| 1 |
molecule{ |
| 2 |
|
| 3 |
name = "simpleLipid_16"; |
| 4 |
nAtoms = 17; |
| 5 |
|
| 6 |
atom[0]{ |
| 7 |
type = "HEAD"; |
| 8 |
position( 0.0, 1.01479, 0.65901 ); |
| 9 |
orientation( 0.0, 0.0, 1.0 ); |
| 10 |
} |
| 11 |
atom[1]{ |
| 12 |
type = "CH2"; |
| 13 |
position( 0.0, -0.8387, -1.292 ); |
| 14 |
} |
| 15 |
atom[2]{ |
| 16 |
type = "CH2"; |
| 17 |
position( 0.0, 0.0, -2.584 ); |
| 18 |
} |
| 19 |
atom[3]{ |
| 20 |
type = "CH2"; |
| 21 |
position( 0.0, -0.8387, -3.876 ); |
| 22 |
} |
| 23 |
atom[4]{ |
| 24 |
type = "CH2"; |
| 25 |
position( 0.0, 0.0, -5.168 ); |
| 26 |
} |
| 27 |
atom[5]{ |
| 28 |
type = "CH2"; |
| 29 |
position( 0.0, -0.8387, -6.46 ); |
| 30 |
} |
| 31 |
atom[6]{ |
| 32 |
type = "CH2"; |
| 33 |
position( 0.0, 0.0, -7.752 ); |
| 34 |
} |
| 35 |
atom[7]{ |
| 36 |
type = "CH2"; |
| 37 |
position( 0.0, -0.8387, -9.044 ); |
| 38 |
} |
| 39 |
atom[8]{ |
| 40 |
type = "CH2"; |
| 41 |
position( 0.0, 0.0, -10.336 ); |
| 42 |
} |
| 43 |
atom[9]{ |
| 44 |
type = "CH2"; |
| 45 |
position( 0.0, -0.8387, -11.628 ); |
| 46 |
} |
| 47 |
atom[10]{ |
| 48 |
type = "CH2"; |
| 49 |
position( 0.0, 0.0, -12.92 ); |
| 50 |
} |
| 51 |
atom[11]{ |
| 52 |
type = "CH2"; |
| 53 |
position( 0.0, -0.8387, -14.212 ); |
| 54 |
} |
| 55 |
atom[12]{ |
| 56 |
type = "CH2"; |
| 57 |
position( 0.0, 0.0, -15.504 ); |
| 58 |
} |
| 59 |
atom[13]{ |
| 60 |
type = "CH2"; |
| 61 |
position( 0.0, -0.8387, -16.796 ); |
| 62 |
} |
| 63 |
atom[14]{ |
| 64 |
type = "CH2"; |
| 65 |
position( 0.0, 0.0, -18.08 ); |
| 66 |
} |
| 67 |
atom[15]{ |
| 68 |
type = "CH2"; |
| 69 |
position( 0.0, -0.8387, -19.38 ); |
| 70 |
} |
| 71 |
atom[16]{ |
| 72 |
type = "CH3"; |
| 73 |
position( 0.0, 0.0, -20.672 ); |
| 74 |
} |
| 75 |
|
| 76 |
nBonds = 16; |
| 77 |
|
| 78 |
bond[0]{ |
| 79 |
members( 0, 1 ); |
| 80 |
} |
| 81 |
bond[1]{ |
| 82 |
members( 1, 2 ); |
| 83 |
} |
| 84 |
bond[2]{ |
| 85 |
members( 2, 3 ); |
| 86 |
} |
| 87 |
bond[3]{ |
| 88 |
members( 3, 4 ); |
| 89 |
} |
| 90 |
bond[4]{ |
| 91 |
members( 4, 5 ); |
| 92 |
} |
| 93 |
bond[5]{ |
| 94 |
members( 5, 6 ); |
| 95 |
} |
| 96 |
bond[6]{ |
| 97 |
members( 6, 7 ); |
| 98 |
} |
| 99 |
bond[7]{ |
| 100 |
members( 7, 8 ); |
| 101 |
} |
| 102 |
bond[8]{ |
| 103 |
members( 8, 9 ); |
| 104 |
} |
| 105 |
bond[9]{ |
| 106 |
members( 9, 10 ); |
| 107 |
} |
| 108 |
bond[10]{ |
| 109 |
