# 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=[18.7595310032,18.7595310032,18.7595310032]

# Construct the particles and define the intramolecular interactions:
# Generating a model of 1 benzene molecules with density equal to 0.8765 kg/l ... 
# Molecule 0
	translate x=0.0 y=0.0 z=0.0
	rotate deg=61 axis=[.4450,.0930,.0690]
	# 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"
# Adding 27 water molecules per benzene, 27 in total.
# They are placed in a model with a density equal to 0.9982 kg/l.
# Molecule 0 0
	translate x=-5.87030891124 y=-5.87030891124 z=-5.87030891124
	rotate deg=271 axis=[-.6960,.9790,.5030]
	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=-5.87030891124 y=-5.87030891124 z=-8.80429097204e-12
	rotate deg=221 axis=[-.2970,-.7100,-.2970]
	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=-5.87030891124 y=-5.87030891124 z=5.87030891122
	rotate deg=277 axis=[.6190,.7240,-.6250]
	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=-5.87030891124 y=-8.80429097204e-12 z=-5.87030891124
	rotate deg=235 axis=[-.9490,-.8670,-.5210]
	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=-5.87030891124 y=-8.80429097204e-12 z=-8.80429097204e-12
	rotate deg=99 axis=[-.3710,.3150,.8890]
	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=-5.87030891124 y=-8.80429097204e-12 z=5.87030891122
	rotate deg=285 axis=[-.7170,-.9940,-.6350]
	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=-5.87030891124 y=5.87030891122 z=-5.87030891124
	rotate deg=303 axis=[.4720,-.7720,.5170]
	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=-5.87030891124 y=5.87030891122 z=-8.80429097204e-12
	rotate deg=84 axis=[.0250,-.8810,-.7160]
	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 0 8
	translate x=-5.87030891124 y=5.87030891122 z=5.87030891122
	rotate deg=125 axis=[-.4330,-.2140,.8220]
	particle id=39 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 8 O1 "
	particle id=40 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 8 H1"
	particle id=41 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="0 8 H2"
# Molecule 0 9
	translate x=-8.80429097204e-12 y=-5.87030891124 z=-5.87030891124
	rotate deg=182 axis=[-.8860,.4540,-.7960]
	particle id=42 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 9 O1 "
	particle id=43 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 9 H1"
	particle id=44 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="0 9 H2"
# Molecule 0 10
	translate x=-8.80429097204e-12 y=-5.87030891124 z=-8.80429097204e-12
	rotate deg=196 axis=[.9830,-.6150,-.4250]
	particle id=45 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 10 O1 "
	particle id=46 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 10 H1"
	particle id=47 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="0 10 H2"
# Molecule 0 11
	translate x=-8.80429097204e-12 y=-5.87030891124 z=5.87030891122
	rotate deg=240 axis=[-.5530,-.2690,-.9130]
	particle id=48 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 11 O1 "
	particle id=49 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 11 H1"
	particle id=50 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="0 11 H2"
# Molecule 0 12
	translate x=-8.80429097204e-12 y=-8.80429097204e-12 z=-5.87030891124
	rotate deg=179 axis=[.9030,-.4840,.9290]
	particle id=51 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 12 O1 "
	particle id=52 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 12 H1"
	particle id=53 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="0 12 H2"
# Molecule 0 13
	translate x=-8.80429097204e-12 y=-8.80429097204e-12 z=-8.80429097204e-12
	rotate deg=30 axis=[.6910,-.8860,-.6990]
	particle id=54 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 13 O1 "
	particle id=55 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 13 H1"
	particle id=56 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="0 13 H2"
# Molecule 0 14
	translate x=-8.80429097204e-12 y=-8.80429097204e-12 z=5.87030891122
	rotate deg=29 axis=[.7100,-.1870,.5190]
	particle id=57 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 14 O1 "
