407 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 401 633 } #!CB name="LJ C401 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 407 633 } #!CB name="LJ H407 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 401 636 } #!CB name="LJ C401 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 407 636 } #!CB name="LJ H407 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 401 715 } #!CB name="LJ C401 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 407 715 } #!CB name="LJ H407 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 401 718 } #!CB name="LJ C401 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 407 718 } #!CB name="LJ H407 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 401 721 } #!CB name="LJ C401 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 407 721 } #!CB name="LJ H407 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 401 724 } #!CB name="LJ C401 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 407 724 } #!CB name="LJ H407 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 401 727 } #!CB name="LJ C401 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 407 727 } #!CB name="LJ H407 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 401 730 } #!CB name="LJ C401 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 407 730 } #!CB name="LJ H407 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 401 733 } #!CB name="LJ C401 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 407 733 } #!CB name="LJ H407 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 401 736 } #!CB name="LJ C401 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 407 736 } #!CB name="LJ H407 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 402 15 } #!CB name="LJ C402 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 408 15 } #!CB name="LJ H408 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 402 18 } #!CB name="LJ C402 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 408 18 } #!CB name="LJ H408 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 402 21 } #!CB name="LJ C402 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 408 21 } #!CB name="LJ H408 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 402 24 } #!CB name="LJ C402 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 408 24 } #!CB name="LJ H408 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 402 27 } #!CB name="LJ C402 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 408 27 } #!CB name="LJ H408 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 402 30 } #!CB name="LJ C402 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 408 30 } #!CB name="LJ H408 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 402 33 } #!CB name="LJ C402 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 408 33 } #!CB name="LJ H408 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 402 36 } #!CB name="LJ C402 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 408 36 } #!CB name="LJ H408 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 402 115 } #!CB name="LJ C402 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 408 115 } #!CB name="LJ H408 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 402 118 } #!CB name="LJ C402 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 408 118 } #!CB name="LJ H408 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 402 121 } #!CB name="LJ C402 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 408 121 } #!CB name="LJ H408 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 402 124 } #!CB name="LJ C402 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 408 124 } #!CB name="LJ H408 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 402 127 } #!CB name="LJ C402 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 408 127 } #!CB name="LJ H408 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 402 130 } #!CB name="LJ C402 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 408 130 } #!CB name="LJ H408 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 402 133 } #!CB name="LJ C402 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 408 133 } #!CB name="LJ H408 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 402 136 } #!CB name="LJ C402 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 408 136 } #!CB name="LJ H408 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 402 215 } #!CB name="LJ C402 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 408 215 } #!CB name="LJ H408 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 402 218 } #!CB name="LJ C402 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 408 218 } #!CB name="LJ H408 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 402 221 } #!CB name="LJ C402 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 408 221 } #!CB name="LJ H408 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 402 224 } #!CB name="LJ C402 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 408 224 } #!CB name="LJ H408 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 402 227 } #!CB name="LJ C402 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 408 227 } #!CB name="LJ H408 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 402 230 } #!CB name="LJ C402 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 408 230 } #!CB name="LJ H408 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 402 233 } #!CB name="LJ C402 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 408 233 } #!CB name="LJ H408 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 402 236 } #!CB name="LJ C402 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 408 236 } #!CB name="LJ H408 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 402 315 } #!CB name="LJ C402 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 408 315 } #!CB name="LJ H408 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 402 318 } #!CB name="LJ C402 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 408 318 } #!CB name="LJ H408 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 402 321 } #!CB name="LJ C402 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 408 321 } #!CB name="LJ H408 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 402 324 } #!CB name="LJ C402 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 408 324 } #!CB name="LJ H408 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 402 327 } #!CB name="LJ C402 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 408 327 } #!CB name="LJ H408 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 402 330 } #!CB name="LJ C402 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 408 330 } #!CB name="LJ H408 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 402 333 } #!CB name="LJ C402 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 408 333 } #!CB name="LJ H408 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 402 336 } #!CB name="LJ C402 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 408 336 } #!CB name="LJ H408 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 402 415 } #!CB name="LJ C402 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 408 415 } #!CB name="LJ H408 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 402 418 } #!CB name="LJ C402 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 408 418 } #!CB name="LJ H408 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 402 421 } #!CB name="LJ C402 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 408 421 } #!CB name="LJ H408 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 402 424 } #!CB name="LJ C402 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 408 424 } #!CB name="LJ H408 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 402 427 } #!CB name="LJ C402 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 408 427 } #!CB name="LJ H408 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 402 430 } #!CB name="LJ C402 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 408 430 } #!CB name="LJ H408 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 402 433 } #!CB name="LJ C402 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 408 433 } #!CB name="LJ H408 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 402 436 } #!CB name="LJ C402 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 408 436 } #!CB name="LJ H408 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 402 515 } #!CB name="LJ C402 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 408 515 } #!CB name="LJ H408 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 402 518 } #!CB name="LJ C402 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 408 518 } #!CB name="LJ H408 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 402 521 } #!CB name="LJ C402 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 408 521 } #!CB name="LJ H408 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 402 524 } #!CB name="LJ C402 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 408 524 } #!CB name="LJ H408 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 402 527 } #!CB name="LJ C402 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 408 527 } #!CB name="LJ H408 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 402 530 } #!CB name="LJ C402 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 408 530 } #!CB name="LJ H408 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 402 533 } #!CB name="LJ C402 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 408 533 } #!CB name="LJ H408 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 402 536 } #!CB name="LJ C402 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 408 536 } #!CB name="LJ H408 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 402 615 } #!CB name="LJ C402 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 408 615 } #!CB name="LJ H408 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 402 618 } #!CB name="LJ C402 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 408 618 } #!CB name="LJ H408 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 402 621 } #!CB name="LJ C402 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 408 621 } #!CB name="LJ H408 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 402 624 } #!CB name="LJ C402 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 408 624 } #!CB name="LJ H408 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 402 627 } #!CB name="LJ C402 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 408 627 } #!CB name="LJ H408 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 402 630 } #!CB name="LJ C402 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 408 630 } #!CB name="LJ H408 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 402 633 } #!CB name="LJ C402 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 408 633 } #!CB name="LJ H408 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 402 636 } #!CB name="LJ C402 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 408 636 } #!CB name="LJ H408 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 402 715 } #!CB name="LJ C402 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 408 715 } #!CB name="LJ H408 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 402 718 } #!CB name="LJ C402 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 408 718 } #!CB name="LJ H408 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 402 721 } #!CB name="LJ C402 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 408 721 } #!CB name="LJ H408 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 402 724 } #!CB name="LJ C402 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 408 724 } #!CB name="LJ H408 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 402 727 } #!CB name="LJ C402 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 408 727 } #!CB name="LJ H408 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 402 730 } #!CB name="LJ C402 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 408 730 } #!CB name="LJ H408 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 402 733 } #!CB name="LJ C402 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 408 733 } #!CB name="LJ H408 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 402 736 } #!CB name="LJ C402 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 408 736 } #!CB name="LJ H408 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 403 15 } #!CB name="LJ C403 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 409 15 } #!CB name="LJ H409 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 403 18 } #!CB name="LJ C403 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 409 18 } #!CB name="LJ H409 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 403 21 } #!CB name="LJ C403 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 409 21 } #!CB name="LJ H409 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 403 24 } #!CB name="LJ C403 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 409 24 } #!CB name="LJ H409 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 403 27 } #!CB name="LJ C403 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 409 27 } #!CB name="LJ H409 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 403 30 } #!CB name="LJ C403 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 409 30 } #!CB name="LJ H409 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 403 33 } #!CB name="LJ C403 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 409 33 } #!CB name="LJ H409 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 403 36 } #!CB name="LJ C403 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 409 36 } #!CB name="LJ H409 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 403 115 } #!CB name="LJ C403 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 409 115 } #!CB name="LJ H409 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 403 118 } #!CB name="LJ C403 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 409 118 } #!CB name="LJ H409 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 403 121 } #!CB name="LJ C403 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 409 121 } #!CB name="LJ H409 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 403 124 } #!CB name="LJ C403 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 409 124 } #!CB name="LJ H409 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 403 127 } #!CB name="LJ C403 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 409 127 } #!CB name="LJ H409 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 403 130 } #!CB name="LJ C403 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 409 130 } #!CB name="LJ H409 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 403 133 } #!CB name="LJ C403 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 409 133 } #!CB name="LJ H409 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 403 136 } #!CB name="LJ C403 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 409 136 } #!CB name="LJ H409 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 403 215 } #!CB name="LJ C403 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 409 215 } #!CB name="LJ H409 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 403 218 } #!CB name="LJ C403 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 409 218 } #!CB name="LJ H409 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 403 221 } #!CB name="LJ C403 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 409 221 } #!CB name="LJ H409 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 403 224 } #!CB name="LJ C403 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 409 224 } #!CB name="LJ H409 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 403 227 } #!CB name="LJ C403 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 409 227 } #!CB name="LJ H409 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 403 230 } #!CB name="LJ C403 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 409 230 } #!CB name="LJ H409 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 403 233 } #!CB name="LJ C403 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 409 233 } #!CB name="LJ H409 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 403 236 } #!CB name="LJ C403 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 409 236 } #!CB name="LJ H409 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 403 315 } #!CB name="LJ C403 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 409 315 } #!CB name="LJ H409 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 403 318 } #!CB name="LJ C403 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 409 318 } #!CB name="LJ H409 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 403 321 } #!CB name="LJ C403 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 409 321 } #!CB name="LJ H409 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 403 324 } #!CB name="LJ C403 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 409 324 } #!CB name="LJ H409 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 403 327 } #!CB name="LJ C403 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 409 327 } #!CB name="LJ H409 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 403 330 } #!CB name="LJ C403 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 409 330 } #!CB name="LJ H409 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 403 333 } #!CB name="LJ C403 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 409 333 } #!CB name="LJ H409 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 403 336 } #!CB name="LJ C403 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 409 336 } #!CB name="LJ H409 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 403 415 } #!CB name="LJ C403 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 409 415 } #!CB name="LJ H409 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 403 418 } #!CB name="LJ C403 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 409 418 } #!CB name="LJ H409 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 403 421 } #!CB name="LJ C403 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 409 421 } #!CB name="LJ H409 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 403 424 } #!CB name="LJ C403 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 409 424 } #!CB name="LJ H409 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 403 427 } #!CB name="LJ C403 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 409 427 } #!CB name="LJ H409 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 403 430 } #!CB name="LJ C403 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 409 430 } #!CB name="LJ H409 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 403 433 } #!CB name="LJ C403 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 409 433 } #!CB name="LJ H409 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 403 436 } #!CB name="LJ C403 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 409 436 } #!CB name="LJ H409 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 403 515 } #!CB name="LJ C403 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 409 515 } #!CB name="LJ H409 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 403 518 } #!CB name="LJ C403 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 409 518 } #!CB name="LJ H409 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 403 521 } #!CB name="LJ C403 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 409 521 } #!CB name="LJ H409 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 403 524 } #!CB name="LJ C403 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 409 524 } #!CB name="LJ H409 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 403 527 } #!CB name="LJ C403 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 409 527 } #!CB name="LJ H409 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 403 530 } #!CB name="LJ C403 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 409 530 } #!CB name="LJ H409 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 403 533 } #!CB name="LJ C403 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 409 533 } #!CB name="LJ H409 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 403 536 } #!CB name="LJ C403 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 409 536 } #!CB name="LJ H409 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 403 615 } #!CB name="LJ C403 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 409 615 } #!CB name="LJ H409 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 403 618 } #!CB name="LJ C403 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 409 618 } #!CB name="LJ H409 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 403 621 } #!CB name="LJ C403 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 409 621 } #!CB name="LJ H409 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 403 624 } #!CB name="LJ C403 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 409 624 } #!CB name="LJ H409 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 403 627 } #!CB name="LJ C403 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 409 627 } #!CB name="LJ H409 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 403 630 } #!CB name="LJ C403 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 409 630 } #!CB name="LJ H409 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 403 633 } #!CB name="LJ C403 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 409 633 } #!CB name="LJ H409 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 403 636 } #!CB name="LJ C403 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 409 636 } #!CB name="LJ H409 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 403 715 } #!CB name="LJ C403 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 409 715 } #!CB name="LJ H409 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 403 718 } #!CB name="LJ C403 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 409 718 } #!CB name="LJ H409 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 403 721 } #!CB name="LJ C403 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 409 721 } #!CB name="LJ H409 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 403 724 } #!CB name="LJ C403 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 409 724 } #!CB name="LJ H409 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 403 727 } #!CB name="LJ C403 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 409 727 } #!CB name="LJ H409 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 403 730 } #!CB name="LJ C403 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 409 730 } #!CB name="LJ H409 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 403 733 } #!CB name="LJ C403 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 409 733 } #!CB name="LJ H409 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 403 736 } #!CB name="LJ C403 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 409 736 } #!CB name="LJ H409 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 404 15 } #!CB name="LJ C404 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 410 15 } #!CB name="LJ H410 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 404 18 } #!CB name="LJ C404 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 410 18 } #!CB name="LJ H410 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 404 21 } #!CB name="LJ C404 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 410 21 } #!CB name="LJ H410 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 404 24 } #!CB name="LJ C404 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 410 24 } #!CB name="LJ H410 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 404 27 } #!CB name="LJ C404 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 410 27 } #!CB name="LJ H410 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 404 30 } #!CB name="LJ C404 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 410 30 } #!CB name="LJ H410 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 404 33 } #!CB name="LJ C404 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 410 33 } #!CB name="LJ H410 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 404 36 } #!CB name="LJ C404 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 410 36 } #!CB name="LJ H410 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 404 115 } #!CB name="LJ C404 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 410 115 } #!CB name="LJ H410 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 404 118 } #!CB name="LJ C404 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 410 118 } #!CB name="LJ H410 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 404 121 } #!CB name="LJ C404 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 410 121 } #!CB name="LJ H410 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 404 124 } #!CB name="LJ C404 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 410 124 } #!CB name="LJ H410 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 404 127 } #!CB name="LJ C404 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 410 127 } #!CB name="LJ H410 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 404 130 } #!CB name="LJ C404 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 410 130 } #!CB name="LJ H410 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 404 133 } #!CB name="LJ C404 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 410 133 } #!CB name="LJ H410 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 404 136 } #!CB name="LJ C404 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 410 136 } #!CB name="LJ H410 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 404 215 } #!CB name="LJ C404 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 410 215 } #!CB name="LJ H410 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 404 218 } #!CB name="LJ C404 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 410 218 } #!CB name="LJ H410 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 404 221 } #!CB name="LJ C404 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 410 221 } #!CB name="LJ H410 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 404 224 } #!CB name="LJ C404 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 410 224 } #!CB name="LJ H410 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 404 227 } #!CB name="LJ C404 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 410 227 } #!CB name="LJ H410 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 404 230 } #!CB name="LJ C404 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 410 230 } #!CB name="LJ H410 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 404 233 } #!CB name="LJ C404 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 410 233 } #!CB name="LJ H410 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 404 236 } #!CB name="LJ C404 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 410 236 } #!CB name="LJ H410 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 404 315 } #!CB name="LJ C404 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 410 315 } #!CB name="LJ H410 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 404 318 } #!CB name="LJ C404 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 410 318 } #!CB name="LJ H410 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 404 321 } #!CB name="LJ C404 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 410 321 } #!CB name="LJ H410 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 404 324 } #!CB name="LJ C404 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 410 324 } #!CB name="LJ H410 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 404 327 } #!CB name="LJ C404 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 410 327 } #!CB name="LJ H410 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 404 330 } #!CB name="LJ C404 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 410 330 } #!CB name="LJ H410 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 404 333 } #!CB name="LJ C404 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 410 333 } #!CB name="LJ H410 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 404 336 } #!CB name="LJ C404 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 410 336 } #!CB name="LJ H410 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 404 415 } #!CB name="LJ C404 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 410 415 } #!CB name="LJ H410 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 404 418 } #!CB name="LJ C404 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 410 418 } #!CB name="LJ H410 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 404 421 } #!CB name="LJ C404 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 410 421 } #!CB name="LJ H410 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 404 424 } #!CB name="LJ C404 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 410 424 } #!CB name="LJ H410 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 404 427 } #!CB name="LJ C404 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 410 427 } #!CB name="LJ H410 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 404 430 } #!CB name="LJ C404 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 410 430 } #!CB name="LJ H410 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 404 433 } #!CB name="LJ C404 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 410 433 } #!CB name="LJ H410 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 