members( 10, 11 ); |
| 110 |
} |
| 111 |
bond[11]{ |
| 112 |
members( 11, 12 ); |
| 113 |
} |
| 114 |
bond[12]{ |
| 115 |
members( 12, 13 ); |
| 116 |
} |
| 117 |
bond[13]{ |
| 118 |
members( 13, 14 ); |
| 119 |
} |
| 120 |
bond[14]{ |
| 121 |
members( 14, 15 ); |
| 122 |
} |
| 123 |
bond[15]{ |
| 124 |
members( 15, 16 ); |
| 125 |
} |
| 126 |
|
| 127 |
nBends = 15; |
| 128 |
|
| 129 |
bend[0]{ |
| 130 |
members( 0, 1, 2 ); |
| 131 |
} |
| 132 |
bend[1]{ |
| 133 |
members( 1, 2, 3 ); |
| 134 |
} |
| 135 |
bend[2]{ |
| 136 |
members( 2, 3, 4 ); |
| 137 |
} |
| 138 |
bend[3]{ |
| 139 |
members( 3, 4, 5 ); |
| 140 |
} |
| 141 |
bend[4]{ |
| 142 |
members( 4, 5, 6 ); |
| 143 |
} |
| 144 |
bend[5]{ |
| 145 |
members( 5, 6, 7 ); |
| 146 |
} |
| 147 |
bend[6]{ |
| 148 |
members( 6, 7, 8 ); |
| 149 |
} |
| 150 |
bend[7]{ |
| 151 |
members( 7, 8, 9 ); |
| 152 |
} |
| 153 |
bend[8]{ |
| 154 |
members( 8, 9, 10 ); |
| 155 |
} |
| 156 |
bend[9]{ |
| 157 |
members( 9, 10, 11 ); |
| 158 |
} |
| 159 |
bend[10]{ |
| 160 |
members( 10, 11, 12 ); |
| 161 |
} |
| 162 |
bend[11]{ |
| 163 |
members( 11, 12, 13 ); |
| 164 |
} |
| 165 |
bend[12]{ |
| 166 |
members( 12, 13, 14 ); |
| 167 |
} |
| 168 |
bend[13]{ |
| 169 |
members( 13, 14, 15 ); |
| 170 |
} |
| 171 |
bend[14]{ |
| 172 |
members( 14, 15, 16 ); |
| 173 |
} |
| 174 |
|
| 175 |
nTorsions = 14; |
| 176 |
|
| 177 |
torsion[0]{ |
| 178 |
members( 0, 1, 2, 3 ); |
| 179 |
} |
| 180 |
torsion[1]{ |
| 181 |
members( 1, 2, 3, 4 ); |
| 182 |
} |
| 183 |
torsion[2]{ |
| 184 |
members( 2, 3, 4, 5 ); |
| 185 |
} |
| 186 |
torsion[3]{ |
| 187 |
members( 3, 4, 5, 6 ); |
| 188 |
} |
| 189 |
torsion[4]{ |
| 190 |
members( 4, 5, 6, 7 ); |
| 191 |
} |
| 192 |
torsion[5]{ |
| 193 |
members( 5, 6, 7, 8 ); |
| 194 |
} |
| 195 |
torsion[6]{ |
| 196 |
members( 6, 7, 8, 9 ); |
| 197 |
} |
| 198 |
torsion[7]{ |
| 199 |
members( 7, 8, 9, 10 ); |
| 200 |
} |
| 201 |
torsion[8]{ |
| 202 |
members( 8, 9, 10, 11 ); |
| 203 |
} |
| 204 |
torsion[9]{ |
| 205 |
members( 9, 10, 11, 12 ); |
| 206 |
} |
| 207 |
torsion[10]{ |
| 208 |
members( 10, 11, 12, 13 ); |
| 209 |
} |
| 210 |
torsion[11]{ |
| 211 |
members( 11, 12, 13, 14 ); |
| 212 |
} |
| 213 |
torsion[12]{ |
| 214 |
members( 12, 13, 14, 15 ); |
| 215 |
} |
| 216 |
torsion[13]{ |
| 217 |
members( 13, 14, 15, 16 ); |
| 218 |
} |
| 219 |
} |
| 220 |
|
