LAMMPS data file. CGCMM style. atom_style full generated by VMD/TopoTools v1.2 on Fri Aug 29 01:10:50 EDT 2014 384 atoms 336 bonds 576 angles 432 dihedrals 0 impropers 2 atom types 2 bond types 2 angle types 1 dihedral types 0 improper types -7.769275 8.211525 xlo xhi -8.464599 8.422600 ylo yhi -7.474500 7.474500 zlo zhi # Pair Coeffs # # 1 CT # 2 HC # Bond Coeffs # # 1 CT-CT # 2 CT-HC # Angle Coeffs # # 1 CT-CT-HC # 2 HC-CT-HC # Dihedral Coeffs # # 1 HC-CT-CT-HC Masses 1 12.011000 # CT 2 1.008000 # HC Atoms 1 1 1 -0.180000 -5.992675 -6.332700 -5.748000 # CT ALK 2 1 1 -0.180000 -5.992675 -6.332700 -4.218000 # CT ALK 3 1 2 0.060000 -4.955675 -6.332700 -6.115000 # HC ALK 4 1 2 0.060000 -6.511675 -5.434700 -6.115000 # HC ALK 5 1 2 0.060000 -6.511675 -7.230700 -6.115000 # HC ALK 6 1 2 0.060000 -4.959675 -6.242700 -3.851000 # HC ALK 7 1 2 0.060000 -6.430675 -7.272700 -3.851000 # HC ALK 8 1 2 0.060000 -6.587675 -5.482700 -3.851000 # HC ALK 9 1 1 -0.180000 -5.992675 -6.332700 -0.765000 # CT ALK 10 1 1 -0.180000 -5.992675 -6.332700 0.765000 # CT ALK 11 1 2 0.060000 -4.955675 -6.332700 -1.132000 # HC ALK 12 1 2 0.060000 -6.511675 -5.434700 -1.132000 # HC ALK 13 1 2 0.060000 -6.511675 -7.230700 -1.132000 # HC ALK 14 1 2 0.060000 -4.959675 -6.242700 1.132000 # HC ALK 15 1 2 0.060000 -6.430675 -7.272700 1.132000 # HC ALK 16 1 2 0.060000 -6.587675 -5.482700 1.132000 # HC ALK 17 1 1 -0.180000 -5.992675 -6.332700 4.218000 # CT ALK 18 1 1 -0.180000 -5.992675 -6.332700 5.748000 # CT ALK 19 1 2 0.060000 -4.955675 -6.332700 3.851000 # HC ALK 20 1 2 0.060000 -6.511675 -5.434700 3.851000 # HC ALK 21 1 2 0.060000 -6.511675 -7.230700 3.851000 # HC ALK 22 1 2 0.060000 -4.959675 -6.242700 6.115000 # HC ALK 23 1 2 0.060000 -6.430675 -7.272700 6.115000 # HC ALK 24 1 2 0.060000 -6.587675 -5.482700 6.115000 # HC ALK 25 1 1 -0.180000 -5.992675 -2.110900 -5.748000 # CT ALK 26 1 1 -0.180000 -5.992675 -2.110900 -4.218000 # CT ALK 27 1 2 0.060000 -4.955675 -2.110900 -6.115000 # HC ALK 28 1 2 0.060000 -6.511675 -1.212900 -6.115000 # HC ALK 29 1 2 0.060000 -6.511675 -3.008900 -6.115000 # HC ALK 30 1 2 0.060000 -4.959675 -2.020900 -3.851000 # HC ALK 31 1 2 0.060000 -6.430675 -3.050900 -3.851000 # HC ALK 32 1 2 0.060000 -6.587675 -1.260900 -3.851000 # HC ALK 33 1 1 -0.180000 -5.992675 -2.110900 -0.765000 # CT ALK 34 1 1 -0.180000 -5.992675 -2.110900 0.765000 # CT ALK 35 1 2 0.060000 -4.955675 -2.110900 -1.132000 # HC ALK 36 1 2 0.060000 -6.511675 -1.212900 -1.132000 # HC ALK 37 1 2 0.060000 -6.511675 -3.008900 -1.132000 # HC ALK 38 1 2 0.060000 -4.959675 -2.020900 1.132000 # HC ALK 39 1 2 0.060000 -6.430675 -3.050900 1.132000 # HC ALK 40 1 2 0.060000 -6.587675 -1.260900 1.132000 # HC ALK 41 1 1 -0.180000 -5.992675 -2.110900 4.218000 # CT ALK 42 1 1 -0.180000 -5.992675 -2.110900 5.748000 # CT ALK 43 1 2 0.060000 -4.955675 -2.110900 3.851000 # HC ALK 44 1 2 0.060000 -6.511675 -1.212900 3.851000 # HC ALK 45 1 2 0.060000 -6.511675 -3.008900 3.851000 # HC ALK 46 1 2 0.060000 -4.959675 -2.020900 6.115000 # HC ALK 47 1 2 0.060000 -6.430675 -3.050900 6.115000 # HC ALK 48 1 2 0.060000 -6.587675 -1.260900 6.115000 # HC ALK 49 1 1 -0.180000 -5.992675 2.110900 -5.748000 # CT ALK 50 1 1 -0.180000 -5.992675 2.110900 -4.218000 # CT ALK 51 1 2 0.060000 -4.955675 2.110900 -6.115000 # HC ALK 52 1 2 0.060000 -6.511675 3.008900 -6.115000 # HC ALK 53 1 2 0.060000 -6.511675 1.212900 -6.115000 # HC ALK 54 1 2 0.060000 -4.959675 2.200900 -3.851000 # HC ALK 55 1 2 0.060000 -6.430675 1.170900 -3.851000 # HC ALK 56 1 2 0.060000 -6.587675 2.960900 -3.851000 # HC ALK 57 1 1 -0.180000 -5.992675 2.110900 -0.765000 # CT ALK 58 1 1 -0.180000 -5.992675 2.110900 0.765000 # CT ALK 59 1 2 0.060000 -4.955675 2.110900 -1.132000 # HC ALK 60 1 2 0.060000 -6.511675 3.008900 -1.132000 # HC ALK 61 1 2 0.060000 -6.511675 1.212900 -1.132000 # HC ALK 62 1 2 0.060000 -4.959675 2.200900 1.132000 # HC ALK 63 1 2 0.060000 -6.430675 1.170900 1.132000 # HC ALK 64 1 2 0.060000 -6.587675 2.960900 1.132000 # HC ALK 65 1 1 -0.180000 -5.992675 2.110900 4.218000 # CT ALK 66 1 1 -0.180000 -5.992675 2.110900 5.748000 # CT ALK 67 1 2 0.060000 -4.955675 2.110900 3.851000 # HC ALK 68 1 2 0.060000 -6.511675 3.008900 3.851000 # HC ALK 69 1 2 0.060000 -6.511675 1.212900 3.851000 # HC ALK 70 1 2 0.060000 -4.959675 2.200900 6.115000 # HC ALK 71 1 2 0.060000 -6.430675 1.170900 6.115000 # HC ALK 72 1 2 0.060000 -6.587675 2.960900 6.115000 # HC ALK 73 1 1 -0.180000 -5.992675 6.332700 -5.748000 # CT ALK 74 1 1 -0.180000 -5.992675 6.332700 -4.218000 # CT ALK 75 1 2 0.060000 -4.955675 6.332700 -6.115000 # HC ALK 76 1 2 0.060000 -6.511675 7.230700 -6.115000 # HC ALK 77 1 2 0.060000 -6.511675 5.434700 -6.115000 # HC ALK 78 1 2 0.060000 -4.959675 6.422700 -3.851000 # HC ALK 79 1 2 0.060000 -6.430675 5.392700 -3.851000 # HC ALK 80 1 2 0.060000 -6.587675 7.182700 -3.851000 # HC ALK 81 1 1 -0.180000 -5.992675 6.332700 -0.765000 # CT ALK 82 1 1 -0.180000 -5.992675 6.332700 0.765000 # CT ALK 83 1 2 0.060000 -4.955675 6.332700 -1.132000 # HC ALK 84 1 2 0.060000 -6.511675 7.230700 -1.132000 # HC ALK 85 1 2 0.060000 -6.511675 5.434700 -1.132000 # HC ALK 86 1 2 0.060000 -4.959675 6.422700 1.132000 # HC ALK 87 1 2 0.060000 -6.430675 5.392700 1.132000 # HC ALK 88 1 2 0.060000 -6.587675 7.182700 1.132000 # HC ALK 89 1 1 -0.180000 -5.992675 6.332700 4.218000 # CT ALK 90 1 1 -0.180000 -5.992675 6.332700 5.748000 # CT ALK 91 1 2 0.060000 -4.955675 6.332700 3.851000 # HC ALK 