404 436 } #!CB name="LJ C404 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 410 436 } #!CB name="LJ H410 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 404 515 } #!CB name="LJ C404 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 410 515 } #!CB name="LJ H410 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 404 518 } #!CB name="LJ C404 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 410 518 } #!CB name="LJ H410 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 404 521 } #!CB name="LJ C404 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 410 521 } #!CB name="LJ H410 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 404 524 } #!CB name="LJ C404 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 410 524 } #!CB name="LJ H410 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 404 527 } #!CB name="LJ C404 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 410 527 } #!CB name="LJ H410 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 404 530 } #!CB name="LJ C404 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 410 530 } #!CB name="LJ H410 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 404 533 } #!CB name="LJ C404 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 410 533 } #!CB name="LJ H410 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 404 536 } #!CB name="LJ C404 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 410 536 } #!CB name="LJ H410 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 404 615 } #!CB name="LJ C404 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 410 615 } #!CB name="LJ H410 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 404 618 } #!CB name="LJ C404 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 410 618 } #!CB name="LJ H410 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 404 621 } #!CB name="LJ C404 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 410 621 } #!CB name="LJ H410 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 404 624 } #!CB name="LJ C404 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 410 624 } #!CB name="LJ H410 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 404 627 } #!CB name="LJ C404 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 410 627 } #!CB name="LJ H410 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 404 630 } #!CB name="LJ C404 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 410 630 } #!CB name="LJ H410 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 404 633 } #!CB name="LJ C404 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 410 633 } #!CB name="LJ H410 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 404 636 } #!CB name="LJ C404 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 410 636 } #!CB name="LJ H410 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 404 715 } #!CB name="LJ C404 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 410 715 } #!CB name="LJ H410 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 404 718 } #!CB name="LJ C404 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 410 718 } #!CB name="LJ H410 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 404 721 } #!CB name="LJ C404 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 410 721 } #!CB name="LJ H410 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 404 724 } #!CB name="LJ C404 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 410 724 } #!CB name="LJ H410 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 404 727 } #!CB name="LJ C404 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 410 727 } #!CB name="LJ H410 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 404 730 } #!CB name="LJ C404 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 410 730 } #!CB name="LJ H410 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 404 733 } #!CB name="LJ C404 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 410 733 } #!CB name="LJ H410 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 404 736 } #!CB name="LJ C404 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 410 736 } #!CB name="LJ H410 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 405 15 } #!CB name="LJ C405 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 411 15 } #!CB name="LJ H411 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 405 18 } #!CB name="LJ C405 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 411 18 } #!CB name="LJ H411 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 405 21 } #!CB name="LJ C405 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 411 21 } #!CB name="LJ H411 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 405 24 } #!CB name="LJ C405 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 411 24 } #!CB name="LJ H411 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 405 27 } #!CB name="LJ C405 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 411 27 } #!CB name="LJ H411 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 405 30 } #!CB name="LJ C405 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 411 30 } #!CB name="LJ H411 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 405 33 } #!CB name="LJ C405 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 411 33 } #!CB name="LJ H411 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 405 36 } #!CB name="LJ C405 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 411 36 } #!CB name="LJ H411 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 405 115 } #!CB name="LJ C405 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 411 115 } #!CB name="LJ H411 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 405 118 } #!CB name="LJ C405 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 411 118 } #!CB name="LJ H411 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 405 121 } #!CB name="LJ C405 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 411 121 } #!CB name="LJ H411 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 405 124 } #!CB name="LJ C405 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 411 124 } #!CB name="LJ H411 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 405 127 } #!CB name="LJ C405 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 411 127 } #!CB name="LJ H411 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 405 130 } #!CB name="LJ C405 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 411 130 } #!CB name="LJ H411 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 405 133 } #!CB name="LJ C405 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 411 133 } #!CB name="LJ H411 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 405 136 } #!CB name="LJ C405 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 411 136 } #!CB name="LJ H411 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 405 215 } #!CB name="LJ C405 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 411 215 } #!CB name="LJ H411 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 405 218 } #!CB name="LJ C405 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 411 218 } #!CB name="LJ H411 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 405 221 } #!CB name="LJ C405 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 411 221 } #!CB name="LJ H411 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 405 224 } #!CB name="LJ C405 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 411 224 } #!CB name="LJ H411 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 405 227 } #!CB name="LJ C405 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 411 227 } #!CB name="LJ H411 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 405 230 } #!CB name="LJ C405 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 411 230 } #!CB name="LJ H411 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 405 233 } #!CB name="LJ C405 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 411 233 } #!CB name="LJ H411 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 405 236 } #!CB name="LJ C405 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 411 236 } #!CB name="LJ H411 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 405 315 } #!CB name="LJ C405 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 411 315 } #!CB name="LJ H411 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 405 318 } #!CB name="LJ C405 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 411 318 } #!CB name="LJ H411 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 405 321 } #!CB name="LJ C405 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 411 321 } #!CB name="LJ H411 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 405 324 } #!CB name="LJ C405 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 411 324 } #!CB name="LJ H411 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 405 327 } #!CB name="LJ C405 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 411 327 } #!CB name="LJ H411 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 405 330 } #!CB name="LJ C405 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 411 330 } #!CB name="LJ H411 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 405 333 } #!CB name="LJ C405 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 411 333 } #!CB name="LJ H411 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 405 336 } #!CB name="LJ C405 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 411 336 } #!CB name="LJ H411 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 405 415 } #!CB name="LJ C405 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 411 415 } #!CB name="LJ H411 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 405 418 } #!CB name="LJ C405 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 411 418 } #!CB name="LJ H411 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 405 421 } #!CB name="LJ C405 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 411 421 } #!CB name="LJ H411 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 405 424 } #!CB name="LJ C405 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 411 424 } #!CB name="LJ H411 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 405 427 } #!CB name="LJ C405 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 411 427 } #!CB name="LJ H411 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 405 430 } #!CB name="LJ C405 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 411 430 } #!CB name="LJ H411 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 405 433 } #!CB name="LJ C405 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 411 433 } #!CB name="LJ H411 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 405 436 } #!CB name="LJ C405 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 411 436 } #!CB name="LJ H411 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 405 515 } #!CB name="LJ C405 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 411 515 } #!CB name="LJ H411 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 405 518 } #!CB name="LJ C405 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 411 518 } #!CB name="LJ H411 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 405 521 } #!CB name="LJ C405 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 411 521 } #!CB name="LJ H411 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 405 524 } #!CB name="LJ C405 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 411 524 } #!CB name="LJ H411 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 405 527 } #!CB name="LJ C405 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 411 527 } #!CB name="LJ H411 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 405 530 } #!CB name="LJ C405 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 411 530 } #!CB name="LJ H411 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 405 533 } #!CB name="LJ C405 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 411 533 } #!CB name="LJ H411 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 405 536 } #!CB name="LJ C405 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 411 536 } #!CB name="LJ H411 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 405 615 } #!CB name="LJ C405 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 411 615 } #!CB name="LJ H411 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 405 618 } #!CB name="LJ C405 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 411 618 } #!CB name="LJ H411 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 405 621 } #!CB name="LJ C405 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 411 621 } #!CB name="LJ H411 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 405 624 } #!CB name="LJ C405 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 411 624 } #!CB name="LJ H411 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 405 627 } #!CB name="LJ C405 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 411 627 } #!CB name="LJ H411 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 405 630 } #!CB name="LJ C405 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 411 630 } #!CB name="LJ H411 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 405 633 } #!CB name="LJ C405 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 411 633 } #!CB name="LJ H411 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 405 636 } #!CB name="LJ C405 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 411 636 } #!CB name="LJ H411 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 405 715 } #!CB name="LJ C405 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 411 715 } #!CB name="LJ H411 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 405 718 } #!CB name="LJ C405 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 411 718 } #!CB name="LJ H411 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 405 721 } #!CB name="LJ C405 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 411 721 } #!CB name="LJ H411 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 405 724 } #!CB name="LJ C405 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 411 724 } #!CB name="LJ H411 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 405 727 } #!CB name="LJ C405 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 411 727 } #!CB name="LJ H411 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 405 730 } #!CB name="LJ C405 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 411 730 } #!CB name="LJ H411 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 405 733 } #!CB name="LJ C405 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 411 733 } #!CB name="LJ H411 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 405 736 } #!CB name="LJ C405 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 411 736 } #!CB name="LJ H411 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 500 15 } #!CB name="LJ C500 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 506 15 } #!CB name="LJ H506 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 500 18 } #!CB name="LJ C500 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 506 18 } #!CB name="LJ H506 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 500 21 } #!CB name="LJ C500 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 506 21 } #!CB name="LJ H506 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 500 24 } #!CB name="LJ C500 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 506 24 } #!CB name="LJ H506 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 500 27 } #!CB name="LJ C500 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 506 27 } #!CB name="LJ H506 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 500 30 } #!CB name="LJ C500 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 506 30 } #!CB name="LJ H506 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 500 33 } #!CB name="LJ C500 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 506 33 } #!CB name="LJ H506 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 500 36 } #!CB name="LJ C500 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 506 36 } #!CB name="LJ H506 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 500 115 } #!CB name="LJ C500 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 506 115 } #!CB name="LJ H506 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 500 118 } #!CB name="LJ C500 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 506 118 } #!CB name="LJ H506 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 500 121 } #!CB name="LJ C500 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 506 121 } #!CB name="LJ H506 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 500 124 } #!CB name="LJ C500 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 506 124 } #!CB name="LJ H506 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 500 127 } #!CB name="LJ C500 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 506 127 } #!CB name="LJ H506 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 500 130 } #!CB name="LJ C500 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 506 130 } #!CB name="LJ H506 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 500 133 } #!CB name="LJ C500 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 506 133 } #!CB name="LJ H506 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 500 136 } #!CB name="LJ C500 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 506 136 } #!CB name="LJ H506 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 500 215 } #!CB name="LJ C500 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 506 215 } #!CB name="LJ H506 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 500 218 } #!CB name="LJ C500 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 506 218 } #!CB name="LJ H506 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 500 221 } #!CB name="LJ C500 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 506 221 } #!CB name="LJ H506 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 500 224 } #!CB name="LJ C500 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 506 224 } #!CB name="LJ H506 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 500 227 } #!CB name="LJ C500 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 506 227 } #!CB name="LJ H506 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 500 230 } #!CB name="LJ C500 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 506 230 } #!CB name="LJ H506 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 500 233 } #!CB name="LJ C500 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 506 233 } #!CB name="LJ H506 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 500 236 } #!CB name="LJ C500 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 506 236 } #!CB name="LJ H506 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 500 315 } #!CB name="LJ C500 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 506 315 } #!CB name="LJ H506 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 500 318 } #!CB name="LJ C500 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 506 318 } #!CB name="LJ H506 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 500 321 } #!CB name="LJ C500 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 506 321 } #!CB name="LJ H506 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 500 324 } #!CB name="LJ C500 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 506 324 } #!CB name="LJ H506 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 500 327 } #!CB name="LJ C500 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 506 327 } #!CB name="LJ H506 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 500 330 } #!CB name="LJ C500 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 506 330 } #!CB name="LJ H506 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 500 333 } #!CB name="LJ C500 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 506 333 } #!CB name="LJ H506 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 500 336 } #!CB name="LJ C500 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 506 336 } #!CB name="LJ H506 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 500 415 } #!CB name="LJ C500 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 506 415 } #!CB name="LJ H506 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 500 418 } #!CB name="LJ C500 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 506 418 } #!CB name="LJ H506 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 500 421 } #!CB name="LJ C500 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 506 421 } #!CB name="LJ H506 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 500 424 } #!CB name="LJ C500 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 506 424 } #!CB name="LJ H506 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 500 427 } #!CB name="LJ C500 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 506 427 } #!CB name="LJ H506 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 500 430 } #!CB name="LJ C500 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 506 430 } #!CB name="LJ H506 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 500 433 } #!CB name="LJ C500 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 506 433 } #!CB name="LJ H506 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 500 436 } #!CB name="LJ C500 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 506 436 } #!CB name="LJ H506 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 500 515 } #!CB name="LJ C500 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 506 515 } #!CB name="LJ H506 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 500 518 } #!CB name="LJ C500 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 506 518 } #!CB name="LJ H506 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 500 521 } #!CB name="LJ C500 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 506 521 } #!CB name="LJ H506 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 500 524 } #!CB name="LJ C500 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 506 524 } #!CB name="LJ H506 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 500 527 } #!CB name="LJ C500 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 506 527 } #!CB name="LJ H506 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 500 530 } #!CB name="LJ C500 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 506 530 } #!CB name="LJ H506 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 500 533 } #!CB name="LJ C500 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 506 533 } #!CB name="LJ H506 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 500 536 } #!CB name="LJ C500 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 506 536 } #!CB name="LJ H506 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 500 615 } #!CB name="LJ C500 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 506 615 } #!CB name="LJ H506 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 500 618 } #!CB name="LJ C500 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 506 618 } #!CB name="LJ H506 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 500 621 } #!CB name="LJ C500 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 506 621 } #!CB name="LJ H506 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 500 624 } #!CB name="LJ C500 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 506 624 } #!CB name="LJ H506 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 500 627 } #!CB name="LJ C500 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 506 627 } #!CB name="LJ H506 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 500 630 } #!CB name="LJ C500 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 506 630 } #!CB name="LJ H506 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 500 633 } #!CB name="LJ C500 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 506 633 } #!CB name="LJ H506 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 500 636 } #!CB name="LJ C500 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 506 636 } #!CB name="LJ H506 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 500 715 } #!CB name="LJ C500 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 506 715 } #!CB name="LJ H506 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 500 718 } #!CB name="LJ C500 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 506 718 } #!CB name="LJ H506 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 500 721 } #!CB name="LJ C500 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 506 721 } #!CB name="LJ H506 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 500 724 } #!CB name="LJ C500 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 506 724 } #!CB name="LJ H506 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 500 727 } #!CB name="LJ C500 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 506 727 } #!CB name="LJ H506 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 500 730 } #!CB name="LJ C500 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 506 730 } #!CB name="LJ H506 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 500 733 } #!CB name="LJ C500 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 506 733 } #!CB name="LJ H506 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 500 736 } #!CB name="LJ C500 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 506 736 } #!CB name="LJ H506 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 501 15 } #!CB name="LJ C501 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 507 15 } #!CB name="LJ H507 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 501 18 } #!CB name="LJ C501 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 507 18 } #!CB name="LJ H507 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 501 21 } #!CB name="LJ C501 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 507 21 } #!CB name="LJ H507 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 501 24 } #!CB name="LJ C501 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 507 24 } #!CB name="LJ H507 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 501 27 } #!CB name="LJ C501 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 507 27 } #!CB name="LJ H507 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 501 30 } #!CB name="LJ C501 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 507 30 } #!CB name="LJ H507 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 501 33 } #!CB name="LJ C501 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 507 33 } #!CB name="LJ H507 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 501 36 } #!CB name="LJ C501 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 507 36 } #!CB name="LJ H507 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 501 115 } #!CB name="LJ C501 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 507 115 } #!CB name="LJ H507 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 501 118 } #!CB name="LJ C501 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 507 118 } #!CB name="LJ H507 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 501 121 } #!CB name="LJ C501 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 507 121 } #!CB name="LJ H507 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 501 124 } #!CB name="LJ C501 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 507 124 } #!CB name="LJ H507 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 501 127 } #!CB name="LJ C501 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 507 127 } #!CB name="LJ H507 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 501 130 } #!CB name="LJ C501 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 507 130 } #!CB name="LJ H507 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 501 133 } #!CB name="LJ C501 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 507 133 } #!CB name="LJ H507 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 501 136 } #!CB name="LJ C501 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 507 136 } #!CB name="LJ H507 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 501 215 } #!CB name="LJ C501 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 507 215 } #!CB name="LJ H507 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 501 218 } #!CB name="LJ C501 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 507 218 } #!CB name="LJ H507 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 501 221 } #!CB name="LJ C501 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 507 221 } #!CB name="LJ H507 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 501 224 } #!CB name="LJ C501 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 507 224 } #!CB name="LJ H507 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 501 227 } #!CB name="LJ C501 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 507 227 } #!CB name="LJ H507 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 501 230 } #!CB name="LJ C501 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 507 230 } #!CB name="LJ H507 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 501 233 } #!CB name="LJ C501 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 507 233 } #!CB name="LJ H507 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 501 236 } #!CB name="LJ C501 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 507 236 } #!CB name="LJ H507 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 501 315 } #!CB name="LJ C501 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 