	particle id=58 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 14 H1"
	particle id=59 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="0 14 H2"
# Molecule 0 15
	translate x=-8.80429097204e-12 y=5.87030891122 z=-5.87030891124
	rotate deg=39 axis=[.0590,-.8550,.9450]
	particle id=60 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 15 O1 "
	particle id=61 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 15 H1"
	particle id=62 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="0 15 H2"
# Molecule 0 16
	translate x=-8.80429097204e-12 y=5.87030891122 z=-8.80429097204e-12
	rotate deg=124 axis=[-.5570,-.7750,.9090]
	particle id=63 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 16 O1 "
	particle id=64 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 16 H1"
	particle id=65 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="0 16 H2"
# Molecule 0 17
	translate x=-8.80429097204e-12 y=5.87030891122 z=5.87030891122
	rotate deg=180 axis=[-.3150,-.9570,-.7980]
	particle id=66 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 17 O1 "
	particle id=67 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 17 H1"
	particle id=68 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="0 17 H2"
# Molecule 0 18
	translate x=5.87030891122 y=-5.87030891124 z=-5.87030891124
	rotate deg=106 axis=[-.5340,.9430,-.1190]
	particle id=69 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 18 O1 "
	particle id=70 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 18 H1"
	particle id=71 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="0 18 H2"
# Molecule 0 19
	translate x=5.87030891122 y=-5.87030891124 z=-8.80429097204e-12
	rotate deg=150 axis=[-.7450,.7560,-.4280]
	particle id=72 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 19 O1 "
	particle id=73 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 19 H1"
	particle id=74 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="0 19 H2"
# Molecule 0 20
	translate x=5.87030891122 y=-5.87030891124 z=5.87030891122
	rotate deg=330 axis=[-.6070,.9490,.5330]
	particle id=75 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 20 O1 "
	particle id=76 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 20 H1"
	particle id=77 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="0 20 H2"
# Molecule 0 21
	translate x=5.87030891122 y=-8.80429097204e-12 z=-5.87030891124
	rotate deg=3 axis=[-.4980,-.9840,-.3140]
	particle id=78 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 21 O1 "
	particle id=79 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 21 H1"
	particle id=80 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="0 21 H2"
# Molecule 0 22
	translate x=5.87030891122 y=-8.80429097204e-12 z=-8.80429097204e-12
	rotate deg=252 axis=[-.9310,-.8110,-.5410]
	particle id=81 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 22 O1 "
	particle id=82 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 22 H1"
	particle id=83 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="0 22 H2"
# Molecule 0 23
	translate x=5.87030891122 y=-8.80429097204e-12 z=5.87030891122
	rotate deg=224 axis=[.2350,-.0680,.2840]
	particle id=84 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 23 O1 "
	particle id=85 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 23 H1"
	particle id=86 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="0 23 H2"
# Molecule 0 24
	translate x=5.87030891122 y=5.87030891122 z=-5.87030891124
	rotate deg=240 axis=[.0680,-.6480,.2280]
	particle id=87 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 24 O1 "
	particle id=88 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 24 H1"
	particle id=89 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="0 24 H2"
# Molecule 0 25
	translate x=5.87030891122 y=5.87030891122 z=-8.80429097204e-12
	rotate deg=268 axis=[.7730,-.1550,.0210]
	particle id=90 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 25 O1 "
	particle id=91 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 25 H1"
	particle id=92 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="0 25 H2"