92 1 2 0.060000 -6.511675 7.230700 3.851000 # HC ALK 93 1 2 0.060000 -6.511675 5.434700 3.851000 # HC ALK 94 1 2 0.060000 -4.959675 6.422700 6.115000 # HC ALK 95 1 2 0.060000 -6.430675 5.392700 6.115000 # HC ALK 96 1 2 0.060000 -6.587675 7.182700 6.115000 # HC ALK 97 1 1 -0.180000 -1.997475 -6.332700 -5.748000 # CT ALK 98 1 1 -0.180000 -1.997475 -6.332700 -4.218000 # CT ALK 99 1 2 0.060000 -0.960475 -6.332700 -6.115000 # HC ALK 100 1 2 0.060000 -2.516475 -5.434700 -6.115000 # HC ALK 101 1 2 0.060000 -2.516475 -7.230700 -6.115000 # HC ALK 102 1 2 0.060000 -0.964475 -6.242700 -3.851000 # HC ALK 103 1 2 0.060000 -2.435475 -7.272700 -3.851000 # HC ALK 104 1 2 0.060000 -2.592475 -5.482700 -3.851000 # HC ALK 105 1 1 -0.180000 -1.997475 -6.332700 -0.765000 # CT ALK 106 1 1 -0.180000 -1.997475 -6.332700 0.765000 # CT ALK 107 1 2 0.060000 -0.960475 -6.332700 -1.132000 # HC ALK 108 1 2 0.060000 -2.516475 -5.434700 -1.132000 # HC ALK 109 1 2 0.060000 -2.516475 -7.230700 -1.132000 # HC ALK 110 1 2 0.060000 -0.964475 -6.242700 1.132000 # HC ALK 111 1 2 0.060000 -2.435475 -7.272700 1.132000 # HC ALK 112 1 2 0.060000 -2.592475 -5.482700 1.132000 # HC ALK 113 1 1 -0.180000 -1.997475 -6.332700 4.218000 # CT ALK 114 1 1 -0.180000 -1.997475 -6.332700 5.748000 # CT ALK 115 1 2 0.060000 -0.960475 -6.332700 3.851000 # HC ALK 116 1 2 0.060000 -2.516475 -5.434700 3.851000 # HC ALK 117 1 2 0.060000 -2.516475 -7.230700 3.851000 # HC ALK 118 1 2 0.060000 -0.964475 -6.242700 6.115000 # HC ALK 119 1 2 0.060000 -2.435475 -7.272700 6.115000 # HC ALK 120 1 2 0.060000 -2.592475 -5.482700 6.115000 # HC ALK 121 1 1 -0.180000 -1.997475 -2.110900 -5.748000 # CT ALK 122 1 1 -0.180000 -1.997475 -2.110900 -4.218000 # CT ALK 123 1 2 0.060000 -0.960475 -2.110900 -6.115000 # HC ALK 124 1 2 0.060000 -2.516475 -1.212900 -6.115000 # HC ALK 125 1 2 0.060000 -2.516475 -3.008900 -6.115000 # HC ALK 126 1 2 0.060000 -0.964475 -2.020900 -3.851000 # HC ALK 127 1 2 0.060000 -2.435475 -3.050900 -3.851000 # HC ALK 128 1 2 0.060000 -2.592475 -1.260900 -3.851000 # HC ALK 129 1 1 -0.180000 -1.997475 -2.110900 -0.765000 # CT ALK 130 1 1 -0.180000 -1.997475 -2.110900 0.765000 # CT ALK 131 1 2 0.060000 -0.960475 -2.110900 -1.132000 # HC ALK 132 1 2 0.060000 -2.516475 -1.212900 -1.132000 # HC ALK 133 1 2 0.060000 -2.516475 -3.008900 -1.132000 # HC ALK 134 1 2 0.060000 -0.964475 -2.020900 1.132000 # HC ALK 135 1 2 0.060000 -2.435475 -3.050900 1.132000 # HC ALK 136 1 2 0.060000 -2.592475 -1.260900 1.132000 # HC ALK 137 1 1 -0.180000 -1.997475 -2.110900 4.218000 # CT ALK 138 1 1 -0.180000 -1.997475 -2.110900 5.748000 # CT ALK 139 1 2 0.060000 -0.960475 -2.110900 3.851000 # HC ALK 140 1 2 0.060000 -2.516475 -1.212900 3.851000 # HC ALK 141 