507 315 } #!CB name="LJ H507 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 501 318 } #!CB name="LJ C501 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 507 318 } #!CB name="LJ H507 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 501 321 } #!CB name="LJ C501 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 507 321 } #!CB name="LJ H507 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 501 324 } #!CB name="LJ C501 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 507 324 } #!CB name="LJ H507 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 501 327 } #!CB name="LJ C501 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 507 327 } #!CB name="LJ H507 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 501 330 } #!CB name="LJ C501 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 507 330 } #!CB name="LJ H507 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 501 333 } #!CB name="LJ C501 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 507 333 } #!CB name="LJ H507 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 501 336 } #!CB name="LJ C501 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 507 336 } #!CB name="LJ H507 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 501 415 } #!CB name="LJ C501 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 507 415 } #!CB name="LJ H507 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 501 418 } #!CB name="LJ C501 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 507 418 } #!CB name="LJ H507 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 501 421 } #!CB name="LJ C501 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 507 421 } #!CB name="LJ H507 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 501 424 } #!CB name="LJ C501 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 507 424 } #!CB name="LJ H507 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 501 427 } #!CB name="LJ C501 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 507 427 } #!CB name="LJ H507 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 501 430 } #!CB name="LJ C501 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 507 430 } #!CB name="LJ H507 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 501 433 } #!CB name="LJ C501 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 507 433 } #!CB name="LJ H507 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 501 436 } #!CB name="LJ C501 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 507 436 } #!CB name="LJ H507 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 501 515 } #!CB name="LJ C501 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 507 515 } #!CB name="LJ H507 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 501 518 } #!CB name="LJ C501 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 507 518 } #!CB name="LJ H507 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 501 521 } #!CB name="LJ C501 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 507 521 } #!CB name="LJ H507 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 501 524 } #!CB name="LJ C501 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 507 524 } #!CB name="LJ H507 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 501 527 } #!CB name="LJ C501 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 507 527 } #!CB name="LJ H507 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 501 530 } #!CB name="LJ C501 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 507 530 } #!CB name="LJ H507 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 501 533 } #!CB name="LJ C501 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 507 533 } #!CB name="LJ H507 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 501 536 } #!CB name="LJ C501 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 507 536 } #!CB name="LJ H507 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 501 615 } #!CB name="LJ C501 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 507 615 } #!CB name="LJ H507 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 501 618 } #!CB name="LJ C501 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 507 618 } #!CB name="LJ H507 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 501 621 } #!CB name="LJ C501 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 507 621 } #!CB name="LJ H507 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 501 624 } #!CB name="LJ C501 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 507 624 } #!CB name="LJ H507 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 501 627 } #!CB name="LJ C501 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 507 627 } #!CB name="LJ H507 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 501 630 } #!CB name="LJ C501 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 507 630 } #!CB name="LJ H507 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 501 633 } #!CB name="LJ C501 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 507 633 } #!CB name="LJ H507 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 501 636 } #!CB name="LJ C501 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 507 636 } #!CB name="LJ H507 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 501 715 } #!CB name="LJ C501 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 507 715 } #!CB name="LJ H507 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 501 718 } #!CB name="LJ C501 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 507 718 } #!CB name="LJ H507 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 501 721 } #!CB name="LJ C501 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 507 721 } #!CB name="LJ H507 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 501 724 } #!CB name="LJ C501 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 507 724 } #!CB name="LJ H507 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 501 727 } #!CB name="LJ C501 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 507 727 } #!CB name="LJ H507 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 501 730 } #!CB name="LJ C501 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 507 730 } #!CB name="LJ H507 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 501 733 } #!CB name="LJ C501 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 507 733 } #!CB name="LJ H507 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 501 736 } #!CB name="LJ C501 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 507 736 } #!CB name="LJ H507 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 502 15 } #!CB name="LJ C502 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 508 15 } #!CB name="LJ H508 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 502 18 } #!CB name="LJ C502 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 508 18 } #!CB name="LJ H508 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 502 21 } #!CB name="LJ C502 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 508 21 } #!CB name="LJ H508 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 502 24 } #!CB name="LJ C502 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 508 24 } #!CB name="LJ H508 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 502 27 } #!CB name="LJ C502 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 508 27 } #!CB name="LJ H508 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 502 30 } #!CB name="LJ C502 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 508 30 } #!CB name="LJ H508 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 502 33 } #!CB name="LJ C502 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 508 33 } #!CB name="LJ H508 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 502 36 } #!CB name="LJ C502 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 508 36 } #!CB name="LJ H508 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 502 115 } #!CB name="LJ C502 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 508 115 } #!CB name="LJ H508 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 502 118 } #!CB name="LJ C502 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 508 118 } #!CB name="LJ H508 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 502 121 } #!CB name="LJ C502 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 508 121 } #!CB name="LJ H508 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 502 124 } #!CB name="LJ C502 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 508 124 } #!CB name="LJ H508 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 502 127 } #!CB name="LJ C502 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 508 127 } #!CB name="LJ H508 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 502 130 } #!CB name="LJ C502 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 508 130 } #!CB name="LJ H508 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 502 133 } #!CB name="LJ C502 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 508 133 } #!CB name="LJ H508 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 502 136 } #!CB name="LJ C502 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 508 136 } #!CB name="LJ H508 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 502 215 } #!CB name="LJ C502 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 508 215 } #!CB name="LJ H508 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 502 218 } #!CB name="LJ C502 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 508 218 } #!CB name="LJ H508 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 502 221 } #!CB name="LJ C502 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 508 221 } #!CB name="LJ H508 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 502 224 } #!CB name="LJ C502 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 508 224 } #!CB name="LJ H508 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 502 227 } #!CB name="LJ C502 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 508 227 } #!CB name="LJ H508 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 502 230 } #!CB name="LJ C502 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 508 230 } #!CB name="LJ H508 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 502 233 } #!CB name="LJ C502 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 508 233 } #!CB name="LJ H508 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 502 236 } #!CB name="LJ C502 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 508 236 } #!CB name="LJ H508 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 502 315 } #!CB name="LJ C502 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 508 315 } #!CB name="LJ H508 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 502 318 } #!CB name="LJ C502 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 508 318 } #!CB name="LJ H508 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 502 321 } #!CB name="LJ C502 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 508 321 } #!CB name="LJ H508 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 502 324 } #!CB name="LJ C502 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 508 324 } #!CB name="LJ H508 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 502 327 } #!CB name="LJ C502 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 508 327 } #!CB name="LJ H508 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 502 330 } #!CB name="LJ C502 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 508 330 } #!CB name="LJ H508 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 502 333 } #!CB name="LJ C502 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 508 333 } #!CB name="LJ H508 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 502 336 } #!CB name="LJ C502 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 508 336 } #!CB name="LJ H508 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 502 415 } #!CB name="LJ C502 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 508 415 } #!CB name="LJ H508 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 502 418 } #!CB name="LJ C502 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 508 418 } #!CB name="LJ H508 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 502 421 } #!CB name="LJ C502 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 508 421 } #!CB name="LJ H508 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 502 424 } #!CB name="LJ C502 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 508 424 } #!CB name="LJ H508 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 502 427 } #!CB name="LJ C502 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 508 427 } #!CB name="LJ H508 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 502 430 } #!CB name="LJ C502 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 508 430 } #!CB name="LJ H508 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 502 433 } #!CB name="LJ C502 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 508 433 } #!CB name="LJ H508 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 502 436 } #!CB name="LJ C502 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 508 436 } #!CB name="LJ H508 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 502 515 } #!CB name="LJ C502 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 508 515 } #!CB name="LJ H508 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 502 518 } #!CB name="LJ C502 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 508 518 } #!CB name="LJ H508 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 502 521 } #!CB name="LJ C502 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 508 521 } #!CB name="LJ H508 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 502 524 } #!CB name="LJ C502 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 508 524 } #!CB name="LJ H508 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 502 527 } #!CB name="LJ C502 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 508 527 } #!CB name="LJ H508 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 502 530 } #!CB name="LJ C502 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 508 530 } #!CB name="LJ H508 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 502 533 } #!CB name="LJ C502 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 508 533 } #!CB name="LJ H508 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 502 536 } #!CB name="LJ C502 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 508 536 } #!CB name="LJ H508 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 502 615 } #!CB name="LJ C502 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 508 615 } #!CB name="LJ H508 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 502 618 } #!CB name="LJ C502 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 508 618 } #!CB name="LJ H508 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 502 621 } #!CB name="LJ C502 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 508 621 } #!CB name="LJ H508 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 502 624 } #!CB name="LJ C502 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 508 624 } #!CB name="LJ H508 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 502 627 } #!CB name="LJ C502 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 508 627 } #!CB name="LJ H508 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 502 630 } #!CB name="LJ C502 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 508 630 } #!CB name="LJ H508 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 502 633 } #!CB name="LJ C502 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 508 633 } #!CB name="LJ H508 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 502 636 } #!CB name="LJ C502 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 508 636 } #!CB name="LJ H508 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 502 715 } #!CB name="LJ C502 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 508 715 } #!CB name="LJ H508 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 502 718 } #!CB name="LJ C502 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 508 718 } #!CB name="LJ H508 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 502 721 } #!CB name="LJ C502 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 508 721 } #!CB name="LJ H508 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 502 724 } #!CB name="LJ C502 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 508 724 } #!CB name="LJ H508 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 502 727 } #!CB name="LJ C502 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 508 727 } #!CB name="LJ H508 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 502 730 } #!CB name="LJ C502 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 508 730 } #!CB name="LJ H508 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 502 733 } #!CB name="LJ C502 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 508 733 } #!CB name="LJ H508 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 502 736 } #!CB name="LJ C502 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 508 736 } #!CB name="LJ H508 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 503 15 } #!CB name="LJ C503 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 509 15 } #!CB name="LJ H509 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 503 18 } #!CB name="LJ C503 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 509 18 } #!CB name="LJ H509 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 503 21 } #!CB name="LJ C503 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 509 21 } #!CB name="LJ H509 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 503 24 } #!CB name="LJ C503 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 509 24 } #!CB name="LJ H509 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 503 27 } #!CB name="LJ C503 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 509 27 } #!CB name="LJ H509 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 503 30 } #!CB name="LJ C503 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 509 30 } #!CB name="LJ H509 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 503 33 } #!CB name="LJ C503 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 509 33 } #!CB name="LJ H509 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 503 36 } #!CB name="LJ C503 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 509 36 } #!CB name="LJ H509 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 503 115 } #!CB name="LJ C503 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 509 115 } #!CB name="LJ H509 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 503 118 } #!CB name="LJ C503 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 509 118 } #!CB name="LJ H509 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 503 121 } #!CB name="LJ C503 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 509 121 } #!CB name="LJ H509 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 503 124 } #!CB name="LJ C503 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 509 124 } #!CB name="LJ H509 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 503 127 } #!CB name="LJ C503 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 509 127 } #!CB name="LJ H509 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 503 130 } #!CB name="LJ C503 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 509 130 } #!CB name="LJ H509 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 503 133 } #!CB name="LJ C503 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 509 133 } #!CB name="LJ H509 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 503 136 } #!CB name="LJ C503 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 509 136 } #!CB name="LJ H509 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 503 215 } #!CB name="LJ C503 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 509 215 } #!CB name="LJ H509 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 503 218 } #!CB name="LJ C503 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 509 218 } #!CB name="LJ H509 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 503 221 } #!CB name="LJ C503 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 509 221 } #!CB name="LJ H509 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 503 224 } #!CB name="LJ C503 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 509 224 } #!CB name="LJ H509 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 503 227 } #!CB name="LJ C503 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 509 227 } #!CB name="LJ H509 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 503 230 } #!CB name="LJ C503 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 509 230 } #!CB name="LJ H509 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 503 233 } #!CB name="LJ C503 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 509 233 } #!CB name="LJ H509 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 503 236 } #!CB name="LJ C503 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 509 236 } #!CB name="LJ H509 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 503 315 } #!CB name="LJ C503 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 509 315 } #!CB name="LJ H509 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 503 318 } #!CB name="LJ C503 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 509 318 } #!CB name="LJ H509 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 503 321 } #!CB name="LJ C503 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 509 321 } #!CB name="LJ H509 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 503 324 } #!CB name="LJ C503 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 509 324 } #!CB name="LJ H509 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 503 327 } #!CB name="LJ C503 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 509 327 } #!CB name="LJ H509 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 503 330 } #!CB name="LJ C503 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 509 330 } #!CB name="LJ H509 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 503 333 } #!CB name="LJ C503 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 509 333 } #!CB name="LJ H509 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 503 336 } #!CB name="LJ C503 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 509 336 } #!CB name="LJ H509 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 503 415 } #!CB name="LJ C503 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 509 415 } #!CB name="LJ H509 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 503 418 } #!CB name="LJ C503 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 509 418 } #!CB name="LJ H509 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 503 421 } #!CB name="LJ C503 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 509 421 } #!CB name="LJ H509 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 503 424 } #!CB name="LJ C503 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 509 424 } #!CB name="LJ H509 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 503 427 } #!CB name="LJ C503 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 509 427 } #!CB name="LJ H509 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 503 430 } #!CB name="LJ C503 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 509 430 } #!CB name="LJ H509 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 503 433 } #!CB name="LJ C503 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 509 433 } #!CB name="LJ H509 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 503 436 } #!CB name="LJ C503 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 509 436 } #!CB name="LJ H509 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 503 515 } #!CB name="LJ C503 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 509 515 } #!CB name="LJ H509 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 503 518 } #!CB name="LJ C503 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 509 518 } #!CB name="LJ H509 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 503 521 } #!CB name="LJ C503 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 509 521 } #!CB name="LJ H509 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 503 524 } #!CB name="LJ C503 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 509 524 } #!CB name="LJ H509 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 503 527 } #!CB name="LJ C503 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 509 527 } #!CB name="LJ H509 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 503 530 } #!CB name="LJ C503 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 509 530 } #!CB name="LJ H509 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 503 533 } #!CB name="LJ C503 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 509 533 } #!CB name="LJ H509 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 503 536 } #!CB name="LJ C503 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 509 536 } #!CB name="LJ H509 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 503 615 } #!CB name="LJ C503 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 509 615 } #!CB name="LJ H509 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 503 618 } #!CB name="LJ C503 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 509 618 } #!CB name="LJ H509 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 503 621 } #!CB name="LJ C503 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 509 621 } #!CB name="LJ H509 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 503 624 } #!CB name="LJ C503 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 509 624 } #!CB name="LJ H509 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 503 627 } #!CB name="LJ C503 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 509 627 } #!CB name="LJ H509 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 503 630 } #!CB name="LJ C503 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 509 630 } #!CB name="LJ H509 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 503 633 } #!CB name="LJ C503 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 509 633 } #!CB name="LJ H509 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 503 636 } #!CB name="LJ C503 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 509 636 } #!CB name="LJ H509 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 503 715 } #!CB name="LJ C503 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 509 715 } #!CB name="LJ H509 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 503 718 } #!CB name="LJ C503 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 509 718 } #!CB name="LJ H509 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 503 721 } #!CB name="LJ C503 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 509 721 } #!CB name="LJ H509 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 503 724 } #!CB name="LJ C503 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 509 724 } #!CB name="LJ H509 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 503 727 } #!CB name="LJ C503 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 509 727 } #!CB name="LJ H509 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 503 730 } #!CB name="LJ C503 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 509 730 } #!CB name="LJ H509 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 503 733 } #!CB name="LJ C503 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 509 733 } #!CB name="LJ H509 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 503 736 } #!CB name="LJ C503 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 509 736 } #!CB name="LJ H509 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 504 15 } #!CB name="LJ C504 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 510 15 } #!CB name="LJ H510 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 504 18 } #!CB name="LJ C504 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 510 18 } #!CB name="LJ H510 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 504 21 } #!CB name="LJ C504 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 510 21 } #!CB name="LJ H510 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 504 24 } #!CB name="LJ C504 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 510 24 } #!CB name="LJ H510 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 504 27 } #!CB name="LJ C504 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 510 27 } #!CB name="LJ H510 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 504 30 } #!CB name="LJ C504 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 510 30 } #!CB name="LJ H510 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 504 33 } #!CB name="LJ C504 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 510 33 } #!CB name="LJ H510 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 504 36 } #!CB name="LJ C504 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 510 36 } #!CB name="LJ H510 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 504 115 } #!CB name="LJ C504 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 510 115 } #!CB name="LJ H510 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 504 118 } #!CB name="LJ C504 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 510 118 } #!CB name="LJ H510 