# Molecule 0 26
	translate x=5.87030891122 y=5.87030891122 z=5.87030891122
	rotate deg=199 axis=[.4980,-.6850,.7650]
	particle id=93 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 26 O1 "
	particle id=94 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 26 H1"
	particle id=95 x=[0.0,1.5,3.75] p=[0.0,0.0,0.0] #!CB name="0 26 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"

# 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 0 8 internal interactions:
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 39 40 } #!CB name="HS 8 O1H1"
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 39 41 } #!CB name="HS 8 O1H2"
	interaction bending f=0.159147835842 deg=109.47 { 40 39 41 } #!CB name="HB 8 H1O1H2"
# Water molecule 0 9 internal interactions:
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 42 43 } #!CB name="HS 9 O1H1"
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 42 44 } #!CB name="HS 9 O1H2"
	interaction bending f=0.159147835842 deg=109.47 { 43 42 44 } #!CB name="HB 9 H1O1H2"
# Water molecule 0 10 internal interactions:
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 45 46 } #!CB name="HS 10 O1H1"
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 45 47 } #!CB name="HS 10 O1H2"
	interaction bending f=0.159147835842 deg=109.47 { 46 45 47 } #!CB name="HB 10 H1O1H2"
# Water molecule 0 11 internal interactions:
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 48 49 } #!CB name="HS 11 O1H1"
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 48 50 } #!CB name="HS 11 O1H2"
	interaction bending f=0.159147835842 deg=109.47 { 49 48 50 } #!CB name="HB 11 H1O1H2"
# Water molecule 0 12 internal interactions:
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 51 52 } #!CB name="HS 12 O1H1"
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 51 53 } #!CB name="HS 12 O1H2"
	interaction bending f=0.159147835842 deg=109.47 { 52 51 53 } #!CB name="HB 12 H1O1H2"
# Water molecule 0 13 internal interactions:
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 54 55 } #!CB name="HS 13 O1H1"
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 54 56 } #!CB name="HS 13 O1H2"
	interaction bending f=0.159147835842 deg=109.47 { 55 54 56 } #!CB name="HB 13 H1O1H2"
# Water molecule 0 14 internal interactions:
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 57 58 } #!CB name="HS 14 O1H1"
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 57 59 } #!CB name="HS 14 O1H2"
	interaction bending f=0.159147835842 deg=109.47 { 58 57 59 } #!CB name="HB 14 H1O1H2"
# Water molecule 0 15 internal interactions:
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 60 61 } #!CB name="HS 15 O1H1"
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 60 62 } #!CB name="HS 15 O1H2"
	interaction bending f=0.159147835842 deg=109.47 { 61 60 62 } #!CB name="HB 15 H1O1H2"
# Water molecule 0 16 internal interactions:
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 63 64 } #!CB name="HS 16 O1H1"
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 63 65 } #!CB name="HS 16 O1H2"
	interaction bending f=0.159147835842 deg=109.47 { 64 63 65 } #!CB name="HB 16 H1O1H2"
# Water molecule 0 17 internal interactions:
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 66 67 } #!CB name="HS 17 O1H1"
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 66 68 } #!CB name="HS 17 O1H2"
	interaction bending f=0.159147835842 deg=109.47 { 67 66 68 } #!CB name="HB 17 H1O1H2"
# Water molecule 0 18 internal interactions:
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 69 70 } #!CB name="HS 18 O1H1"
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 69 71 } #!CB name="HS 18 O1H2"
	interaction bending f=0.159147835842 deg=109.47 { 70 69 71 } #!CB name="HB 18 H1O1H2"
# Water molecule 0 19 internal interactions:
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 72 73 } #!CB name="HS 19 O1H1"
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 72 74 } #!CB name="HS 19 O1H2"
	interaction bending f=0.159147835842 deg=109.47 { 73 72 74 } #!CB name="HB 19 H1O1H2"