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 504 121 } #!CB name="LJ C504 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 510 121 } #!CB name="LJ H510 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 504 124 } #!CB name="LJ C504 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 510 124 } #!CB name="LJ H510 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 504 127 } #!CB name="LJ C504 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 510 127 } #!CB name="LJ H510 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 504 130 } #!CB name="LJ C504 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 510 130 } #!CB name="LJ H510 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 504 133 } #!CB name="LJ C504 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 510 133 } #!CB name="LJ H510 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 504 136 } #!CB name="LJ C504 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 510 136 } #!CB name="LJ H510 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 504 215 } #!CB name="LJ C504 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 510 215 } #!CB name="LJ H510 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 504 218 } #!CB name="LJ C504 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 510 218 } #!CB name="LJ H510 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 504 221 } #!CB name="LJ C504 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 510 221 } #!CB name="LJ H510 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 504 224 } #!CB name="LJ C504 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 510 224 } #!CB name="LJ H510 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 504 227 } #!CB name="LJ C504 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 510 227 } #!CB name="LJ H510 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 504 230 } #!CB name="LJ C504 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 510 230 } #!CB name="LJ H510 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 504 233 } #!CB name="LJ C504 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 510 233 } #!CB name="LJ H510 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 504 236 } #!CB name="LJ C504 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 510 236 } #!CB name="LJ H510 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 504 315 } #!CB name="LJ C504 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 510 315 } #!CB name="LJ H510 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 504 318 } #!CB name="LJ C504 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 510 318 } #!CB name="LJ H510 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 504 321 } #!CB name="LJ C504 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 510 321 } #!CB name="LJ H510 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 504 324 } #!CB name="LJ C504 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 510 324 } #!CB name="LJ H510 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 504 327 } #!CB name="LJ C504 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 510 327 } #!CB name="LJ H510 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 504 330 } #!CB name="LJ C504 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 510 330 } #!CB name="LJ H510 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 504 333 } #!CB name="LJ C504 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 510 333 } #!CB name="LJ H510 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 504 336 } #!CB name="LJ C504 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 510 336 } #!CB name="LJ H510 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 504 415 } #!CB name="LJ C504 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 510 415 } #!CB name="LJ H510 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 504 418 } #!CB name="LJ C504 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 510 418 } #!CB name="LJ H510 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 504 421 } #!CB name="LJ C504 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 510 421 } #!CB name="LJ H510 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 504 424 } #!CB name="LJ C504 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 510 424 } #!CB name="LJ H510 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 504 427 } #!CB name="LJ C504 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 510 427 } #!CB name="LJ H510 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 504 430 } #!CB name="LJ C504 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 510 430 } #!CB name="LJ H510 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 504 433 } #!CB name="LJ C504 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 510 433 } #!CB name="LJ H510 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 504 436 } #!CB name="LJ C504 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 510 436 } #!CB name="LJ H510 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 504 515 } #!CB name="LJ C504 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 510 515 } #!CB name="LJ H510 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 504 518 } #!CB name="LJ C504 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 510 518 } #!CB name="LJ H510 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 504 521 } #!CB name="LJ C504 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 510 521 } #!CB name="LJ H510 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 504 524 } #!CB name="LJ C504 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 510 524 } #!CB name="LJ H510 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 504 527 } #!CB name="LJ C504 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 510 527 } #!CB name="LJ H510 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 504 530 } #!CB name="LJ C504 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 510 530 } #!CB name="LJ H510 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 504 533 } #!CB name="LJ C504 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 510 533 } #!CB name="LJ H510 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 504 536 } #!CB name="LJ C504 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 510 536 } #!CB name="LJ H510 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 504 615 } #!CB name="LJ C504 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 510 615 } #!CB name="LJ H510 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 504 618 } #!CB name="LJ C504 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 510 618 } #!CB name="LJ H510 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 504 621 } #!CB name="LJ C504 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 510 621 } #!CB name="LJ H510 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 504 624 } #!CB name="LJ C504 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 510 624 } #!CB name="LJ H510 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 504 627 } #!CB name="LJ C504 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 510 627 } #!CB name="LJ H510 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 504 630 } #!CB name="LJ C504 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 510 630 } #!CB name="LJ H510 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 504 633 } #!CB name="LJ C504 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 510 633 } #!CB name="LJ H510 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 504 636 } #!CB name="LJ C504 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 510 636 } #!CB name="LJ H510 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 504 715 } #!CB name="LJ C504 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 510 715 } #!CB name="LJ H510 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 504 718 } #!CB name="LJ C504 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 510 718 } #!CB name="LJ H510 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 504 721 } #!CB name="LJ C504 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 510 721 } #!CB name="LJ H510 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 504 724 } #!CB name="LJ C504 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 510 724 } #!CB name="LJ H510 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 504 727 } #!CB name="LJ C504 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 510 727 } #!CB name="LJ H510 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 504 730 } #!CB name="LJ C504 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 510 730 } #!CB name="LJ H510 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 504 733 } #!CB name="LJ C504 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 510 733 } #!CB name="LJ H510 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 504 736 } #!CB name="LJ C504 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 510 736 } #!CB name="LJ H510 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 505 15 } #!CB name="LJ C505 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 511 15 } #!CB name="LJ H511 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 505 18 } #!CB name="LJ C505 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 511 18 } #!CB name="LJ H511 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 505 21 } #!CB name="LJ C505 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 511 21 } #!CB name="LJ H511 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 505 24 } #!CB name="LJ C505 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 511 24 } #!CB name="LJ H511 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 505 27 } #!CB name="LJ C505 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 511 27 } #!CB name="LJ H511 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 505 30 } #!CB name="LJ C505 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 511 30 } #!CB name="LJ H511 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 505 33 } #!CB name="LJ C505 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 511 33 } #!CB name="LJ H511 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 505 36 } #!CB name="LJ C505 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 511 36 } #!CB name="LJ H511 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 505 115 } #!CB name="LJ C505 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 511 115 } #!CB name="LJ H511 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 505 118 } #!CB name="LJ C505 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 511 118 } #!CB name="LJ H511 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 505 121 } #!CB name="LJ C505 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 511 121 } #!CB name="LJ H511 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 505 124 } #!CB name="LJ C505 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 511 124 } #!CB name="LJ H511 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 505 127 } #!CB name="LJ C505 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 511 127 } #!CB name="LJ H511 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 505 130 } #!CB name="LJ C505 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 511 130 } #!CB name="LJ H511 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 505 133 } #!CB name="LJ C505 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 511 133 } #!CB name="LJ H511 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 505 136 } #!CB name="LJ C505 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 511 136 } #!CB name="LJ H511 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 505 215 } #!CB name="LJ C505 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 511 215 } #!CB name="LJ H511 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 505 218 } #!CB name="LJ C505 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 511 218 } #!CB name="LJ H511 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 505 221 } #!CB name="LJ C505 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 511 221 } #!CB name="LJ H511 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 505 224 } #!CB name="LJ C505 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 511 224 } #!CB name="LJ H511 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 505 227 } #!CB name="LJ C505 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 511 227 } #!CB name="LJ H511 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 505 230 } #!CB name="LJ C505 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 511 230 } #!CB name="LJ H511 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 505 233 } #!CB name="LJ C505 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 511 233 } #!CB name="LJ H511 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 505 236 } #!CB name="LJ C505 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 511 236 } #!CB name="LJ H511 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 505 315 } #!CB name="LJ C505 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 511 315 } #!CB name="LJ H511 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 505 318 } #!CB name="LJ C505 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 511 318 } #!CB name="LJ H511 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 505 321 } #!CB name="LJ C505 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 511 321 } #!CB name="LJ H511 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 505 324 } #!CB name="LJ C505 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 511 324 } #!CB name="LJ H511 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 505 327 } #!CB name="LJ C505 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 511 327 } #!CB name="LJ H511 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 505 330 } #!CB name="LJ C505 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 511 330 } #!CB name="LJ H511 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 505 333 } #!CB name="LJ C505 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 511 333 } #!CB name="LJ H511 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 505 336 } #!CB name="LJ C505 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 511 336 } #!CB name="LJ H511 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 505 415 } #!CB name="LJ C505 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 511 415 } #!CB name="LJ H511 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 505 418 } #!CB name="LJ C505 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 511 418 } #!CB name="LJ H511 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 505 421 } #!CB name="LJ C505 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 511 421 } #!CB name="LJ H511 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 505 424 } #!CB name="LJ C505 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 511 424 } #!CB name="LJ H511 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 505 427 } #!CB name="LJ C505 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 511 427 } #!CB name="LJ H511 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 505 430 } #!CB name="LJ C505 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 511 430 } #!CB name="LJ H511 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 505 433 } #!CB name="LJ C505 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 511 433 } #!CB name="LJ H511 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 505 436 } #!CB name="LJ C505 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 511 436 } #!CB name="LJ H511 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 505 515 } #!CB name="LJ C505 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 511 515 } #!CB name="LJ H511 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 505 518 } #!CB name="LJ C505 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 511 518 } #!CB name="LJ H511 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 505 521 } #!CB name="LJ C505 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 511 521 } #!CB name="LJ H511 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 505 524 } #!CB name="LJ C505 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 511 524 } #!CB name="LJ H511 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 505 527 } #!CB name="LJ C505 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 511 527 } #!CB name="LJ H511 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 505 530 } #!CB name="LJ C505 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 511 530 } #!CB name="LJ H511 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 505 533 } #!CB name="LJ C505 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 511 533 } #!CB name="LJ H511 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 505 536 } #!CB name="LJ C505 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 511 536 } #!CB name="LJ H511 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 505 615 } #!CB name="LJ C505 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 511 615 } #!CB name="LJ H511 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 505 618 } #!CB name="LJ C505 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 511 618 } #!CB name="LJ H511 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 505 621 } #!CB name="LJ C505 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 511 621 } #!CB name="LJ H511 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 505 624 } #!CB name="LJ C505 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 511 624 } #!CB name="LJ H511 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 505 627 } #!CB name="LJ C505 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 511 627 } #!CB name="LJ H511 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 505 630 } #!CB name="LJ C505 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 511 630 } #!CB name="LJ H511 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 505 633 } #!CB name="LJ C505 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 511 633 } #!CB name="LJ H511 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 505 636 } #!CB name="LJ C505 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 511 636 } #!CB name="LJ H511 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 505 715 } #!CB name="LJ C505 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 511 715 } #!CB name="LJ H511 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 505 718 } #!CB name="LJ C505 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 511 718 } #!CB name="LJ H511 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 505 721 } #!CB name="LJ C505 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 511 721 } #!CB name="LJ H511 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 505 724 } #!CB name="LJ C505 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 511 724 } #!CB name="LJ H511 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 505 727 } #!CB name="LJ C505 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 511 727 } #!CB name="LJ H511 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 505 730 } #!CB name="LJ C505 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 511 730 } #!CB name="LJ H511 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 505 733 } #!CB name="LJ C505 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 511 733 } #!CB name="LJ H511 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 505 736 } #!CB name="LJ C505 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 511 736 } #!CB name="LJ H511 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 600 15 } #!CB name="LJ C600 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 606 15 } #!CB name="LJ H606 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 600 18 } #!CB name="LJ C600 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 606 18 } #!CB name="LJ H606 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 600 21 } #!CB name="LJ C600 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 606 21 } #!CB name="LJ H606 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 600 24 } #!CB name="LJ C600 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 606 24 } #!CB name="LJ H606 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 600 27 } #!CB name="LJ C600 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 606 27 } #!CB name="LJ H606 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 600 30 } #!CB name="LJ C600 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 606 30 } #!CB name="LJ H606 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 600 33 } #!CB name="LJ C600 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 606 33 } #!CB name="LJ H606 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 600 36 } #!CB name="LJ C600 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 606 36 } #!CB name="LJ H606 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 600 115 } #!CB name="LJ C600 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 606 115 } #!CB name="LJ H606 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 600 118 } #!CB name="LJ C600 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 606 118 } #!CB name="LJ H606 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 600 121 } #!CB name="LJ C600 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 606 121 } #!CB name="LJ H606 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 600 124 } #!CB name="LJ C600 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 606 124 } #!CB name="LJ H606 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 600 127 } #!CB name="LJ C600 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 606 127 } #!CB name="LJ H606 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 600 130 } #!CB name="LJ C600 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 606 130 } #!CB name="LJ H606 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 600 133 } #!CB name="LJ C600 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 606 133 } #!CB name="LJ H606 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 600 136 } #!CB name="LJ C600 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 606 136 } #!CB name="LJ H606 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 600 215 } #!CB name="LJ C600 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 606 215 } #!CB name="LJ H606 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 600 218 } #!CB name="LJ C600 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 606 218 } #!CB name="LJ H606 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 600 221 } #!CB name="LJ C600 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 606 221 } #!CB name="LJ H606 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 600 224 } #!CB name="LJ C600 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 606 224 } #!CB name="LJ H606 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 600 227 } #!CB name="LJ C600 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 606 227 } #!CB name="LJ H606 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 600 230 } #!CB name="LJ C600 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 606 230 } #!CB name="LJ H606 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 600 233 } #!CB name="LJ C600 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 606 233 } #!CB name="LJ H606 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 600 236 } #!CB name="LJ C600 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 606 236 } #!CB name="LJ H606 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 600 315 } #!CB name="LJ C600 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 606 315 } #!CB name="LJ H606 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 600 318 } #!CB name="LJ C600 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 606 318 } #!CB name="LJ H606 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 600 321 } #!CB name="LJ C600 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 606 321 } #!CB name="LJ H606 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 600 324 } #!CB name="LJ C600 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 606 324 } #!CB name="LJ H606 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 600 327 } #!CB name="LJ C600 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 606 327 } #!CB name="LJ H606 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 600 330 } #!CB name="LJ C600 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 606 330 } #!CB name="LJ H606 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 600 333 } #!CB name="LJ C600 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 606 333 } #!CB name="LJ H606 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 600 336 } #!CB name="LJ C600 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 606 336 } #!CB name="LJ H606 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 600 415 } #!CB name="LJ C600 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 606 415 } #!CB name="LJ H606 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 600 418 } #!CB name="LJ C600 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 606 418 } #!CB name="LJ H606 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 600 421 } #!CB name="LJ C600 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 606 421 } #!CB name="LJ H606 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 600 424 } #!CB name="LJ C600 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 606 424 } #!CB name="LJ H606 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 600 427 } #!CB name="LJ C600 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 606 427 } #!CB name="LJ H606 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 600 430 } #!CB name="LJ C600 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 606 430 } #!CB name="LJ H606 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 600 433 } #!CB name="LJ C600 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 606 433 } #!CB name="LJ H606 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 600 436 } #!CB name="LJ C600 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 606 436 } #!CB name="LJ H606 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 600 515 } #!CB name="LJ C600 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 606 515 } #!CB name="LJ H606 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 600 518 } #!CB name="LJ C600 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 606 518 } #!CB name="LJ H606 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 600 521 } #!CB name="LJ C600 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 606 521 } #!CB name="LJ H606 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 600 524 } #!CB name="LJ C600 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 606 524 } #!CB name="LJ H606 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 600 527 } #!CB name="LJ C600 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 606 527 } #!CB name="LJ H606 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 600 530 } #!CB name="LJ C600 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 606 530 } #!CB name="LJ H606 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 600 533 } #!CB name="LJ C600 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 606 533 } #!CB name="LJ H606 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 600 536 } #!CB name="LJ C600 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 606 536 } #!CB name="LJ H606 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 600 615 } #!CB name="LJ C600 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 606 615 } #!CB name="LJ H606 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 600 618 } #!CB name="LJ C600 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 606 618 } #!CB name="LJ H606 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 600 621 } #!CB name="LJ C600 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 606 621 } #!CB name="LJ H606 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 600 624 } #!CB name="LJ C600 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 606 624 } #!CB name="LJ H606 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 600 627 } #!CB name="LJ C600 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 606 627 } #!CB name="LJ H606 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 600 630 } #!CB name="LJ C600 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 606 630 } #!CB name="LJ H606 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 600 633 } #!CB name="LJ C600 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 606 633 } #!CB name="LJ H606 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 600 636 } #!CB name="LJ C600 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 606 636 } #!CB name="LJ H606 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 600 715 } #!CB name="LJ C600 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 606 715 } #!CB name="LJ H606 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 600 718 } #!CB name="LJ C600 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 606 718 } #!CB name="LJ H606 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 600 721 } #!CB name="LJ C600 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 606 721 } #!CB name="LJ H606 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 