# Water molecule 0 20 internal interactions:
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 75 76 } #!CB name="HS 20 O1H1"
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 75 77 } #!CB name="HS 20 O1H2"
	interaction bending f=0.159147835842 deg=109.47 { 76 75 77 } #!CB name="HB 20 H1O1H2"
# Water molecule 0 21 internal interactions:
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 78 79 } #!CB name="HS 21 O1H1"
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 78 80 } #!CB name="HS 21 O1H2"
	interaction bending f=0.159147835842 deg=109.47 { 79 78 80 } #!CB name="HB 21 H1O1H2"
# Water molecule 0 22 internal interactions:
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 81 82 } #!CB name="HS 22 O1H1"
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 81 83 } #!CB name="HS 22 O1H2"
	interaction bending f=0.159147835842 deg=109.47 { 82 81 83 } #!CB name="HB 22 H1O1H2"
# Water molecule 0 23 internal interactions:
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 84 85 } #!CB name="HS 23 O1H1"
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 84 86 } #!CB name="HS 23 O1H2"
	interaction bending f=0.159147835842 deg=109.47 { 85 84 86 } #!CB name="HB 23 H1O1H2"
# Water molecule 0 24 internal interactions:
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 87 88 } #!CB name="HS 24 O1H1"
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 87 89 } #!CB name="HS 24 O1H2"
	interaction bending f=0.159147835842 deg=109.47 { 88 87 89 } #!CB name="HB 24 H1O1H2"
# Water molecule 0 25 internal interactions:
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 90 91 } #!CB name="HS 25 O1H1"
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 90 92 } #!CB name="HS 25 O1H2"
	interaction bending f=0.159147835842 deg=109.47 { 91 90 92 } #!CB name="HB 25 H1O1H2"
# Water molecule 0 26 internal interactions:
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 93 94 } #!CB name="HS 26 O1H1"
	interaction harmonic f=1.74616112472 r0=1.88972598858 { 93 95 } #!CB name="HS 26 O1H2"
	interaction bending f=0.159147835842 deg=109.47 { 94 93 95 } #!CB name="HB 26 H1O1H2"

# Benzene intermolecular interactions

# 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 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 } #!CB name="Coulomb All Water Molecules"
	interaction lennardjones f=9.887E-4 r0=5.96 { 15 18 21 24 27 30 33 36 39 42 45 48 51 54 57 60 63 66 69 72 75 78 81 84 87 90 93 } #!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 39 } #!CB name="LJ C0 O39"
	interaction lennardjones f=4.349E-4 r0=5.266 { 6 39 } #!CB name="LJ H6 O39"
	interaction lennardjones f=6.644E-4 r0=6.334 { 0 42 } #!CB name="LJ C0 O42"
	interaction lennardjones f=4.349E-4 r0=5.266 { 6 42 } #!CB name="LJ H6 O42"
	interaction lennardjones f=6.644E-4 r0=6.334 { 0 45 } #!CB name="LJ C0 O45"
	interaction lennardjones f=4.349E-4 r0=5.266 { 6 45 } #!CB name="LJ H6 O45"
	interaction lennardjones f=6.644E-4 r0=6.334 { 0 48 } #!CB name="LJ C0 O48"
	interaction lennardjones f=4.349E-4 r0=5.266 { 6 48 } #!CB name="LJ H6 O48"
	interaction lennardjones f=6.644E-4 r0=6.334 { 0 51 } #!CB name="LJ C0 O51"
	interaction lennardjones f=4.349E-4 r0=5.266 { 6 51 } #!CB name="LJ H6 O51"
	interaction lennardjones f=6.644E-4 r0=6.334 { 0 54 } #!CB name="LJ C0 O54"
	interaction lennardjones f=4.349E-4 r0=5.266 { 6 54 } #!CB name="LJ H6 O54"
	interaction lennardjones f=6.644E-4 r0=6.334 { 0 57 } #!CB name="LJ C0 O57"
	interaction lennardjones f=4.349E-4 r0=5.266 { 6 57 } #!CB name="LJ H6 O57"
	interaction lennardjones f=6.644E-4 r0=6.334 { 0 60 } #!CB name="LJ C0 O60"
	interaction lennardjones f=4.349E-4 r0=5.266 { 6 60 } #!CB name="LJ H6 O60"
	interaction lennardjones f=6.644E-4 r0=6.334 { 0 63 } #!CB name="LJ C0 O63"
	interaction lennardjones f=4.349E-4 r0=5.266 { 6 63 } #!CB name="LJ H6 O63"
	interaction lennardjones f=6.644E-4 r0=6.334 { 0 66 } #!CB name="LJ C0 O66"
	interaction lennardjones f=4.349E-4 r0=5.266 { 6 66 } #!CB name="LJ H6 O66"
	interaction lennardjones f=6.644E-4 r0=6.334 { 0 69 } #!CB name="LJ C0 O69"
	interaction lennardjones f=4.349E-4 r0=5.266 { 6 69 } #!CB name="LJ H6 O69"
	interaction lennardjones f=6.644E-4 r0=6.334 { 0 72 } #!CB name="LJ C0 O72"
	interaction lennardjones f=4.349E-4 r0=5.266 { 6 72 } #!CB name="LJ H6 O72"
	interaction lennardjones f=6.644E-4 r0=6.334 { 0 75 } #!CB name="LJ C0 O75"
	interaction lennardjones f=4.349E-4 r0=5.266 { 6 75 } #!CB name="LJ H6 O75"
	interaction lennardjones f=6.644E-4 r0=6.334 { 0 78 } #!CB name="LJ C0 O78"
	interaction lennardjones f=4.349E-4 r0=5.266 { 6 78 } #!CB name="LJ H6 O78"
	interaction lennardjones f=6.644E-4 r0=6.334 { 0 81 } #!CB name="LJ C0 O81"
	interaction lennardjones f=4.349E-4 r0=5.266 { 6 81 } #!CB name="LJ H6 O81"
	interaction lennardjones f=6.644E-4 r0=6.334 { 0 84 } #!CB name="LJ C0 O84"
	interaction lennardjones f=4.349E-4 r0=5.266 { 6 84 } #!CB name="LJ H6 O84"
	interaction lennardjones f=6.644E-4 r0=6.334 { 0 87 } #!CB name="LJ C0 O87"
	interaction lennardjones f=4.349E-4 r0=5.266 { 6 87 } #!CB name="LJ H6 O87"
	interaction lennardjones f=6.644E-4 r0=6.334 { 0 90 } #!CB name="LJ C0 O90"
	interaction lennardjones f=4.349E-4 r0=5.266 { 6 90 } #!CB name="LJ H6 O90"
	interaction lennardjones f=6.644E-4 r0=6.334 { 0 93 } #!CB name="LJ C0 O93"
	interaction lennardjones f=4.349E-4 r0=5.266 { 6 93 } #!CB name="LJ H6 O93"
	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 39 } #!CB name="LJ C1 O39"
	interaction lennardjones f=4.349E-4 r0=5.266 { 7 39 } #!CB name="LJ H7 O39"
	interaction lennardjones f=6.644E-4 r0=6.334 { 1 42 } #!CB name="LJ C1 O42"
	interaction lennardjones f=4.349E-4 r0=5.266 { 7 42 } #!CB name="LJ H7 O42"
	interaction lennardjones f=6.644E-4 r0=6.334 { 1 45 } #!CB name="LJ C1 O45"
	interaction lennardjones f=4.349E-4 r0=5.266 { 7 45 } #!CB name="LJ H7 O45"
	interaction lennardjones f=6.644E-4 r0=6.334 { 1 48 } #!CB name="LJ C1 O48"
	interaction lennardjones f=4.349E-4 r0=5.266 { 7 48 } #!CB name="LJ H7 O48"
	interaction lennardjones f=6.644E-4 r0=6.334 { 1 51 } #!CB name="LJ C1 O51"
	interaction lennardjones f=4.349E-4 r0=5.266 { 7 51 } #!CB name="LJ H7 O51"
	interaction lennardjones f=6.644E-4 r0=6.334 { 1 54 } #!CB name="LJ C1 O54"
	interaction lennardjones f=4.349E-4 r0=5.266 { 7 54 } #!CB name="LJ H7 O54"
	interaction lennardjones f=6.644E-4 r0=6.334 { 1 57 } #!CB name="LJ C1 O57"
	interaction lennardjones f=4.349E-4 r0=5.266 { 7 57 } #!CB name="LJ H7 O57"
	interaction lennardjones f=6.644E-4 r0=6.334 { 1 60 } #!CB name="LJ C1 O60"
	interaction lennardjones f=4.349E-4 r0=5.266 { 7 60 } #!CB name="LJ H7 O60"
	interaction lennardjones f=6.644E-4 r0=6.334 { 1 63 } #!CB name="LJ C1 O63"
	interaction lennardjones f=4.349E-4 r0=5.266 { 7 63 } #!CB name="LJ H7 O63"
	interaction lennardjones f=6.644E-4 r0=6.334 { 1 66 } #!CB name="LJ C1 O66"
	interaction lennardjones f=4.349E-4 r0=5.266 { 7 66 } #!CB name="LJ H7 O66"
	interaction lennardjones f=6.644E-4 r0=6.334 { 1 69 } #!CB name="LJ C1 O69"
	interaction lennardjones f=4.349E-4 r0=5.266 { 7 69 } #!CB name="LJ H7 O69"
	interaction lennardjones f=6.644E-4 r0=6.334 { 1 72 } #!CB name="LJ C1 O72"
	interaction lennardjones f=4.349E-4 r0=5.266 { 7 72 } #!CB name="LJ H7 O72"
	interaction lennardjones f=6.644E-4 r0=6.334 { 1 75 } #!CB name="LJ C1 O75"
	interaction lennardjones f=4.349E-4 r0=5.266 { 7 75 } #!CB name="LJ H7 O75"
	interaction lennardjones f=6.644E-4 r0=6.334 { 1 78 } #!CB name="LJ C1 O78"
	interaction lennardjones f=4.349E-4 r0=5.266 { 7 78 } #!CB name="LJ H7 O78"
	interaction lennardjones f=6.644E-4 r0=6.334 { 1 81 } #!CB name="LJ C1 O81"
	interaction lennardjones f=4.349E-4 r0=5.266 { 7 81 } #!CB name="LJ H7 O81"
	interaction lennardjones f=6.644E-4 r0=6.334 { 1 84 } #!CB name="LJ C1 O84"
	interaction lennardjones f=4.349E-4 r0=5.266 { 7 84 } #!CB name="LJ H7 O84"
	interaction lennardjones f=6.644E-4 r0=6.334 { 1 87 } #!CB name="LJ C1 O87"
	interaction lennardjones f=4.349E-4 r0=5.266 { 7 87 } #!CB name="LJ H7 O87"
	interaction lennardjones f=6.644E-4 r0=6.334 { 1 90 } #!CB name="LJ C1 O90"
	interaction lennardjones f=4.349E-4 r0=5.266 { 7 90 } #!CB name="LJ H7 O90"