600 724 } #!CB name="LJ C600 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 606 724 } #!CB name="LJ H606 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 600 727 } #!CB name="LJ C600 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 606 727 } #!CB name="LJ H606 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 600 730 } #!CB name="LJ C600 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 606 730 } #!CB name="LJ H606 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 600 733 } #!CB name="LJ C600 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 606 733 } #!CB name="LJ H606 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 600 736 } #!CB name="LJ C600 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 606 736 } #!CB name="LJ H606 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 601 15 } #!CB name="LJ C601 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 607 15 } #!CB name="LJ H607 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 601 18 } #!CB name="LJ C601 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 607 18 } #!CB name="LJ H607 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 601 21 } #!CB name="LJ C601 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 607 21 } #!CB name="LJ H607 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 601 24 } #!CB name="LJ C601 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 607 24 } #!CB name="LJ H607 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 601 27 } #!CB name="LJ C601 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 607 27 } #!CB name="LJ H607 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 601 30 } #!CB name="LJ C601 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 607 30 } #!CB name="LJ H607 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 601 33 } #!CB name="LJ C601 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 607 33 } #!CB name="LJ H607 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 601 36 } #!CB name="LJ C601 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 607 36 } #!CB name="LJ H607 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 601 115 } #!CB name="LJ C601 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 607 115 } #!CB name="LJ H607 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 601 118 } #!CB name="LJ C601 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 607 118 } #!CB name="LJ H607 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 601 121 } #!CB name="LJ C601 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 607 121 } #!CB name="LJ H607 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 601 124 } #!CB name="LJ C601 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 607 124 } #!CB name="LJ H607 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 601 127 } #!CB name="LJ C601 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 607 127 } #!CB name="LJ H607 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 601 130 } #!CB name="LJ C601 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 607 130 } #!CB name="LJ H607 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 601 133 } #!CB name="LJ C601 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 607 133 } #!CB name="LJ H607 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 601 136 } #!CB name="LJ C601 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 607 136 } #!CB name="LJ H607 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 601 215 } #!CB name="LJ C601 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 607 215 } #!CB name="LJ H607 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 601 218 } #!CB name="LJ C601 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 607 218 } #!CB name="LJ H607 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 601 221 } #!CB name="LJ C601 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 607 221 } #!CB name="LJ H607 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 601 224 } #!CB name="LJ C601 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 607 224 } #!CB name="LJ H607 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 601 227 } #!CB name="LJ C601 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 607 227 } #!CB name="LJ H607 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 601 230 } #!CB name="LJ C601 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 607 230 } #!CB name="LJ H607 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 601 233 } #!CB name="LJ C601 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 607 233 } #!CB name="LJ H607 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 601 236 } #!CB name="LJ C601 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 607 236 } #!CB name="LJ H607 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 601 315 } #!CB name="LJ C601 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 607 315 } #!CB name="LJ H607 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 601 318 } #!CB name="LJ C601 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 607 318 } #!CB name="LJ H607 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 601 321 } #!CB name="LJ C601 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 607 321 } #!CB name="LJ H607 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 601 324 } #!CB name="LJ C601 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 607 324 } #!CB name="LJ H607 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 601 327 } #!CB name="LJ C601 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 607 327 } #!CB name="LJ H607 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 601 330 } #!CB name="LJ C601 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 607 330 } #!CB name="LJ H607 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 601 333 } #!CB name="LJ C601 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 607 333 } #!CB name="LJ H607 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 601 336 } #!CB name="LJ C601 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 607 336 } #!CB name="LJ H607 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 601 415 } #!CB name="LJ C601 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 607 415 } #!CB name="LJ H607 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 601 418 } #!CB name="LJ C601 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 607 418 } #!CB name="LJ H607 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 601 421 } #!CB name="LJ C601 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 607 421 } #!CB name="LJ H607 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 601 424 } #!CB name="LJ C601 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 607 424 } #!CB name="LJ H607 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 601 427 } #!CB name="LJ C601 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 607 427 } #!CB name="LJ H607 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 601 430 } #!CB name="LJ C601 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 607 430 } #!CB name="LJ H607 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 601 433 } #!CB name="LJ C601 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 607 433 } #!CB name="LJ H607 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 601 436 } #!CB name="LJ C601 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 607 436 } #!CB name="LJ H607 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 601 515 } #!CB name="LJ C601 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 607 515 } #!CB name="LJ H607 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 601 518 } #!CB name="LJ C601 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 607 518 } #!CB name="LJ H607 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 601 521 } #!CB name="LJ C601 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 607 521 } #!CB name="LJ H607 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 601 524 } #!CB name="LJ C601 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 607 524 } #!CB name="LJ H607 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 601 527 } #!CB name="LJ C601 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 607 527 } #!CB name="LJ H607 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 601 530 } #!CB name="LJ C601 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 607 530 } #!CB name="LJ H607 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 601 533 } #!CB name="LJ C601 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 607 533 } #!CB name="LJ H607 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 601 536 } #!CB name="LJ C601 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 607 536 } #!CB name="LJ H607 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 601 615 } #!CB name="LJ C601 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 607 615 } #!CB name="LJ H607 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 601 618 } #!CB name="LJ C601 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 607 618 } #!CB name="LJ H607 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 601 621 } #!CB name="LJ C601 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 607 621 } #!CB name="LJ H607 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 601 624 } #!CB name="LJ C601 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 607 624 } #!CB name="LJ H607 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 601 627 } #!CB name="LJ C601 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 607 627 } #!CB name="LJ H607 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 601 630 } #!CB name="LJ C601 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 607 630 } #!CB name="LJ H607 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 601 633 } #!CB name="LJ C601 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 607 633 } #!CB name="LJ H607 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 601 636 } #!CB name="LJ C601 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 607 636 } #!CB name="LJ H607 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 601 715 } #!CB name="LJ C601 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 607 715 } #!CB name="LJ H607 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 601 718 } #!CB name="LJ C601 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 607 718 } #!CB name="LJ H607 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 601 721 } #!CB name="LJ C601 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 607 721 } #!CB name="LJ H607 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 601 724 } #!CB name="LJ C601 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 607 724 } #!CB name="LJ H607 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 601 727 } #!CB name="LJ C601 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 607 727 } #!CB name="LJ H607 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 601 730 } #!CB name="LJ C601 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 607 730 } #!CB name="LJ H607 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 601 733 } #!CB name="LJ C601 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 607 733 } #!CB name="LJ H607 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 601 736 } #!CB name="LJ C601 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 607 736 } #!CB name="LJ H607 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 602 15 } #!CB name="LJ C602 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 608 15 } #!CB name="LJ H608 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 602 18 } #!CB name="LJ C602 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 608 18 } #!CB name="LJ H608 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 602 21 } #!CB name="LJ C602 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 608 21 } #!CB name="LJ H608 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 602 24 } #!CB name="LJ C602 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 608 24 } #!CB name="LJ H608 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 602 27 } #!CB name="LJ C602 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 608 27 } #!CB name="LJ H608 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 602 30 } #!CB name="LJ C602 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 608 30 } #!CB name="LJ H608 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 602 33 } #!CB name="LJ C602 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 608 33 } #!CB name="LJ H608 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 602 36 } #!CB name="LJ C602 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 608 36 } #!CB name="LJ H608 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 602 115 } #!CB name="LJ C602 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 608 115 } #!CB name="LJ H608 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 602 118 } #!CB name="LJ C602 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 608 118 } #!CB name="LJ H608 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 602 121 } #!CB name="LJ C602 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 608 121 } #!CB name="LJ H608 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 602 124 } #!CB name="LJ C602 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 608 124 } #!CB name="LJ H608 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 602 127 } #!CB name="LJ C602 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 608 127 } #!CB name="LJ H608 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 602 130 } #!CB name="LJ C602 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 608 130 } #!CB name="LJ H608 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 602 133 } #!CB name="LJ C602 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 608 133 } #!CB name="LJ H608 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 602 136 } #!CB name="LJ C602 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 608 136 } #!CB name="LJ H608 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 602 215 } #!CB name="LJ C602 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 608 215 } #!CB name="LJ H608 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 602 218 } #!CB name="LJ C602 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 608 218 } #!CB name="LJ H608 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 602 221 } #!CB name="LJ C602 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 608 221 } #!CB name="LJ H608 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 602 224 } #!CB name="LJ C602 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 608 224 } #!CB name="LJ H608 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 602 227 } #!CB name="LJ C602 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 608 227 } #!CB name="LJ H608 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 602 230 } #!CB name="LJ C602 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 608 230 } #!CB name="LJ H608 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 602 233 } #!CB name="LJ C602 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 608 233 } #!CB name="LJ H608 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 602 236 } #!CB name="LJ C602 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 608 236 } #!CB name="LJ H608 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 602 315 } #!CB name="LJ C602 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 608 315 } #!CB name="LJ H608 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 602 318 } #!CB name="LJ C602 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 608 318 } #!CB name="LJ H608 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 602 321 } #!CB name="LJ C602 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 608 321 } #!CB name="LJ H608 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 602 324 } #!CB name="LJ C602 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 608 324 } #!CB name="LJ H608 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 602 327 } #!CB name="LJ C602 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 608 327 } #!CB name="LJ H608 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 602 330 } #!CB name="LJ C602 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 608 330 } #!CB name="LJ H608 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 602 333 } #!CB name="LJ C602 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 608 333 } #!CB name="LJ H608 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 602 336 } #!CB name="LJ C602 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 608 336 } #!CB name="LJ H608 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 602 415 } #!CB name="LJ C602 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 608 415 } #!CB name="LJ H608 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 602 418 } #!CB name="LJ C602 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 608 418 } #!CB name="LJ H608 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 602 421 } #!CB name="LJ C602 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 608 421 } #!CB name="LJ H608 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 602 424 } #!CB name="LJ C602 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 608 424 } #!CB name="LJ H608 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 602 427 } #!CB name="LJ C602 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 608 427 } #!CB name="LJ H608 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 602 430 } #!CB name="LJ C602 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 608 430 } #!CB name="LJ H608 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 602 433 } #!CB name="LJ C602 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 608 433 } #!CB name="LJ H608 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 602 436 } #!CB name="LJ C602 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 608 436 } #!CB name="LJ H608 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 602 515 } #!CB name="LJ C602 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 608 515 } #!CB name="LJ H608 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 602 518 } #!CB name="LJ C602 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 608 518 } #!CB name="LJ H608 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 602 521 } #!CB name="LJ C602 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 608 521 } #!CB name="LJ H608 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 602 524 } #!CB name="LJ C602 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 608 524 } #!CB name="LJ H608 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 602 527 } #!CB name="LJ C602 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 608 527 } #!CB name="LJ H608 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 602 530 } #!CB name="LJ C602 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 608 530 } #!CB name="LJ H608 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 602 533 } #!CB name="LJ C602 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 608 533 } #!CB name="LJ H608 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 602 536 } #!CB name="LJ C602 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 608 536 } #!CB name="LJ H608 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 602 615 } #!CB name="LJ C602 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 608 615 } #!CB name="LJ H608 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 602 618 } #!CB name="LJ C602 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 608 618 } #!CB name="LJ H608 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 602 621 } #!CB name="LJ C602 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 608 621 } #!CB name="LJ H608 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 602 624 } #!CB name="LJ C602 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 608 624 } #!CB name="LJ H608 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 602 627 } #!CB name="LJ C602 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 608 627 } #!CB name="LJ H608 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 602 630 } #!CB name="LJ C602 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 608 630 } #!CB name="LJ H608 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 602 633 } #!CB name="LJ C602 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 608 633 } #!CB name="LJ H608 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 602 636 } #!CB name="LJ C602 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 608 636 } #!CB name="LJ H608 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 602 715 } #!CB name="LJ C602 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 608 715 } #!CB name="LJ H608 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 602 718 } #!CB name="LJ C602 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 608 718 } #!CB name="LJ H608 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 602 721 } #!CB name="LJ C602 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 608 721 } #!CB name="LJ H608 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 602 724 } #!CB name="LJ C602 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 608 724 } #!CB name="LJ H608 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 602 727 } #!CB name="LJ C602 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 608 727 } #!CB name="LJ H608 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 602 730 } #!CB name="LJ C602 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 608 730 } #!CB name="LJ H608 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 602 733 } #!CB name="LJ C602 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 608 733 } #!CB name="LJ H608 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 602 736 } #!CB name="LJ C602 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 608 736 } #!CB name="LJ H608 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 603 15 } #!CB name="LJ C603 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 609 15 } #!CB name="LJ H609 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 603 18 } #!CB name="LJ C603 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 609 18 } #!CB name="LJ H609 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 603 21 } #!CB name="LJ C603 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 609 21 } #!CB name="LJ H609 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 603 24 } #!CB name="LJ C603 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 609 24 } #!CB name="LJ H609 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 603 27 } #!CB name="LJ C603 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 609 27 } #!CB name="LJ H609 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 603 30 } #!CB name="LJ C603 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 609 30 } #!CB name="LJ H609 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 603 33 } #!CB name="LJ C603 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 609 33 } #!CB name="LJ H609 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 603 36 } #!CB name="LJ C603 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 609 36 } #!CB name="LJ H609 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 603 115 } #!CB name="LJ C603 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 609 115 } #!CB name="LJ H609 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 603 118 } #!CB name="LJ C603 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 609 118 } #!CB name="LJ H609 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 603 121 } #!CB name="LJ C603 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 609 121 } #!CB name="LJ H609 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 603 124 } #!CB name="LJ C603 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 609 124 } #!CB name="LJ H609 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 603 127 } #!CB name="LJ C603 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 609 127 } #!CB name="LJ H609 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 603 130 } #!CB name="LJ C603 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 609 130 } #!CB name="LJ H609 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 603 133 } #!CB name="LJ C603 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 609 133 } #!CB name="LJ H609 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 603 136 } #!CB name="LJ C603 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 609 136 } #!CB name="LJ H609 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 603 215 } #!CB name="LJ C603 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 609 215 } #!CB name="LJ H609 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 603 218 } #!CB name="LJ C603 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 609 218 } #!CB name="LJ H609 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 603 221 } #!CB name="LJ C603 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 609 221 } #!CB name="LJ H609 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 603 224 } #!CB name="LJ C603 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 609 224 } #!CB name="LJ H609 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 603 227 } #!CB name="LJ C603 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 609 227 } #!CB name="LJ H609 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 603 230 } #!CB name="LJ C603 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 609 230 } #!CB name="LJ H609 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 603 233 } #!CB name="LJ C603 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 609 233 } #!CB name="LJ H609 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 603 236 } #!CB name="LJ C603 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 609 236 } #!CB name="LJ H609 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 603 315 } #!CB name="LJ C603 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 609 315 } #!CB name="LJ H609 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 603 318 } #!CB name="LJ C603 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 609 318 } #!CB name="LJ H609 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 603 321 } #!CB name="LJ C603 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 609 321 } #!CB name="LJ H609 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 603 324 } #!CB name="LJ C603 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 609 324 } #!CB name="LJ H609 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 603 327 } #!CB name="LJ C603 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 609 327 } #!CB name="LJ H609 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 603 330 } #!CB name="LJ C603 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 609 330 } #!CB name="LJ H609 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 603 333 } #!CB name="LJ C603 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 609 333 } #!CB name="LJ H609 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 603 336 } #!CB name="LJ C603 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 609 336 } #!CB name="LJ H609 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 603 415 } #!CB name="LJ C603 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 609 415 } #!CB name="LJ H609 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 603 418 } #!CB name="LJ C603 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 609 418 } #!CB name="LJ H609 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 603 421 } #!CB name="LJ C603 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 609 421 } #!CB name="LJ H609 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 603 424 } #!CB name="LJ C603 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 609 424 } #!CB name="LJ H609 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 603 427 } #!CB name="LJ C603 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 609 427 } #!CB name="LJ H609 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 603 430 } #!CB name="LJ C603 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 609 430 } #!CB name="LJ H609 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 603 433 } #!CB name="LJ C603 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 609 433 } #!CB name="LJ H609 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 603 436 } #!CB name="LJ C603 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 609 436 } #!CB name="LJ H609 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 603 515 } #!CB name="LJ C603 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 609 515 } #!CB name="LJ H609 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 603 518 } #!CB name="LJ C603 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 609 518 } #!CB name="LJ H609 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 603 521 } #!CB name="LJ C603 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 609 521 } #!CB name="LJ H609 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 603 524 } #!CB name="LJ C603 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 609 524 } #!CB name="LJ H609 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 603 527 } #!CB name="LJ C603 