	interaction lennardjones f=6.644E-4 r0=6.334 { 1 93 } #!CB name="LJ C1 O93"
	interaction lennardjones f=4.349E-4 r0=5.266 { 7 93 } #!CB name="LJ H7 O93"
	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 39 } #!CB name="LJ C2 O39"
	interaction lennardjones f=4.349E-4 r0=5.266 { 8 39 } #!CB name="LJ H8 O39"
	interaction lennardjones f=6.644E-4 r0=6.334 { 2 42 } #!CB name="LJ C2 O42"
	interaction lennardjones f=4.349E-4 r0=5.266 { 8 42 } #!CB name="LJ H8 O42"
	interaction lennardjones f=6.644E-4 r0=6.334 { 2 45 } #!CB name="LJ C2 O45"
	interaction lennardjones f=4.349E-4 r0=5.266 { 8 45 } #!CB name="LJ H8 O45"
	interaction lennardjones f=6.644E-4 r0=6.334 { 2 48 } #!CB name="LJ C2 O48"
	interaction lennardjones f=4.349E-4 r0=5.266 { 8 48 } #!CB name="LJ H8 O48"
	interaction lennardjones f=6.644E-4 r0=6.334 { 2 51 } #!CB name="LJ C2 O51"
	interaction lennardjones f=4.349E-4 r0=5.266 { 8 51 } #!CB name="LJ H8 O51"
	interaction lennardjones f=6.644E-4 r0=6.334 { 2 54 } #!CB name="LJ C2 O54"
	interaction lennardjones f=4.349E-4 r0=5.266 { 8 54 } #!CB name="LJ H8 O54"
	interaction lennardjones f=6.644E-4 r0=6.334 { 2 57 } #!CB name="LJ C2 O57"
	interaction lennardjones f=4.349E-4 r0=5.266 { 8 57 } #!CB name="LJ H8 O57"
	interaction lennardjones f=6.644E-4 r0=6.334 { 2 60 } #!CB name="LJ C2 O60"
	interaction lennardjones f=4.349E-4 r0=5.266 { 8 60 } #!CB name="LJ H8 O60"
	interaction lennardjones f=6.644E-4 r0=6.334 { 2 63 } #!CB name="LJ C2 O63"
	interaction lennardjones f=4.349E-4 r0=5.266 { 8 63 } #!CB name="LJ H8 O63"
	interaction lennardjones f=6.644E-4 r0=6.334 { 2 66 } #!CB name="LJ C2 O66"
	interaction lennardjones f=4.349E-4 r0=5.266 { 8 66 } #!CB name="LJ H8 O66"
	interaction lennardjones f=6.644E-4 r0=6.334 { 2 69 } #!CB name="LJ C2 O69"
	interaction lennardjones f=4.349E-4 r0=5.266 { 8 69 } #!CB name="LJ H8 O69"
	interaction lennardjones f=6.644E-4 r0=6.334 { 2 72 } #!CB name="LJ C2 O72"
	interaction lennardjones f=4.349E-4 r0=5.266 { 8 72 } #!CB name="LJ H8 O72"
	interaction lennardjones f=6.644E-4 r0=6.334 { 2 75 } #!CB name="LJ C2 O75"
	interaction lennardjones f=4.349E-4 r0=5.266 { 8 75 } #!CB name="LJ H8 O75"
	interaction lennardjones f=6.644E-4 r0=6.334 { 2 78 } #!CB name="LJ C2 O78"
	interaction lennardjones f=4.349E-4 r0=5.266 { 8 78 } #!CB name="LJ H8 O78"
	interaction lennardjones f=6.644E-4 r0=6.334 { 2 81 } #!CB name="LJ C2 O81"
	interaction lennardjones f=4.349E-4 r0=5.266 { 8 81 } #!CB name="LJ H8 O81"
	interaction lennardjones f=6.644E-4 r0=6.334 { 2 84 } #!CB name="LJ C2 O84"
	interaction lennardjones f=4.349E-4 r0=5.266 { 8 84 } #!CB name="LJ H8 O84"
	interaction lennardjones f=6.644E-4 r0=6.334 { 2 87 } #!CB name="LJ C2 O87"
	interaction lennardjones f=4.349E-4 r0=5.266 { 8 87 } #!CB name="LJ H8 O87"
	interaction lennardjones f=6.644E-4 r0=6.334 { 2 90 } #!CB name="LJ C2 O90"
	interaction lennardjones f=4.349E-4 r0=5.266 { 8 90 } #!CB name="LJ H8 O90"
	interaction lennardjones f=6.644E-4 r0=6.334 { 2 93 } #!CB name="LJ C2 O93"
	interaction lennardjones f=4.349E-4 r0=5.266 { 8 93 } #!CB name="LJ H8 O93"
	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 39 } #!CB name="LJ C3 O39"
	interaction lennardjones f=4.349E-4 r0=5.266 { 9 39 } #!CB name="LJ H9 O39"
	interaction lennardjones f=6.644E-4 r0=6.334 { 3 42 } #!CB name="LJ C3 O42"
	interaction lennardjones f=4.349E-4 r0=5.266 { 9 42 } #!CB name="LJ H9 O42"
	interaction lennardjones f=6.644E-4 r0=6.334 { 3 45 } #!CB name="LJ C3 O45"
	interaction lennardjones f=4.349E-4 r0=5.266 { 9 45 } #!CB name="LJ H9 O45"
	interaction lennardjones f=6.644E-4 r0=6.334 { 3 48 } #!CB name="LJ C3 O48"
	interaction lennardjones f=4.349E-4 r0=5.266 { 9 48 } #!CB name="LJ H9 O48"
	interaction lennardjones f=6.644E-4 r0=6.334 { 3 51 } #!CB name="LJ C3 O51"
	interaction lennardjones f=4.349E-4 r0=5.266 { 9 51 } #!CB name="LJ H9 O51"
	interaction lennardjones f=6.644E-4 r0=6.334 { 3 54 } #!CB name="LJ C3 O54"
	interaction lennardjones f=4.349E-4 r0=5.266 { 9 54 } #!CB name="LJ H9 O54"
	interaction lennardjones f=6.644E-4 r0=6.334 { 3 57 } #!CB name="LJ C3 O57"
	interaction lennardjones f=4.349E-4 r0=5.266 { 9 57 } #!CB name="LJ H9 O57"
	interaction lennardjones f=6.644E-4 r0=6.334 { 3 60 } #!CB name="LJ C3 O60"
	interaction lennardjones f=4.349E-4 r0=5.266 { 9 60 } #!CB name="LJ H9 O60"
	interaction lennardjones f=6.644E-4 r0=6.334 { 3 63 } #!CB name="LJ C3 O63"
	interaction lennardjones f=4.349E-4 r0=5.266 { 9 63 } #!CB name="LJ H9 O63"
	interaction lennardjones f=6.644E-4 r0=6.334 { 3 66 } #!CB name="LJ C3 O66"
	interaction lennardjones f=4.349E-4 r0=5.266 { 9 66 } #!CB name="LJ H9 O66"
	interaction lennardjones f=6.644E-4 r0=6.334 { 3 69 } #!CB name="LJ C3 O69"
	interaction lennardjones f=4.349E-4 r0=5.266 { 9 69 } #!CB name="LJ H9 O69"
	interaction lennardjones f=6.644E-4 r0=6.334 { 3 72 } #!CB name="LJ C3 O72"
	interaction lennardjones f=4.349E-4 r0=5.266 { 9 72 } #!CB name="LJ H9 O72"
	interaction lennardjones f=6.644E-4 r0=6.334 { 3 75 } #!CB name="LJ C3 O75"
	interaction lennardjones f=4.349E-4 r0=5.266 { 9 75 } #!CB name="LJ H9 O75"
	interaction lennardjones f=6.644E-4 r0=6.334 { 3 78 } #!CB name="LJ C3 O78"
	interaction lennardjones f=4.349E-4 r0=5.266 { 9 78 } #!CB name="LJ H9 O78"
	interaction lennardjones f=6.644E-4 r0=6.334 { 3 81 } #!CB name="LJ C3 O81"
	interaction lennardjones f=4.349E-4 r0=5.266 { 9 81 } #!CB name="LJ H9 O81"
	interaction lennardjones f=6.644E-4 r0=6.334 { 3 84 } #!CB name="LJ C3 O84"
	interaction lennardjones f=4.349E-4 r0=5.266 { 9 84 } #!CB name="LJ H9 O84"
	interaction lennardjones f=6.644E-4 r0=6.334 { 3 87 } #!CB name="LJ C3 O87"
	interaction lennardjones f=4.349E-4 r0=5.266 { 9 87 } #!CB name="LJ H9 O87"
	interaction lennardjones f=6.644E-4 r0=6.334 { 3 90 } #!CB name="LJ C3 O90"
	interaction lennardjones f=4.349E-4 r0=5.266 { 9 90 } #!CB name="LJ H9 O90"
	interaction lennardjones f=6.644E-4 r0=6.334 { 3 93 } #!CB name="LJ C3 O93"
	interaction lennardjones f=4.349E-4 r0=5.266 { 9 93 } #!CB name="LJ H9 O93"
	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 39 } #!CB name="LJ C4 O39"
	interaction lennardjones f=4.349E-4 r0=5.266 { 10 39 } #!CB name="LJ H10 O39"
	interaction lennardjones f=6.644E-4 r0=6.334 { 4 42 } #!CB name="LJ C4 O42"
	interaction lennardjones f=4.349E-4 r0=5.266 { 10 42 } #!CB name="LJ H10 O42"
	interaction lennardjones f=6.644E-4 r0=6.334 { 4 45 } #!CB name="LJ C4 O45"
	interaction lennardjones f=4.349E-4 r0=5.266 { 10 45 } #!CB name="LJ H10 O45"
	interaction lennardjones f=6.644E-4 r0=6.334 { 4 48 } #!CB name="LJ C4 O48"
	interaction lennardjones f=4.349E-4 r0=5.266 { 10 48 } #!CB name="LJ H10 O48"
	interaction lennardjones f=6.644E-4 r0=6.334 { 4 51 } #!CB name="LJ C4 O51"
	interaction lennardjones f=4.349E-4 r0=5.266 { 10 51 } #!CB name="LJ H10 O51"
	interaction lennardjones f=6.644E-4 r0=6.334 { 4 54 } #!CB name="LJ C4 O54"
	interaction lennardjones f=4.349E-4 r0=5.266 { 10 54 } #!CB name="LJ H10 O54"
	interaction lennardjones f=6.644E-4 r0=6.334 { 4 57 } #!CB name="LJ C4 O57"
	interaction lennardjones f=4.349E-4 r0=5.266 { 10 57 } #!CB name="LJ H10 O57"
	interaction lennardjones f=6.644E-4 r0=6.334 { 4 60 } #!CB name="LJ C4 O60"
	interaction lennardjones f=4.349E-4 r0=5.266 { 10 60 } #!CB name="LJ H10 O60"
	interaction lennardjones f=6.644E-4 r0=6.334 { 4 63 } #!CB name="LJ C4 O63"
	interaction lennardjones f=4.349E-4 r0=5.266 { 10 63 } #!CB name="LJ H10 O63"
	interaction lennardjones f=6.644E-4 r0=6.334 { 4 66 } #!CB name="LJ C4 O66"
	interaction lennardjones f=4.349E-4 r0=5.266 { 10 66 } #!CB name="LJ H10 O66"
	interaction lennardjones f=6.644E-4 r0=6.334 { 4 69 } #!CB name="LJ C4 O69"
	interaction lennardjones f=4.349E-4 r0=5.266 { 10 69 } #!CB name="LJ H10 O69"
	interaction lennardjones f=6.644E-4 r0=6.334 { 4 72 } #!CB name="LJ C4 O72"
	interaction lennardjones f=4.349E-4 r0=5.266 { 10 72 } #!CB name="LJ H10 O72"
	interaction lennardjones f=6.644E-4 r0=6.334 { 4 75 } #!CB name="LJ C4 O75"
	interaction lennardjones f=4.349E-4 r0=5.266 { 10 75 } #!CB name="LJ H10 O75"
	interaction lennardjones f=6.644E-4 r0=6.334 { 4 78 } #!CB name="LJ C4 O78"