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 609 527 } #!CB name="LJ H609 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 603 530 } #!CB name="LJ C603 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 609 530 } #!CB name="LJ H609 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 603 533 } #!CB name="LJ C603 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 609 533 } #!CB name="LJ H609 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 603 536 } #!CB name="LJ C603 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 609 536 } #!CB name="LJ H609 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 603 615 } #!CB name="LJ C603 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 609 615 } #!CB name="LJ H609 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 603 618 } #!CB name="LJ C603 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 609 618 } #!CB name="LJ H609 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 603 621 } #!CB name="LJ C603 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 609 621 } #!CB name="LJ H609 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 603 624 } #!CB name="LJ C603 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 609 624 } #!CB name="LJ H609 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 603 627 } #!CB name="LJ C603 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 609 627 } #!CB name="LJ H609 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 603 630 } #!CB name="LJ C603 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 609 630 } #!CB name="LJ H609 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 603 633 } #!CB name="LJ C603 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 609 633 } #!CB name="LJ H609 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 603 636 } #!CB name="LJ C603 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 609 636 } #!CB name="LJ H609 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 603 715 } #!CB name="LJ C603 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 609 715 } #!CB name="LJ H609 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 603 718 } #!CB name="LJ C603 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 609 718 } #!CB name="LJ H609 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 603 721 } #!CB name="LJ C603 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 609 721 } #!CB name="LJ H609 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 603 724 } #!CB name="LJ C603 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 609 724 } #!CB name="LJ H609 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 603 727 } #!CB name="LJ C603 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 609 727 } #!CB name="LJ H609 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 603 730 } #!CB name="LJ C603 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 609 730 } #!CB name="LJ H609 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 603 733 } #!CB name="LJ C603 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 609 733 } #!CB name="LJ H609 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 603 736 } #!CB name="LJ C603 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 609 736 } #!CB name="LJ H609 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 604 15 } #!CB name="LJ C604 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 610 15 } #!CB name="LJ H610 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 604 18 } #!CB name="LJ C604 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 610 18 } #!CB name="LJ H610 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 604 21 } #!CB name="LJ C604 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 610 21 } #!CB name="LJ H610 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 604 24 } #!CB name="LJ C604 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 610 24 } #!CB name="LJ H610 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 604 27 } #!CB name="LJ C604 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 610 27 } #!CB name="LJ H610 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 604 30 } #!CB name="LJ C604 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 610 30 } #!CB name="LJ H610 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 604 33 } #!CB name="LJ C604 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 610 33 } #!CB name="LJ H610 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 604 36 } #!CB name="LJ C604 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 610 36 } #!CB name="LJ H610 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 604 115 } #!CB name="LJ C604 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 610 115 } #!CB name="LJ H610 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 604 118 } #!CB name="LJ C604 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 610 118 } #!CB name="LJ H610 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 604 121 } #!CB name="LJ C604 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 610 121 } #!CB name="LJ H610 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 604 124 } #!CB name="LJ C604 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 610 124 } #!CB name="LJ H610 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 604 127 } #!CB name="LJ C604 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 610 127 } #!CB name="LJ H610 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 604 130 } #!CB name="LJ C604 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 610 130 } #!CB name="LJ H610 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 604 133 } #!CB name="LJ C604 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 610 133 } #!CB name="LJ H610 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 604 136 } #!CB name="LJ C604 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 610 136 } #!CB name="LJ H610 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 604 215 } #!CB name="LJ C604 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 610 215 } #!CB name="LJ H610 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 604 218 } #!CB name="LJ C604 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 610 218 } #!CB name="LJ H610 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 604 221 } #!CB name="LJ C604 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 610 221 } #!CB name="LJ H610 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 604 224 } #!CB name="LJ C604 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 610 224 } #!CB name="LJ H610 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 604 227 } #!CB name="LJ C604 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 610 227 } #!CB name="LJ H610 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 604 230 } #!CB name="LJ C604 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 610 230 } #!CB name="LJ H610 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 604 233 } #!CB name="LJ C604 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 610 233 } #!CB name="LJ H610 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 604 236 } #!CB name="LJ C604 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 610 236 } #!CB name="LJ H610 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 604 315 } #!CB name="LJ C604 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 610 315 } #!CB name="LJ H610 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 604 318 } #!CB name="LJ C604 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 610 318 } #!CB name="LJ H610 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 604 321 } #!CB name="LJ C604 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 610 321 } #!CB name="LJ H610 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 604 324 } #!CB name="LJ C604 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 610 324 } #!CB name="LJ H610 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 604 327 } #!CB name="LJ C604 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 610 327 } #!CB name="LJ H610 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 604 330 } #!CB name="LJ C604 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 610 330 } #!CB name="LJ H610 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 604 333 } #!CB name="LJ C604 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 610 333 } #!CB name="LJ H610 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 604 336 } #!CB name="LJ C604 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 610 336 } #!CB name="LJ H610 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 604 415 } #!CB name="LJ C604 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 610 415 } #!CB name="LJ H610 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 604 418 } #!CB name="LJ C604 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 610 418 } #!CB name="LJ H610 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 604 421 } #!CB name="LJ C604 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 610 421 } #!CB name="LJ H610 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 604 424 } #!CB name="LJ C604 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 610 424 } #!CB name="LJ H610 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 604 427 } #!CB name="LJ C604 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 610 427 } #!CB name="LJ H610 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 604 430 } #!CB name="LJ C604 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 610 430 } #!CB name="LJ H610 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 604 433 } #!CB name="LJ C604 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 610 433 } #!CB name="LJ H610 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 604 436 } #!CB name="LJ C604 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 610 436 } #!CB name="LJ H610 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 604 515 } #!CB name="LJ C604 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 610 515 } #!CB name="LJ H610 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 604 518 } #!CB name="LJ C604 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 610 518 } #!CB name="LJ H610 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 604 521 } #!CB name="LJ C604 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 610 521 } #!CB name="LJ H610 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 604 524 } #!CB name="LJ C604 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 610 524 } #!CB name="LJ H610 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 604 527 } #!CB name="LJ C604 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 610 527 } #!CB name="LJ H610 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 604 530 } #!CB name="LJ C604 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 610 530 } #!CB name="LJ H610 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 604 533 } #!CB name="LJ C604 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 610 533 } #!CB name="LJ H610 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 604 536 } #!CB name="LJ C604 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 610 536 } #!CB name="LJ H610 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 604 615 } #!CB name="LJ C604 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 610 615 } #!CB name="LJ H610 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 604 618 } #!CB name="LJ C604 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 610 618 } #!CB name="LJ H610 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 604 621 } #!CB name="LJ C604 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 610 621 } #!CB name="LJ H610 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 604 624 } #!CB name="LJ C604 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 610 624 } #!CB name="LJ H610 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 604 627 } #!CB name="LJ C604 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 610 627 } #!CB name="LJ H610 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 604 630 } #!CB name="LJ C604 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 610 630 } #!CB name="LJ H610 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 604 633 } #!CB name="LJ C604 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 610 633 } #!CB name="LJ H610 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 604 636 } #!CB name="LJ C604 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 610 636 } #!CB name="LJ H610 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 604 715 } #!CB name="LJ C604 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 610 715 } #!CB name="LJ H610 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 604 718 } #!CB name="LJ C604 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 610 718 } #!CB name="LJ H610 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 604 721 } #!CB name="LJ C604 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 610 721 } #!CB name="LJ H610 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 604 724 } #!CB name="LJ C604 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 610 724 } #!CB name="LJ H610 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 604 727 } #!CB name="LJ C604 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 610 727 } #!CB name="LJ H610 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 604 730 } #!CB name="LJ C604 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 610 730 } #!CB name="LJ H610 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 604 733 } #!CB name="LJ C604 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 610 733 } #!CB name="LJ H610 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 604 736 } #!CB name="LJ C604 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 610 736 } #!CB name="LJ H610 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 605 15 } #!CB name="LJ C605 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 611 15 } #!CB name="LJ H611 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 605 18 } #!CB name="LJ C605 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 611 18 } #!CB name="LJ H611 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 605 21 } #!CB name="LJ C605 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 611 21 } #!CB name="LJ H611 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 605 24 } #!CB name="LJ C605 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 611 24 } #!CB name="LJ H611 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 605 27 } #!CB name="LJ C605 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 611 27 } #!CB name="LJ H611 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 605 30 } #!CB name="LJ C605 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 611 30 } #!CB name="LJ H611 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 605 33 } #!CB name="LJ C605 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 611 33 } #!CB name="LJ H611 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 605 36 } #!CB name="LJ C605 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 611 36 } #!CB name="LJ H611 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 605 115 } #!CB name="LJ C605 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 611 115 } #!CB name="LJ H611 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 605 118 } #!CB name="LJ C605 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 611 118 } #!CB name="LJ H611 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 605 121 } #!CB name="LJ C605 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 611 121 } #!CB name="LJ H611 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 605 124 } #!CB name="LJ C605 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 611 124 } #!CB name="LJ H611 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 605 127 } #!CB name="LJ C605 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 611 127 } #!CB name="LJ H611 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 605 130 } #!CB name="LJ C605 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 611 130 } #!CB name="LJ H611 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 605 133 } #!CB name="LJ C605 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 611 133 } #!CB name="LJ H611 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 605 136 } #!CB name="LJ C605 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 611 136 } #!CB name="LJ H611 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 605 215 } #!CB name="LJ C605 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 611 215 } #!CB name="LJ H611 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 605 218 } #!CB name="LJ C605 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 611 218 } #!CB name="LJ H611 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 605 221 } #!CB name="LJ C605 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 611 221 } #!CB name="LJ H611 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 605 224 } #!CB name="LJ C605 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 611 224 } #!CB name="LJ H611 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 605 227 } #!CB name="LJ C605 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 611 227 } #!CB name="LJ H611 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 605 230 } #!CB name="LJ C605 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 611 230 } #!CB name="LJ H611 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 605 233 } #!CB name="LJ C605 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 611 233 } #!CB name="LJ H611 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 605 236 } #!CB name="LJ C605 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 611 236 } #!CB name="LJ H611 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 605 315 } #!CB name="LJ C605 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 611 315 } #!CB name="LJ H611 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 605 318 } #!CB name="LJ C605 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 611 318 } #!CB name="LJ H611 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 605 321 } #!CB name="LJ C605 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 611 321 } #!CB name="LJ H611 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 605 324 } #!CB name="LJ C605 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 611 324 } #!CB name="LJ H611 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 605 327 } #!CB name="LJ C605 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 611 327 } #!CB name="LJ H611 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 605 330 } #!CB name="LJ C605 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 611 330 } #!CB name="LJ H611 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 605 333 } #!CB name="LJ C605 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 611 333 } #!CB name="LJ H611 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 605 336 } #!CB name="LJ C605 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 611 336 } #!CB name="LJ H611 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 605 415 } #!CB name="LJ C605 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 611 415 } #!CB name="LJ H611 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 605 418 } #!CB name="LJ C605 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 611 418 } #!CB name="LJ H611 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 605 421 } #!CB name="LJ C605 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 611 421 } #!CB name="LJ H611 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 605 424 } #!CB name="LJ C605 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 611 424 } #!CB name="LJ H611 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 605 427 } #!CB name="LJ C605 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 611 427 } #!CB name="LJ H611 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 605 430 } #!CB name="LJ C605 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 611 430 } #!CB name="LJ H611 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 605 433 } #!CB name="LJ C605 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 611 433 } #!CB name="LJ H611 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 605 436 } #!CB name="LJ C605 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 611 436 } #!CB name="LJ H611 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 605 515 } #!CB name="LJ C605 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 611 515 } #!CB name="LJ H611 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 605 518 } #!CB name="LJ C605 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 611 518 } #!CB name="LJ H611 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 605 521 } #!CB name="LJ C605 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 611 521 } #!CB name="LJ H611 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 605 524 } #!CB name="LJ C605 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 611 524 } #!CB name="LJ H611 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 605 527 } #!CB name="LJ C605 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 611 527 } #!CB name="LJ H611 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 605 530 } #!CB name="LJ C605 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 611 530 } #!CB name="LJ H611 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 605 533 } #!CB name="LJ C605 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 611 533 } #!CB name="LJ H611 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 605 536 } #!CB name="LJ C605 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 611 536 } #!CB name="LJ H611 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 605 615 } #!CB name="LJ C605 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 611 615 } #!CB name="LJ H611 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 605 618 } #!CB name="LJ C605 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 611 618 } #!CB name="LJ H611 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 605 621 } #!CB name="LJ C605 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 611 621 } #!CB name="LJ H611 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 605 624 } #!CB name="LJ C605 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 611 624 } #!CB name="LJ H611 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 605 627 } #!CB name="LJ C605 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 611 627 } #!CB name="LJ H611 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 605 630 } #!CB name="LJ C605 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 611 630 } #!CB name="LJ H611 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 605 633 } #!CB name="LJ C605 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 611 633 } #!CB name="LJ H611 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 605 636 } #!CB name="LJ C605 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 611 636 } #!CB name="LJ H611 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 605 715 } #!CB name="LJ C605 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 611 715 } #!CB name="LJ H611 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 605 718 } #!CB name="LJ C605 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 611 718 } #!CB name="LJ H611 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 605 721 } #!CB name="LJ C605 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 611 721 } #!CB name="LJ H611 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 605 724 } #!CB name="LJ C605 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 611 724 } #!CB name="LJ H611 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 605 727 } #!CB name="LJ C605 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 611 727 } #!CB name="LJ H611 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 605 730 } #!CB name="LJ C605 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 611 730 } #!CB name="LJ H611 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 605 733 } #!CB name="LJ C605 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 611 733 } #!CB name="LJ H611 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 605 736 } #!CB name="LJ C605 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 611 736 } #!CB name="LJ H611 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 700 15 } #!CB name="LJ C700 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 706 15 } #!CB name="LJ H706 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 700 18 } #!CB name="LJ C700 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 706 18 } #!CB name="LJ H706 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 700 21 } #!CB name="LJ C700 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 706 21 } #!CB name="LJ H706 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 700 24 } #!CB name="LJ C700 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 706 24 } #!CB name="LJ H706 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 700 27 } #!CB name="LJ C700 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 706 27 } #!CB name="LJ H706 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 700 30 } #!CB name="LJ C700 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 706 30 } #!CB name="LJ H706 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 700 33 } #!CB name="LJ C700 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 706 33 } #!CB name="LJ H706 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 700 36 } #!CB name="LJ C700 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 706 36 } #!CB name="LJ H706 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 700 115 } #!CB name="LJ C700 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 706 115 } #!CB name="LJ H706 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 700 118 } #!CB name="LJ C700 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 706 118 } #!CB name="LJ H706 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 700 121 } #!CB name="LJ C700 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 706 121 } #!CB name="LJ H706 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 700 124 } #!CB name="LJ C700 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 706 124 } #!CB name="LJ H706 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 700 127 } #!CB name="LJ C700 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 706 127 } #!CB name="LJ H706 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 700 130 } #!CB name="LJ C700 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 706 130 } #!CB name="LJ H706 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 700 133 } #!CB name="LJ C700 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 706 133 } #!CB name="LJ H706 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 700 136 } #!CB name="LJ C700 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 706 136 } #!CB name="LJ H706 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 700 215 } #!CB name="LJ C700 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 706 215 } #!CB name="LJ H706 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 700 218 } #!CB name="LJ C700 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 706 218 } #!CB name="LJ H706 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 700 221 } #!CB name="LJ C700 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 706 221 } #!CB name="LJ H706 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 700 224 } #!CB name="LJ C700 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 706 224 } #!CB name="LJ H706 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 700 227 } #!CB name="LJ C700 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 706 227 } #!CB name="LJ H706 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 700 230 } #!CB name="LJ C700 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 706 230 } #!CB name="LJ H706 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 700 233 } #!CB name="LJ C700 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 706 233 } #!CB name="LJ H706 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 700 236 } #!CB name="LJ C700 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 706 236 } #!CB name="LJ H706 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 700 315 } #!CB name="LJ C700 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 706 315 } #!CB name="LJ H706 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 700 318 } #!CB name="LJ C700 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 706 318 } #!CB name="LJ H706 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 700 321 } #!CB name="LJ C700 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 706 321 } #!CB name="LJ H706 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 700 324 } #!CB name="LJ C700 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 706 324 } #!CB name="LJ H706 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 700 327 } #!CB name="LJ C700 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 706 327 } #!CB name="LJ H706 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 700 330 } #!CB name="LJ C700 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 706 330 } #!CB name="LJ H706 