	interaction lennardjones f=4.349E-4 r0=5.266 { 10 78 } #!CB name="LJ H10 O78"
	interaction lennardjones f=6.644E-4 r0=6.334 { 4 81 } #!CB name="LJ C4 O81"
	interaction lennardjones f=4.349E-4 r0=5.266 { 10 81 } #!CB name="LJ H10 O81"
	interaction lennardjones f=6.644E-4 r0=6.334 { 4 84 } #!CB name="LJ C4 O84"
	interaction lennardjones f=4.349E-4 r0=5.266 { 10 84 } #!CB name="LJ H10 O84"
	interaction lennardjones f=6.644E-4 r0=6.334 { 4 87 } #!CB name="LJ C4 O87"
	interaction lennardjones f=4.349E-4 r0=5.266 { 10 87 } #!CB name="LJ H10 O87"
	interaction lennardjones f=6.644E-4 r0=6.334 { 4 90 } #!CB name="LJ C4 O90"
	interaction lennardjones f=4.349E-4 r0=5.266 { 10 90 } #!CB name="LJ H10 O90"
	interaction lennardjones f=6.644E-4 r0=6.334 { 4 93 } #!CB name="LJ C4 O93"
	interaction lennardjones f=4.349E-4 r0=5.266 { 10 93 } #!CB name="LJ H10 O93"
	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 39 } #!CB name="LJ C5 O39"
	interaction lennardjones f=4.349E-4 r0=5.266 { 11 39 } #!CB name="LJ H11 O39"
	interaction lennardjones f=6.644E-4 r0=6.334 { 5 42 } #!CB name="LJ C5 O42"
	interaction lennardjones f=4.349E-4 r0=5.266 { 11 42 } #!CB name="LJ H11 O42"
	interaction lennardjones f=6.644E-4 r0=6.334 { 5 45 } #!CB name="LJ C5 O45"
	interaction lennardjones f=4.349E-4 r0=5.266 { 11 45 } #!CB name="LJ H11 O45"
	interaction lennardjones f=6.644E-4 r0=6.334 { 5 48 } #!CB name="LJ C5 O48"
	interaction lennardjones f=4.349E-4 r0=5.266 { 11 48 } #!CB name="LJ H11 O48"
	interaction lennardjones f=6.644E-4 r0=6.334 { 5 51 } #!CB name="LJ C5 O51"
	interaction lennardjones f=4.349E-4 r0=5.266 { 11 51 } #!CB name="LJ H11 O51"
	interaction lennardjones f=6.644E-4 r0=6.334 { 5 54 } #!CB name="LJ C5 O54"
	interaction lennardjones f=4.349E-4 r0=5.266 { 11 54 } #!CB name="LJ H11 O54"
	interaction lennardjones f=6.644E-4 r0=6.334 { 5 57 } #!CB name="LJ C5 O57"
	interaction lennardjones f=4.349E-4 r0=5.266 { 11 57 } #!CB name="LJ H11 O57"
	interaction lennardjones f=6.644E-4 r0=6.334 { 5 60 } #!CB name="LJ C5 O60"
	interaction lennardjones f=4.349E-4 r0=5.266 { 11 60 } #!CB name="LJ H11 O60"
	interaction lennardjones f=6.644E-4 r0=6.334 { 5 63 } #!CB name="LJ C5 O63"
	interaction lennardjones f=4.349E-4 r0=5.266 { 11 63 } #!CB name="LJ H11 O63"
	interaction lennardjones f=6.644E-4 r0=6.334 { 5 66 } #!CB name="LJ C5 O66"
	interaction lennardjones f=4.349E-4 r0=5.266 { 11 66 } #!CB name="LJ H11 O66"
	interaction lennardjones f=6.644E-4 r0=6.334 { 5 69 } #!CB name="LJ C5 O69"
	interaction lennardjones f=4.349E-4 r0=5.266 { 11 69 } #!CB name="LJ H11 O69"
	interaction lennardjones f=6.644E-4 r0=6.334 { 5 72 } #!CB name="LJ C5 O72"
	interaction lennardjones f=4.349E-4 r0=5.266 { 11 72 } #!CB name="LJ H11 O72"
	interaction lennardjones f=6.644E-4 r0=6.334 { 5 75 } #!CB name="LJ C5 O75"
	interaction lennardjones f=4.349E-4 r0=5.266 { 11 75 } #!CB name="LJ H11 O75"
	interaction lennardjones f=6.644E-4 r0=6.334 { 5 78 } #!CB name="LJ C5 O78"
	interaction lennardjones f=4.349E-4 r0=5.266 { 11 78 } #!CB name="LJ H11 O78"
	interaction lennardjones f=6.644E-4 r0=6.334 { 5 81 } #!CB name="LJ C5 O81"
	interaction lennardjones f=4.349E-4 r0=5.266 { 11 81 } #!CB name="LJ H11 O81"
	interaction lennardjones f=6.644E-4 r0=6.334 { 5 84 } #!CB name="LJ C5 O84"
	interaction lennardjones f=4.349E-4 r0=5.266 { 11 84 } #!CB name="LJ H11 O84"
	interaction lennardjones f=6.644E-4 r0=6.334 { 5 87 } #!CB name="LJ C5 O87"
	interaction lennardjones f=4.349E-4 r0=5.266 { 11 87 } #!CB name="LJ H11 O87"
	interaction lennardjones f=6.644E-4 r0=6.334 { 5 90 } #!CB name="LJ C5 O90"
	interaction lennardjones f=4.349E-4 r0=5.266 { 11 90 } #!CB name="LJ H11 O90"
	interaction lennardjones f=6.644E-4 r0=6.334 { 5 93 } #!CB name="LJ C5 O93"
	interaction lennardjones f=4.349E-4 r0=5.266 { 11 93 } #!CB name="LJ H11 O93"

# Constraints:

# Conformation:
	conformation n=10000 error=1.0E-4 maxstep=2.5

# Temperature:
	temperature k=3.166829E-6 constant=2.9315E+02

# Dynamics:
	dynamics dt=4.13411 tend=4.1341105461E7 t=0.0 error=3.67493E-6 snapshots=10

# End input file