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 700 333 } #!CB name="LJ C700 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 706 333 } #!CB name="LJ H706 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 700 336 } #!CB name="LJ C700 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 706 336 } #!CB name="LJ H706 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 700 415 } #!CB name="LJ C700 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 706 415 } #!CB name="LJ H706 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 700 418 } #!CB name="LJ C700 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 706 418 } #!CB name="LJ H706 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 700 421 } #!CB name="LJ C700 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 706 421 } #!CB name="LJ H706 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 700 424 } #!CB name="LJ C700 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 706 424 } #!CB name="LJ H706 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 700 427 } #!CB name="LJ C700 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 706 427 } #!CB name="LJ H706 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 700 430 } #!CB name="LJ C700 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 706 430 } #!CB name="LJ H706 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 700 433 } #!CB name="LJ C700 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 706 433 } #!CB name="LJ H706 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 700 436 } #!CB name="LJ C700 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 706 436 } #!CB name="LJ H706 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 700 515 } #!CB name="LJ C700 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 706 515 } #!CB name="LJ H706 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 700 518 } #!CB name="LJ C700 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 706 518 } #!CB name="LJ H706 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 700 521 } #!CB name="LJ C700 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 706 521 } #!CB name="LJ H706 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 700 524 } #!CB name="LJ C700 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 706 524 } #!CB name="LJ H706 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 700 527 } #!CB name="LJ C700 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 706 527 } #!CB name="LJ H706 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 700 530 } #!CB name="LJ C700 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 706 530 } #!CB name="LJ H706 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 700 533 } #!CB name="LJ C700 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 706 533 } #!CB name="LJ H706 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 700 536 } #!CB name="LJ C700 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 706 536 } #!CB name="LJ H706 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 700 615 } #!CB name="LJ C700 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 706 615 } #!CB name="LJ H706 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 700 618 } #!CB name="LJ C700 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 706 618 } #!CB name="LJ H706 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 700 621 } #!CB name="LJ C700 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 706 621 } #!CB name="LJ H706 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 700 624 } #!CB name="LJ C700 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 706 624 } #!CB name="LJ H706 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 700 627 } #!CB name="LJ C700 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 706 627 } #!CB name="LJ H706 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 700 630 } #!CB name="LJ C700 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 706 630 } #!CB name="LJ H706 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 700 633 } #!CB name="LJ C700 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 706 633 } #!CB name="LJ H706 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 700 636 } #!CB name="LJ C700 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 706 636 } #!CB name="LJ H706 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 700 715 } #!CB name="LJ C700 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 706 715 } #!CB name="LJ H706 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 700 718 } #!CB name="LJ C700 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 706 718 } #!CB name="LJ H706 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 700 721 } #!CB name="LJ C700 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 706 721 } #!CB name="LJ H706 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 700 724 } #!CB name="LJ C700 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 706 724 } #!CB name="LJ H706 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 700 727 } #!CB name="LJ C700 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 706 727 } #!CB name="LJ H706 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 700 730 } #!CB name="LJ C700 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 706 730 } #!CB name="LJ H706 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 700 733 } #!CB name="LJ C700 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 706 733 } #!CB name="LJ H706 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 700 736 } #!CB name="LJ C700 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 706 736 } #!CB name="LJ H706 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 701 15 } #!CB name="LJ C701 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 707 15 } #!CB name="LJ H707 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 701 18 } #!CB name="LJ C701 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 707 18 } #!CB name="LJ H707 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 701 21 } #!CB name="LJ C701 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 707 21 } #!CB name="LJ H707 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 701 24 } #!CB name="LJ C701 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 707 24 } #!CB name="LJ H707 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 701 27 } #!CB name="LJ C701 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 707 27 } #!CB name="LJ H707 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 701 30 } #!CB name="LJ C701 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 707 30 } #!CB name="LJ H707 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 701 33 } #!CB name="LJ C701 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 707 33 } #!CB name="LJ H707 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 701 36 } #!CB name="LJ C701 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 707 36 } #!CB name="LJ H707 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 701 115 } #!CB name="LJ C701 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 707 115 } #!CB name="LJ H707 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 701 118 } #!CB name="LJ C701 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 707 118 } #!CB name="LJ H707 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 701 121 } #!CB name="LJ C701 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 707 121 } #!CB name="LJ H707 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 701 124 } #!CB name="LJ C701 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 707 124 } #!CB name="LJ H707 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 701 127 } #!CB name="LJ C701 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 707 127 } #!CB name="LJ H707 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 701 130 } #!CB name="LJ C701 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 707 130 } #!CB name="LJ H707 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 701 133 } #!CB name="LJ C701 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 707 133 } #!CB name="LJ H707 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 701 136 } #!CB name="LJ C701 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 707 136 } #!CB name="LJ H707 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 701 215 } #!CB name="LJ C701 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 707 215 } #!CB name="LJ H707 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 701 218 } #!CB name="LJ C701 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 707 218 } #!CB name="LJ H707 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 701 221 } #!CB name="LJ C701 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 707 221 } #!CB name="LJ H707 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 701 224 } #!CB name="LJ C701 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 707 224 } #!CB name="LJ H707 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 701 227 } #!CB name="LJ C701 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 707 227 } #!CB name="LJ H707 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 701 230 } #!CB name="LJ C701 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 707 230 } #!CB name="LJ H707 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 701 233 } #!CB name="LJ C701 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 707 233 } #!CB name="LJ H707 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 701 236 } #!CB name="LJ C701 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 707 236 } #!CB name="LJ H707 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 701 315 } #!CB name="LJ C701 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 707 315 } #!CB name="LJ H707 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 701 318 } #!CB name="LJ C701 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 707 318 } #!CB name="LJ H707 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 701 321 } #!CB name="LJ C701 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 707 321 } #!CB name="LJ H707 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 701 324 } #!CB name="LJ C701 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 707 324 } #!CB name="LJ H707 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 701 327 } #!CB name="LJ C701 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 707 327 } #!CB name="LJ H707 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 701 330 } #!CB name="LJ C701 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 707 330 } #!CB name="LJ H707 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 701 333 } #!CB name="LJ C701 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 707 333 } #!CB name="LJ H707 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 701 336 } #!CB name="LJ C701 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 707 336 } #!CB name="LJ H707 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 701 415 } #!CB name="LJ C701 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 707 415 } #!CB name="LJ H707 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 701 418 } #!CB name="LJ C701 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 707 418 } #!CB name="LJ H707 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 701 421 } #!CB name="LJ C701 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 707 421 } #!CB name="LJ H707 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 701 424 } #!CB name="LJ C701 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 707 424 } #!CB name="LJ H707 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 701 427 } #!CB name="LJ C701 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 707 427 } #!CB name="LJ H707 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 701 430 } #!CB name="LJ C701 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 707 430 } #!CB name="LJ H707 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 701 433 } #!CB name="LJ C701 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 707 433 } #!CB name="LJ H707 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 701 436 } #!CB name="LJ C701 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 707 436 } #!CB name="LJ H707 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 701 515 } #!CB name="LJ C701 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 707 515 } #!CB name="LJ H707 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 701 518 } #!CB name="LJ C701 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 707 518 } #!CB name="LJ H707 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 701 521 } #!CB name="LJ C701 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 707 521 } #!CB name="LJ H707 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 701 524 } #!CB name="LJ C701 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 707 524 } #!CB name="LJ H707 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 701 527 } #!CB name="LJ C701 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 707 527 } #!CB name="LJ H707 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 701 530 } #!CB name="LJ C701 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 707 530 } #!CB name="LJ H707 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 701 533 } #!CB name="LJ C701 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 707 533 } #!CB name="LJ H707 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 701 536 } #!CB name="LJ C701 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 707 536 } #!CB name="LJ H707 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 701 615 } #!CB name="LJ C701 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 707 615 } #!CB name="LJ H707 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 701 618 } #!CB name="LJ C701 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 707 618 } #!CB name="LJ H707 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 701 621 } #!CB name="LJ C701 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 707 621 } #!CB name="LJ H707 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 701 624 } #!CB name="LJ C701 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 707 624 } #!CB name="LJ H707 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 701 627 } #!CB name="LJ C701 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 707 627 } #!CB name="LJ H707 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 701 630 } #!CB name="LJ C701 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 707 630 } #!CB name="LJ H707 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 701 633 } #!CB name="LJ C701 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 707 633 } #!CB name="LJ H707 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 701 636 } #!CB name="LJ C701 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 707 636 } #!CB name="LJ H707 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 701 715 } #!CB name="LJ C701 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 707 715 } #!CB name="LJ H707 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 701 718 } #!CB name="LJ C701 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 707 718 } #!CB name="LJ H707 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 701 721 } #!CB name="LJ C701 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 707 721 } #!CB name="LJ H707 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 701 724 } #!CB name="LJ C701 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 707 724 } #!CB name="LJ H707 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 701 727 } #!CB name="LJ C701 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 707 727 } #!CB name="LJ H707 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 701 730 } #!CB name="LJ C701 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 707 730 } #!CB name="LJ H707 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 701 733 } #!CB name="LJ C701 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 707 733 } #!CB name="LJ H707 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 701 736 } #!CB name="LJ C701 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 707 736 } #!CB name="LJ H707 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 702 15 } #!CB name="LJ C702 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 708 15 } #!CB name="LJ H708 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 702 18 } #!CB name="LJ C702 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 708 18 } #!CB name="LJ H708 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 702 21 } #!CB name="LJ C702 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 708 21 } #!CB name="LJ H708 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 702 24 } #!CB name="LJ C702 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 708 24 } #!CB name="LJ H708 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 702 27 } #!CB name="LJ C702 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 708 27 } #!CB name="LJ H708 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 702 30 } #!CB name="LJ C702 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 708 30 } #!CB name="LJ H708 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 702 33 } #!CB name="LJ C702 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 708 33 } #!CB name="LJ H708 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 702 36 } #!CB name="LJ C702 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 708 36 } #!CB name="LJ H708 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 702 115 } #!CB name="LJ C702 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 708 115 } #!CB name="LJ H708 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 702 118 } #!CB name="LJ C702 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 708 118 } #!CB name="LJ H708 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 702 121 } #!CB name="LJ C702 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 708 121 } #!CB name="LJ H708 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 702 124 } #!CB name="LJ C702 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 708 124 } #!CB name="LJ H708 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 702 127 } #!CB name="LJ C702 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 708 127 } #!CB name="LJ H708 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 702 130 } #!CB name="LJ C702 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 708 130 } #!CB name="LJ H708 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 702 133 } #!CB name="LJ C702 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 708 133 } #!CB name="LJ H708 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 702 136 } #!CB name="LJ C702 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 708 136 } #!CB name="LJ H708 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 702 215 } #!CB name="LJ C702 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 708 215 } #!CB name="LJ H708 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 702 218 } #!CB name="LJ C702 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 708 218 } #!CB name="LJ H708 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 702 221 } #!CB name="LJ C702 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 708 221 } #!CB name="LJ H708 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 702 224 } #!CB name="LJ C702 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 708 224 } #!CB name="LJ H708 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 702 227 } #!CB name="LJ C702 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 708 227 } #!CB name="LJ H708 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 702 230 } #!CB name="LJ C702 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 708 230 } #!CB name="LJ H708 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 702 233 } #!CB name="LJ C702 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 708 233 } #!CB name="LJ H708 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 702 236 } #!CB name="LJ C702 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 708 236 } #!CB name="LJ H708 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 702 315 } #!CB name="LJ C702 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 708 315 } #!CB name="LJ H708 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 702 318 } #!CB name="LJ C702 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 708 318 } #!CB name="LJ H708 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 702 321 } #!CB name="LJ C702 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 708 321 } #!CB name="LJ H708 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 702 324 } #!CB name="LJ C702 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 708 324 } #!CB name="LJ H708 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 702 327 } #!CB name="LJ C702 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 708 327 } #!CB name="LJ H708 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 702 330 } #!CB name="LJ C702 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 708 330 } #!CB name="LJ H708 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 702 333 } #!CB name="LJ C702 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 708 333 } #!CB name="LJ H708 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 702 336 } #!CB name="LJ C702 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 708 336 } #!CB name="LJ H708 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 702 415 } #!CB name="LJ C702 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 708 415 } #!CB name="LJ H708 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 702 418 } #!CB name="LJ C702 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 708 418 } #!CB name="LJ H708 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 702 421 } #!CB name="LJ C702 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 708 421 } #!CB name="LJ H708 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 702 424 } #!CB name="LJ C702 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 708 424 } #!CB name="LJ H708 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 702 427 } #!CB name="LJ C702 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 708 427 } #!CB name="LJ H708 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 702 430 } #!CB name="LJ C702 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 708 430 } #!CB name="LJ H708 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 702 433 } #!CB name="LJ C702 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 708 433 } #!CB name="LJ H708 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 702 436 } #!CB name="LJ C702 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 708 436 } #!CB name="LJ H708 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 702 515 } #!CB name="LJ C702 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 708 515 } #!CB name="LJ H708 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 702 518 } #!CB name="LJ C702 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 708 518 } #!CB name="LJ H708 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 702 521 } #!CB name="LJ C702 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 708 521 } #!CB name="LJ H708 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 702 524 } #!CB name="LJ C702 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 708 524 } #!CB name="LJ H708 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 702 527 } #!CB name="LJ C702 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 708 527 } #!CB name="LJ H708 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 702 530 } #!CB name="LJ C702 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 708 530 } #!CB name="LJ H708 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 702 533 } #!CB name="LJ C702 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 708 533 } #!CB name="LJ H708 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 702 536 } #!CB name="LJ C702 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 708 536 } #!CB name="LJ H708 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 702 615 } #!CB name="LJ C702 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 708 615 } #!CB name="LJ H708 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 702 618 } #!CB name="LJ C702 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 708 618 } #!CB name="LJ H708 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 702 621 } #!CB name="LJ C702 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 708 621 } #!CB name="LJ H708 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 702 624 } #!CB name="LJ C702 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 708 624 } #!CB name="LJ H708 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 702 627 } #!CB name="LJ C702 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 708 627 } #!CB name="LJ H708 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 702 630 } #!CB name="LJ C702 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 708 630 } #!CB name="LJ H708 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 702 633 } #!CB name="LJ C702 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 708 633 } #!CB name="LJ H708 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 702 636 } #!CB name="LJ C702 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 708 636 } #!CB name="LJ H708 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 702 715 } #!CB name="LJ C702 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 708 715 } #!CB name="LJ H708 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 702 718 } #!CB name="LJ C702 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 708 718 } #!CB name="LJ H708 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 702 721 } #!CB name="LJ C702 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 708 721 } #!CB name="LJ H708 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 702 724 } #!CB name="LJ C702 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 708 724 } #!CB name="LJ H708 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 702 727 } #!CB name="LJ C702 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 708 727 } #!CB name="LJ H708 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 702 730 } #!CB name="LJ C702 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 708 730 } #!CB name="LJ H708 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 702 733 } #!CB name="LJ C702 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 708 733 } #!CB name="LJ H708 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 702 736 } #!CB name="LJ C702 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 708 736 } #!CB name="LJ H708 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 703 15 } #!CB name="LJ C703 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 709 15 } #!CB name="LJ H709 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 703 18 } #!CB name="LJ C703 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 709 18 } #!CB name="LJ H709 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 703 21 } #!CB name="LJ C703 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 709 21 } #!CB name="LJ H709 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 703 24 } #!CB name="LJ C703 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 709 24 } #!CB name="LJ H709 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 703 27 } #!CB name="LJ C703 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 709 27 } #!CB name="LJ H709 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 703 30 } #!CB name="LJ C703 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 709 30 } #!CB name="LJ H709 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 703 33 } #!CB name="LJ C703 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 709 33 } #!CB name="LJ H709 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 703 36 } #!CB name="LJ C703 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 709 36 } #!CB name="LJ H709 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 703 115 } #!CB name="LJ C703 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 709 115 } #!CB name="LJ H709 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 703 118 } #!CB name="LJ C703 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 709 118 } #!CB name="LJ H709 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 703 121 } #!CB name="LJ C703 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 709 121 } #!CB name="LJ H709 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 703 124 } #!CB name="LJ C703 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 709 124 } #!CB name="LJ H709 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 703 127 } #!CB name="LJ C703 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 709 127 } #!CB name="LJ H709 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 703 130 } #!CB name="LJ C703 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 709 130 } #!CB name="LJ H709 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 703 133 } #!CB name="LJ C703 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 709 133 } #!CB name="LJ H709 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 703 136 } #!CB name="LJ C703 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 709 136 } #!CB name="LJ H709 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 703 215 } #!CB name="LJ C703 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 709 215 } #!CB name="LJ H709 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 703 218 } #!CB name="LJ C703 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 709 218 } #!CB name="LJ H709 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 703 221 } #!CB name="LJ C703 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 709 221 } #!CB name="LJ H709 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 703 224 } #!CB name="LJ C703 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 709 224 } #!CB name="LJ H709 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 703 227 } #!CB name="LJ C703 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 709 227 } #!CB name="LJ H709 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 703 230 } #!CB name="LJ C703 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 709 230 } #!CB name="LJ H709 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 703 233 } #!CB name="LJ C703 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 709 233 } #!CB name="LJ H709 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 703 236 } #!CB name="LJ C703 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 709 236 } #!CB name="LJ H709 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 703 315 } #!CB name="LJ C703 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 709 315 } #!CB name="LJ H709 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 703 318 } #!CB name="LJ C703 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 709 318 } #!CB name="LJ H709 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 703 321 } #!CB name="LJ C703 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 709 321 } #!CB name="LJ H709 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 703 324 } #!CB name="LJ C703 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 709 324 } #!CB name="LJ H709 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 703 327 } #!CB name="LJ C703 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 709 327 } #!CB name="LJ H709 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 703 330 } #!CB name="LJ C703 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 709 330 } #!CB name="LJ H709 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 703 333 } #!CB name="LJ C703 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 709 333 } #!CB name="LJ H709 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 703 336 } #!CB name="LJ C703 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 709 336 } #!CB name="LJ H709 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 703 415 } #!CB name="LJ C703 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 709 415 } #!CB name="LJ H709 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 703 418 } #!CB name="LJ C703 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 709 418 } #!CB name="LJ H709 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 703 421 } #!CB name="LJ C703 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 709 421 } #!CB name="LJ H709 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 703 424 } #!CB name="LJ C703 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 709 424 } #!CB name="LJ H709 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 703 427 } #!CB name="LJ C703 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 709 427 } #!CB name="LJ H709 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 703 430 } #!CB name="LJ C703 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 709 430 } #!CB name="LJ H709 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 703 433 } #!CB name="LJ C703 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 709 433 } #!CB name="LJ H709 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 703 436 } #!CB name="LJ C703 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 709 436 } #!CB name="LJ H709 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 703 515 } #!CB name="LJ C703 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 709 515 } #!CB name="LJ H709 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 703 518 } #!CB name="LJ C703 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 709 518 } #!CB name="LJ H709 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 703 521 } #!CB name="LJ C703 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 709 521 } #!CB name="LJ H709 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 703 524 } #!CB name="LJ C703 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 709 524 } #!CB name="LJ H709 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 703 527 } #!CB name="LJ C703 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 709 527 } #!CB name="LJ H709 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 703 530 } #!CB name="LJ C703 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 709 530 } #!CB name="LJ H709 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 703 533 } #!CB name="LJ C703 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 709 533 } #!CB name="LJ H709 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 703 536 } #!CB name="LJ C703 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 709 536 } #!CB name="LJ H709 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 703 615 } #!CB name="LJ C703 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 709 615 } #!CB name="LJ H709 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 703 618 } #!CB name="LJ C703 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 709 618 } #!CB name="LJ H709 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 703 621 } #!CB name="LJ C703 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 709 621 } #!CB name="LJ H709 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 703 624 } #!CB name="LJ C703 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 709 624 } #!CB name="LJ H709 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 703 627 } #!CB name="LJ C703 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 709 627 } #!CB name="LJ H709 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 703 630 } #!CB name="LJ C703 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 709 630 } #!CB name="LJ H709 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 703 633 } #!CB name="LJ C703 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 709 633 } #!CB name="LJ H709 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 703 636 } #!CB name="LJ C703 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 709 636 } #!CB name="LJ H709 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 703 715 } #!CB name="LJ C703 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 709 715 } #!CB name="LJ H709 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 703 718 } #!CB name="LJ C703 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 709 718 } #!CB name="LJ H709 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 703 721 } #!CB name="LJ C703 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 709 721 } #!CB name="LJ H709 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 703 724 } #!CB name="LJ C703 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 709 724 } #!CB name="LJ H709 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 703 727 } #!CB name="LJ C703 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 709 727 } #!CB name="LJ H709 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 703 730 } #!CB name="LJ C703 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 709 730 } #!CB name="LJ H709 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 703 733 } #!CB name="LJ C703 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 709 733 } #!CB name="LJ H709 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 703 736 } #!CB name="LJ C703 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 709 736 } #!CB name="LJ H709 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 704 15 } #!CB name="LJ C704 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 710 15 } #!CB name="LJ H710 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 704 18 } #!CB name="LJ C704 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 710 18 } #!CB name="LJ H710 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 704 21 } #!CB name="LJ C704 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 710 21 } #!CB name="LJ H710 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 704 24 } #!CB name="LJ C704 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 710 24 } #!CB name="LJ H710 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 704 27 } #!CB name="LJ C704 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 710 27 } #!CB name="LJ H710 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 704 30 } #!CB name="LJ C704 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 710 30 } #!CB name="LJ H710 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 704 33 } #!CB name="LJ C704 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 710 33 } #!CB name="LJ H710 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 704 36 } #!CB name="LJ C704 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 710 36 } #!CB name="LJ H710 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 704 115 } #!CB name="LJ C704 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 710 115 } #!CB name="LJ H710 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 704 118 } #!CB name="LJ C704 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 710 118 } #!CB name="LJ H710 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 704 121 } #!CB name="LJ C704 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 710 121 } #!CB name="LJ H710 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 704 124 } #!CB name="LJ C704 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 710 124 } #!CB name="LJ H710 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 704 127 } #!CB name="LJ C704 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 710 127 } #!CB name="LJ H710 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 704 130 } #!CB name="LJ C704 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 710 130 } #!CB name="LJ H710 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 704 133 } #!CB name="LJ C704 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 710 133 } #!CB name="LJ H710 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 704 136 } #!CB name="LJ C704 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 710 136 } #!CB name="LJ H710 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 704 215 } #!CB name="LJ C704 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 710 215 } #!CB name="LJ H710 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 704 218 } #!CB name="LJ C704 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 710 218 } #!CB name="LJ H710 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 704 221 } #!CB name="LJ C704 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 710 221 } #!CB name="LJ H710 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 704 224 } #!CB name="LJ C704 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 710 224 } #!CB name="LJ H710 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 704 227 } #!CB name="LJ C704 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 710 227 } #!CB name="LJ H710 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 704 230 } #!CB name="LJ C704 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 710 230 } #!CB name="LJ H710 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 704 233 } #!CB name="LJ C704 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 710 233 } #!CB name="LJ H710 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 704 236 } #!CB name="LJ C704 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 710 236 } #!CB name="LJ H710 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 704 315 } #!CB name="LJ C704 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 710 315 } #!CB name="LJ H710 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 704 318 } #!CB name="LJ C704 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 710 318 } #!CB name="LJ H710 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 704 321 } #!CB name="LJ C704 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 710 321 } #!CB name="LJ H710 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 704 324 } #!CB name="LJ C704 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 710 324 } #!CB name="LJ H710 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 704 327 } #!CB name="LJ C704 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 710 327 } #!CB name="LJ H710 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 704 330 } #!CB name="LJ C704 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 710 330 } #!CB name="LJ H710 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 704 333 } #!CB name="LJ C704 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 710 333 } #!CB name="LJ H710 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 704 336 } #!CB name="LJ C704 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 710 336 } #!CB name="LJ H710 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 704 415 } #!CB name="LJ C704 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 710 415 } #!CB name="LJ H710 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 704 418 } #!CB name="LJ C704 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 710 418 } #!CB name="LJ H710 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 704 421 } #!CB name="LJ C704 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 710 421 } #!CB name="LJ H710 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 704 424 } #!CB name="LJ C704 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 710 424 } #!CB name="LJ H710 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 704 427 } #!CB name="LJ C704 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 710 427 } #!CB name="LJ H710 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 704 430 } #!CB name="LJ C704 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 710 430 } #!CB name="LJ H710 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 704 433 } #!CB name="LJ C704 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 710 433 } #!CB name="LJ H710 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 704 436 } #!CB name="LJ C704 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 710 436 } #!CB name="LJ H710 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 704 515 } #!CB name="LJ C704 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 710 515 } #!CB name="LJ H710 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 704 518 } #!CB name="LJ C704 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 710 518 } #!CB name="LJ H710 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 704 521 } #!CB name="LJ C704 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 710 521 } #!CB name="LJ H710 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 704 524 } #!CB name="LJ C704 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 710 524 } #!CB name="LJ H710 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 704 527 } #!CB name="LJ C704 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 710 527 } #!CB name="LJ H710 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 704 530 } #!CB name="LJ C704 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 710 530 } #!CB name="LJ H710 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 704 533 } #!CB name="LJ C704 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 710 533 } #!CB name="LJ H710 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 704 536 } #!CB name="LJ C704 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 710 536 } #!CB name="LJ H710 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 704 615 } #!CB name="LJ C704 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 710 615 } #!CB name="LJ H710 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 704 618 } #!CB name="LJ C704 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 710 618 } #!CB name="LJ H710 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 704 621 } #!CB name="LJ C704 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 710 621 } #!CB name="LJ H710 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 704 624 } #!CB name="LJ C704 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 710 624 } #!CB name="LJ H710 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 704 627 } #!CB name="LJ C704 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 710 627 } #!CB name="LJ H710 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 704 630 } #!CB name="LJ C704 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 710 630 } #!CB name="LJ H710 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 704 633 } #!CB name="LJ C704 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 710 633 } #!CB name="LJ H710 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 704 636 } #!CB name="LJ C704 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 710 636 } #!CB name="LJ H710 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 704 715 } #!CB name="LJ C704 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 710 715 } #!CB name="LJ H710 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 704 718 } #!CB name="LJ C704 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 710 718 } #!CB name="LJ H710 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 704 721 } #!CB name="LJ C704 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 710 721 } #!CB name="LJ H710 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 704 724 } #!CB name="LJ C704 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 710 724 } #!CB name="LJ H710 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 704 727 } #!CB name="LJ C704 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 710 727 } #!CB name="LJ H710 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 704 730 } #!CB name="LJ C704 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 710 730 } #!CB name="LJ H710 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 704 733 } #!CB name="LJ C704 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 710 733 } #!CB name="LJ H710 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 704 736 } #!CB name="LJ C704 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 710 736 } #!CB name="LJ H710 O736" interaction lennardjones f=6.644E-4 r0=6.334 { 705 15 } #!CB name="LJ C705 O15" interaction lennardjones f=4.349E-4 r0=5.266 { 711 15 } #!CB name="LJ H711 O15" interaction lennardjones f=6.644E-4 r0=6.334 { 705 18 } #!CB name="LJ C705 O18" interaction lennardjones f=4.349E-4 r0=5.266 { 711 18 } #!CB name="LJ H711 O18" interaction lennardjones f=6.644E-4 r0=6.334 { 705 21 } #!CB name="LJ C705 O21" interaction lennardjones f=4.349E-4 r0=5.266 { 711 21 } #!CB name="LJ H711 O21" interaction lennardjones f=6.644E-4 r0=6.334 { 705 24 } #!CB name="LJ C705 O24" interaction lennardjones f=4.349E-4 r0=5.266 { 711 24 } #!CB name="LJ H711 O24" interaction lennardjones f=6.644E-4 r0=6.334 { 705 27 } #!CB name="LJ C705 O27" interaction lennardjones f=4.349E-4 r0=5.266 { 711 27 } #!CB name="LJ H711 O27" interaction lennardjones f=6.644E-4 r0=6.334 { 705 30 } #!CB name="LJ C705 O30" interaction lennardjones f=4.349E-4 r0=5.266 { 711 30 } #!CB name="LJ H711 O30" interaction lennardjones f=6.644E-4 r0=6.334 { 705 33 } #!CB name="LJ C705 O33" interaction lennardjones f=4.349E-4 r0=5.266 { 711 33 } #!CB name="LJ H711 O33" interaction lennardjones f=6.644E-4 r0=6.334 { 705 36 } #!CB name="LJ C705 O36" interaction lennardjones f=4.349E-4 r0=5.266 { 711 36 } #!CB name="LJ H711 O36" interaction lennardjones f=6.644E-4 r0=6.334 { 705 115 } #!CB name="LJ C705 O115" interaction lennardjones f=4.349E-4 r0=5.266 { 711 115 } #!CB name="LJ H711 O115" interaction lennardjones f=6.644E-4 r0=6.334 { 705 118 } #!CB name="LJ C705 O118" interaction lennardjones f=4.349E-4 r0=5.266 { 711 118 } #!CB name="LJ H711 O118" interaction lennardjones f=6.644E-4 r0=6.334 { 705 121 } #!CB name="LJ C705 O121" interaction lennardjones f=4.349E-4 r0=5.266 { 711 121 } #!CB name="LJ H711 O121" interaction lennardjones f=6.644E-4 r0=6.334 { 705 124 } #!CB name="LJ C705 O124" interaction lennardjones f=4.349E-4 r0=5.266 { 711 124 } #!CB name="LJ H711 O124" interaction lennardjones f=6.644E-4 r0=6.334 { 705 127 } #!CB name="LJ C705 O127" interaction lennardjones f=4.349E-4 r0=5.266 { 711 127 } #!CB name="LJ H711 O127" interaction lennardjones f=6.644E-4 r0=6.334 { 705 130 } #!CB name="LJ C705 O130" interaction lennardjones f=4.349E-4 r0=5.266 { 711 130 } #!CB name="LJ H711 O130" interaction lennardjones f=6.644E-4 r0=6.334 { 705 133 } #!CB name="LJ C705 O133" interaction lennardjones f=4.349E-4 r0=5.266 { 711 133 } #!CB name="LJ H711 O133" interaction lennardjones f=6.644E-4 r0=6.334 { 705 136 } #!CB name="LJ C705 O136" interaction lennardjones f=4.349E-4 r0=5.266 { 711 136 } #!CB name="LJ H711 O136" interaction lennardjones f=6.644E-4 r0=6.334 { 705 215 } #!CB name="LJ C705 O215" interaction lennardjones f=4.349E-4 r0=5.266 { 711 215 } #!CB name="LJ H711 O215" interaction lennardjones f=6.644E-4 r0=6.334 { 705 218 } #!CB name="LJ C705 O218" interaction lennardjones f=4.349E-4 r0=5.266 { 711 218 } #!CB name="LJ H711 O218" interaction lennardjones f=6.644E-4 r0=6.334 { 705 221 } #!CB name="LJ C705 O221" interaction lennardjones f=4.349E-4 r0=5.266 { 711 221 } #!CB name="LJ H711 O221" interaction lennardjones f=6.644E-4 r0=6.334 { 705 224 } #!CB name="LJ C705 O224" interaction lennardjones f=4.349E-4 r0=5.266 { 711 224 } #!CB name="LJ H711 O224" interaction lennardjones f=6.644E-4 r0=6.334 { 705 227 } #!CB name="LJ C705 O227" interaction lennardjones f=4.349E-4 r0=5.266 { 711 227 } #!CB name="LJ H711 O227" interaction lennardjones f=6.644E-4 r0=6.334 { 705 230 } #!CB name="LJ C705 O230" interaction lennardjones f=4.349E-4 r0=5.266 { 711 230 } #!CB name="LJ H711 O230" interaction lennardjones f=6.644E-4 r0=6.334 { 705 233 } #!CB name="LJ C705 O233" interaction lennardjones f=4.349E-4 r0=5.266 { 711 233 } #!CB name="LJ H711 O233" interaction lennardjones f=6.644E-4 r0=6.334 { 705 236 } #!CB name="LJ C705 O236" interaction lennardjones f=4.349E-4 r0=5.266 { 711 236 } #!CB name="LJ H711 O236" interaction lennardjones f=6.644E-4 r0=6.334 { 705 315 } #!CB name="LJ C705 O315" interaction lennardjones f=4.349E-4 r0=5.266 { 711 315 } #!CB name="LJ H711 O315" interaction lennardjones f=6.644E-4 r0=6.334 { 705 318 } #!CB name="LJ C705 O318" interaction lennardjones f=4.349E-4 r0=5.266 { 711 318 } #!CB name="LJ H711 O318" interaction lennardjones f=6.644E-4 r0=6.334 { 705 321 } #!CB name="LJ C705 O321" interaction lennardjones f=4.349E-4 r0=5.266 { 711 321 } #!CB name="LJ H711 O321" interaction lennardjones f=6.644E-4 r0=6.334 { 705 324 } #!CB name="LJ C705 O324" interaction lennardjones f=4.349E-4 r0=5.266 { 711 324 } #!CB name="LJ H711 O324" interaction lennardjones f=6.644E-4 r0=6.334 { 705 327 } #!CB name="LJ C705 O327" interaction lennardjones f=4.349E-4 r0=5.266 { 711 327 } #!CB name="LJ H711 O327" interaction lennardjones f=6.644E-4 r0=6.334 { 705 330 } #!CB name="LJ C705 O330" interaction lennardjones f=4.349E-4 r0=5.266 { 711 330 } #!CB name="LJ H711 O330" interaction lennardjones f=6.644E-4 r0=6.334 { 705 333 } #!CB name="LJ C705 O333" interaction lennardjones f=4.349E-4 r0=5.266 { 711 333 } #!CB name="LJ H711 O333" interaction lennardjones f=6.644E-4 r0=6.334 { 705 336 } #!CB name="LJ C705 O336" interaction lennardjones f=4.349E-4 r0=5.266 { 711 336 } #!CB name="LJ H711 O336" interaction lennardjones f=6.644E-4 r0=6.334 { 705 415 } #!CB name="LJ C705 O415" interaction lennardjones f=4.349E-4 r0=5.266 { 711 415 } #!CB name="LJ H711 O415" interaction lennardjones f=6.644E-4 r0=6.334 { 705 418 } #!CB name="LJ C705 O418" interaction lennardjones f=4.349E-4 r0=5.266 { 711 418 } #!CB name="LJ H711 O418" interaction lennardjones f=6.644E-4 r0=6.334 { 705 421 } #!CB name="LJ C705 O421" interaction lennardjones f=4.349E-4 r0=5.266 { 711 421 } #!CB name="LJ H711 O421" interaction lennardjones f=6.644E-4 r0=6.334 { 705 424 } #!CB name="LJ C705 O424" interaction lennardjones f=4.349E-4 r0=5.266 { 711 424 } #!CB name="LJ H711 O424" interaction lennardjones f=6.644E-4 r0=6.334 { 705 427 } #!CB name="LJ C705 O427" interaction lennardjones f=4.349E-4 r0=5.266 { 711 427 } #!CB name="LJ H711 O427" interaction lennardjones f=6.644E-4 r0=6.334 { 705 430 } #!CB name="LJ C705 O430" interaction lennardjones f=4.349E-4 r0=5.266 { 711 430 } #!CB name="LJ H711 O430" interaction lennardjones f=6.644E-4 r0=6.334 { 705 433 } #!CB name="LJ C705 O433" interaction lennardjones f=4.349E-4 r0=5.266 { 711 433 } #!CB name="LJ H711 O433" interaction lennardjones f=6.644E-4 r0=6.334 { 705 436 } #!CB name="LJ C705 O436" interaction lennardjones f=4.349E-4 r0=5.266 { 711 436 } #!CB name="LJ H711 O436" interaction lennardjones f=6.644E-4 r0=6.334 { 705 515 } #!CB name="LJ C705 O515" interaction lennardjones f=4.349E-4 r0=5.266 { 711 515 } #!CB name="LJ H711 O515" interaction lennardjones f=6.644E-4 r0=6.334 { 705 518 } #!CB name="LJ C705 O518" interaction lennardjones f=4.349E-4 r0=5.266 { 711 518 } #!CB name="LJ H711 O518" interaction lennardjones f=6.644E-4 r0=6.334 { 705 521 } #!CB name="LJ C705 O521" interaction lennardjones f=4.349E-4 r0=5.266 { 711 521 } #!CB name="LJ H711 O521" interaction lennardjones f=6.644E-4 r0=6.334 { 705 524 } #!CB name="LJ C705 O524" interaction lennardjones f=4.349E-4 r0=5.266 { 711 524 } #!CB name="LJ H711 O524" interaction lennardjones f=6.644E-4 r0=6.334 { 705 527 } #!CB name="LJ C705 O527" interaction lennardjones f=4.349E-4 r0=5.266 { 711 527 } #!CB name="LJ H711 O527" interaction lennardjones f=6.644E-4 r0=6.334 { 705 530 } #!CB name="LJ C705 O530" interaction lennardjones f=4.349E-4 r0=5.266 { 711 530 } #!CB name="LJ H711 O530" interaction lennardjones f=6.644E-4 r0=6.334 { 705 533 } #!CB name="LJ C705 O533" interaction lennardjones f=4.349E-4 r0=5.266 { 711 533 } #!CB name="LJ H711 O533" interaction lennardjones f=6.644E-4 r0=6.334 { 705 536 } #!CB name="LJ C705 O536" interaction lennardjones f=4.349E-4 r0=5.266 { 711 536 } #!CB name="LJ H711 O536" interaction lennardjones f=6.644E-4 r0=6.334 { 705 615 } #!CB name="LJ C705 O615" interaction lennardjones f=4.349E-4 r0=5.266 { 711 615 } #!CB name="LJ H711 O615" interaction lennardjones f=6.644E-4 r0=6.334 { 705 618 } #!CB name="LJ C705 O618" interaction lennardjones f=4.349E-4 r0=5.266 { 711 618 } #!CB name="LJ H711 O618" interaction lennardjones f=6.644E-4 r0=6.334 { 705 621 } #!CB name="LJ C705 O621" interaction lennardjones f=4.349E-4 r0=5.266 { 711 621 } #!CB name="LJ H711 O621" interaction lennardjones f=6.644E-4 r0=6.334 { 705 624 } #!CB name="LJ C705 O624" interaction lennardjones f=4.349E-4 r0=5.266 { 711 624 } #!CB name="LJ H711 O624" interaction lennardjones f=6.644E-4 r0=6.334 { 705 627 } #!CB name="LJ C705 O627" interaction lennardjones f=4.349E-4 r0=5.266 { 711 627 } #!CB name="LJ H711 O627" interaction lennardjones f=6.644E-4 r0=6.334 { 705 630 } #!CB name="LJ C705 O630" interaction lennardjones f=4.349E-4 r0=5.266 { 711 630 } #!CB name="LJ H711 O630" interaction lennardjones f=6.644E-4 r0=6.334 { 705 633 } #!CB name="LJ C705 O633" interaction lennardjones f=4.349E-4 r0=5.266 { 711 633 } #!CB name="LJ H711 O633" interaction lennardjones f=6.644E-4 r0=6.334 { 705 636 } #!CB name="LJ C705 O636" interaction lennardjones f=4.349E-4 r0=5.266 { 711 636 } #!CB name="LJ H711 O636" interaction lennardjones f=6.644E-4 r0=6.334 { 705 715 } #!CB name="LJ C705 O715" interaction lennardjones f=4.349E-4 r0=5.266 { 711 715 } #!CB name="LJ H711 O715" interaction lennardjones f=6.644E-4 r0=6.334 { 705 718 } #!CB name="LJ C705 O718" interaction lennardjones f=4.349E-4 r0=5.266 { 711 718 } #!CB name="LJ H711 O718" interaction lennardjones f=6.644E-4 r0=6.334 { 705 721 } #!CB name="LJ C705 O721" interaction lennardjones f=4.349E-4 r0=5.266 { 711 721 } #!CB name="LJ H711 O721" interaction lennardjones f=6.644E-4 r0=6.334 { 705 724 } #!CB name="LJ C705 O724" interaction lennardjones f=4.349E-4 r0=5.266 { 711 724 } #!CB name="LJ H711 O724" interaction lennardjones f=6.644E-4 r0=6.334 { 705 727 } #!CB name="LJ C705 O727" interaction lennardjones f=4.349E-4 r0=5.266 { 711 727 } #!CB name="LJ H711 O727" interaction lennardjones f=6.644E-4 r0=6.334 { 705 730 } #!CB name="LJ C705 O730" interaction lennardjones f=4.349E-4 r0=5.266 { 711 730 } #!CB name="LJ H711 O730" interaction lennardjones f=6.644E-4 r0=6.334 { 705 733 } #!CB name="LJ C705 O733" interaction lennardjones f=4.349E-4 r0=5.266 { 711 733 } #!CB name="LJ H711 O733" interaction lennardjones f=6.644E-4 r0=6.334 { 705 736 } #!CB name="LJ C705 O736" interaction lennardjones f=4.349E-4 r0=5.266 { 711 736 } #!CB name="LJ H711 O736" # Constraints: # Conformation: conformation n=10000 error=1.0E-4 maxstep=2.5 # Temperature: temperature k=3.166829E-6 initial=293.15 # Dynamics: dynamics dt=4.13411 tend=4.1341105461E7 t=0.0 error=3.67493E-6 snapshots=10 # End input file