1 2 0.060000 -2.516475 -3.008900 3.851000 # HC ALK 142 1 2 0.060000 -0.964475 -2.020900 6.115000 # HC ALK 143 1 2 0.060000 -2.435475 -3.050900 6.115000 # HC ALK 144 1 2 0.060000 -2.592475 -1.260900 6.115000 # HC ALK 145 1 1 -0.180000 -1.997475 2.110900 -5.748000 # CT ALK 146 1 1 -0.180000 -1.997475 2.110900 -4.218000 # CT ALK 147 1 2 0.060000 -0.960475 2.110900 -6.115000 # HC ALK 148 1 2 0.060000 -2.516475 3.008900 -6.115000 # HC ALK 149 1 2 0.060000 -2.516475 1.212900 -6.115000 # HC ALK 150 1 2 0.060000 -0.964475 2.200900 -3.851000 # HC ALK 151 1 2 0.060000 -2.435475 1.170900 -3.851000 # HC ALK 152 1 2 0.060000 -2.592475 2.960900 -3.851000 # HC ALK 153 1 1 -0.180000 -1.997475 2.110900 -0.765000 # CT ALK 154 1 1 -0.180000 -1.997475 2.110900 0.765000 # CT ALK 155 1 2 0.060000 -0.960475 2.110900 -1.132000 # HC ALK 156 1 2 0.060000 -2.516475 3.008900 -1.132000 # HC ALK 157 1 2 0.060000 -2.516475 1.212900 -1.132000 # HC ALK 158 1 2 0.060000 -0.964475 2.200900 1.132000 # HC ALK 159 1 2 0.060000 -2.435475 1.170900 1.132000 # HC ALK 160 1 2 0.060000 -2.592475 2.960900 1.132000 # HC ALK 161 1 1 -0.180000 -1.997475 2.110900 4.218000 # CT ALK 162 1 1 -0.180000 -1.997475 2.110900 5.748000 # CT ALK 163 1 2 0.060000 -0.960475 2.110900 3.851000 # HC ALK 164 1 2 0.060000 -2.516475 3.008900 3.851000 # HC ALK 165 1 2 0.060000 -2.516475 1.212900 3.851000 # HC ALK 166 1 2 0.060000 -0.964475 2.200900 6.115000 # HC ALK 167 1 2 0.060000 -2.435475 1.170900 6.115000 # HC ALK 168 1 2 0.060000 -2.592475 2.960900 6.115000 # HC ALK 169 1 1 -0.180000 -1.997475 6.332700 -5.748000 # CT ALK 170 1 1 -0.180000 -1.997475 6.332700 -4.218000 # CT ALK 171 1 2 0.060000 -0.960475 6.332700 -6.115000 # HC ALK 172 1 2 0.060000 -2.516475 7.230700 -6.115000 # HC ALK 173 1 2 0.060000 -2.516475 5.434700 -6.115000 # HC ALK 174 1 2 0.060000 -0.964475 6.422700 -3.851000 # HC ALK 175 1 2 0.060000 -2.435475 5.392700 -3.851000 # HC ALK 176 1 2 0.060000 -2.592475 7.182700 -3.851000 # HC ALK 177 1 1 -0.180000 -1.997475 6.332700 -0.765000 # CT ALK 178 1 1 -0.180000 -1.997475 6.332700 0.765000 # CT ALK 179 1 2 0.060000 -0.960475 6.332700 -1.132000 # HC ALK 180 1 2 0.060000 -2.516475 7.230700 -1.132000 # HC ALK 181 1 2 0.060000 -2.516475 5.434700 -1.132000 # HC ALK 182 1 2 0.060000 -0.964475 6.422700 1.132000 # HC ALK 183 1 2 0.060000 -2.435475 5.392700 1.132000 # HC ALK 184 1 2 0.060000 -2.592475 7.182700 1.132000 # HC ALK 185 1 1 -0.180000 -1.997475 6.332700 4.218000 # CT ALK 186 1 1 -0.180000 -1.997475 6.332700 5.748000 # CT ALK 187 1 2 0.060000 -0.960475 6.332700 3.851000 # HC ALK 188 1 2 0.060000 -2.516475 7.230700 3.851000 # HC ALK 189 1 2 0.060000 -2.516475 5.434700 3.851000 # HC ALK 190 1 2 0.060000 -0.964475 6.422700 6.115000 # HC ALK 191 1 2 0.060000 -2.435475 5.392700 6.115000 # HC ALK 192 1 2 0.060000 -2.592475 7.182700 6.115000 # HC ALK 193 1 1 -0.180000 1.997725 -6.332700 -5.748000 # CT ALK 194 1 1 -0.180000 1.997725 -6.332700 -4.218000 # CT ALK 195 1 2 0.060000 3.034725 -6.332700 -6.115000 # HC ALK 196 1 2 0.060000 1.478725 -5.434700 -6.115000 # HC ALK 197 1 2 0.060000 1.478725 -7.230700 -6.115000 # HC ALK 198 1 2 0.060000 3.030725 -6.242700 -3.851000 # HC ALK 199 1 2 0.060000 1.559725 -7.272700 -3.851000 # HC ALK 200 1 2 0.060000 1.402725 -5.482700 -3.851000 # HC ALK 201 1 1 -0.180000 1.997725 -6.332700 -0.765000 # CT ALK 202 1 1 -0.180000 1.997725 -6.332700 0.765000 # CT ALK 203 1 2 0.060000 3.034725 -6.332700 -1.132000 # HC ALK 204 1 2 0.060000 1.478725 -5.434700 -1.132000 # HC ALK 205 1 2 0.060000 1.478725 -7.230700 -1.132000 # HC ALK 206 1 2 0.060000 3.030725 -6.242700 1.132000 # HC ALK 207 1 2 0.060000 1.559725 -7.272700 1.132000 # HC ALK 208 1 2 0.060000 1.402725 -5.482700 1.132000 # HC ALK 209 1 1 -0.180000 1.997725 -6.332700 4.218000 # CT ALK 210 1 1 -0.180000 1.997725 -6.332700 5.748000 # CT ALK 211 1 2 0.060000 3.034725 -6.332700 3.851000 # HC ALK 212 1 2 0.060000 1.478725 -5.434700 3.851000 # HC ALK 213 1 2 0.060000 1.478725 -7.230700 3.851000 # HC ALK 214 1 2 0.060000 3.030725 -6.242700 6.115000 # HC ALK 215 1 2 0.060000 1.559725 -7.272700 6.115000 # HC ALK 216 1 2 0.060000 1.402725 -5.482700 6.115000 # HC ALK 217 1 1 -0.180000 1.997725 -2.110900 -5.748000 # CT ALK 218 1 1 -0.180000 1.997725 -2.110900 -4.218000 # CT ALK 219 1 2 0.060000 3.034725 -2.110900 -6.115000 # HC ALK 220 1 2 0.060000 1.478725 -1.212900 -6.115000 # HC ALK 221 1 2 0.060000 1.478725 -3.008900 -6.115000 # HC ALK 222 1 2 0.060000 3.030725 -2.020900 -3.851000 # HC ALK 223 1 2 0.060000 1.559725 -3.050900 -3.851000 # HC ALK 224 1 2 0.060000 1.402725 -1.260900 -3.851000 # HC ALK 225 1 1 -0.180000 1.997725 -2.110900 -0.765000 # CT ALK 226 1 1 -0.180000 1.997725 -2.110900 0.765000 # CT ALK 227 1 2 0.060000 3.034725 -2.110900 -1.132000 # HC ALK 228 1 2 0.060000 1.478725 -1.212900 -1.132000 # HC ALK 229 1 2 0.060000 1.478725 -3.008900 -1.132000 # HC ALK 230 1 2 0.060000 3.030725 -2.020900 1.132000 # HC ALK 231 1 2 0.060000 1.559725 -3.050900 1.132000 # HC ALK 232 1 2 0.060000 1.402725 -1.260900 1.132000 # HC ALK 233 1 1 -0.180000 1.997725 -2.110900 4.218000 # CT ALK 234 1 1 -0.180000 1.997725 -2.110900 5.748000 # CT ALK 235 1 2 0.060000 3.034725 -2.110900 3.851000 # HC ALK 236 1 2 0.060000 1.478725 -1.212900 3.851000 # HC ALK 237 1 2 0.060000 1.478725 -3.008900 3.851000 # HC ALK 238 1 2 0.060000 3.030725 -2.020900 6.115000 # HC ALK 239 1 2 0.060000 1.559725 -3.050900 6.115000 # HC ALK 240 1 2 0.060000 1.402725 -1.260900 6.115000 # HC ALK 241 1 1 -0.180000 1.997725 2.110900 -5.748000 # CT ALK 242 1 1 -0.180000 1.997725 2.110900 -4.218000 # CT ALK 243 1 2 0.060000 3.034725 2.110900 -6.115000 # HC ALK 244 1 2 0.060000 1.478725 3.008900 -6.115000 # HC ALK 245 1 2 0.060000 1.478725 1.212900 -6.115000 # HC ALK 246 1 2 0.060000 3.030725 2.200900 -3.851000 # HC ALK 247 1 2 0.060000 1.559725 1.170900 -3.851000 # HC ALK 248 1 2 0.060000 1.402725 2.960900 -3.851000 # HC ALK 249 1 1 -0.180000 1.997725 2.110900 -0.765000 # CT ALK 250 1 1 -0.180000 1.997725 2.110900 0.765000 # CT ALK 251 1 2 0.060000 3.034725 2.110900 -1.132000 # HC ALK 252 1 2 0.060000 1.478725 3.008900 -1.132000 # HC ALK 253 1 2 0.060000 1.478725 1.212900 -1.132000 # HC ALK 254 1 2 0.060000 3.030725 2.200900 1.132000 # HC ALK 255 1 2 0.060000 1.559725 1.170900 1.132000 # HC ALK 256 1 2 0.060000 1.402725 2.960900 1.132000 # HC ALK 257 1 1 -0.180000 1.997725 2.110900 4.218000 # CT ALK 258 1 1 -0.180000 1.997725 2.110900 5.748000 # CT ALK 259 1 2 0.060000 3.034725 2.110900 3.851000 # HC ALK 260 1 2 0.060000 1.478725 3.008900 3.851000 # HC ALK 261 1 2 0.060000 1.478725 1.212900 3.851000 # HC ALK 262 1 2 0.060000 3.030725 2.200900 6.115000 # HC ALK 263 1 2 0.060000 1.559725 1.170900 6.115000 # HC ALK 264 1 2 0.060000 1.402725 2.960900 6.115000 # HC ALK 265 1 1 -0.180000 1.997725 6.332700 -5.748000 # CT ALK 266 1 1 -0.180000 1.997725 6.332700 -4.218000 # CT ALK 267 1 2 0.060000 3.034725 6.332700 -6.115000 # HC ALK 268 1 2 0.060000 1.478725 7.230700 -6.115000 # HC ALK 269 1 2 0.060000 1.478725 5.434700 -6.115000 # HC ALK 270 1 2 0.060000 3.030725 6.422700 -3.851000 # HC ALK 271 1 2 0.060000 1.559725 5.392700 -3.851000 # HC ALK 272 1 2 0.060000 1.402725 7.182700 -3.851000 # HC ALK 273 1 1 -0.180000 1.997725 6.332700 -0.765000 # CT ALK 274 1 1 -0.180000 1.997725 6.332700 0.765000 # CT ALK 275 1 2 0.060000 3.034725 6.332700 -1.132000 # HC ALK 276 1 2 0.060000 1.478725 7.230700 -1.132000 # HC ALK 277 1 2 0.060000 1.478725 5.434700 -1.132000 # HC ALK 278 1 2 0.060000 3.030725 6.422700 1.132000 # HC ALK 279 1 2 0.060000 1.559725 5.392700 1.132000 # HC ALK 280 1 2 0.060000 1.402725 7.182700 1.132000 # HC ALK 281 1 1 -0.180000 1.997725 6.332700 4.218000 # CT ALK 282 1 1 -0.180000 1.997725 6.332700 5.748000 # CT ALK 283 1 2 0.060000 3.034725 6.332700 3.851000 # HC ALK 284 1 2 0.060000 1.478725 7.230700 3.851000 # HC ALK 285 1 2 0.060000 1.478725 5.434700 3.851000 # HC ALK 286 1 2 0.060000 3.030725 6.422700 6.115000 # HC ALK 287 1 2 0.060000 1.559725 5.392700 6.115000 # HC ALK 288 1 2 0.060000 1.402725 7.182700 6.115000 # HC ALK 289 1 1 -0.180000 5.992925 -6.332700 -5.748000 # CT ALK 290 1 1 -0.180000 5.992925 -6.332700 -4.218000 # CT ALK 291 1 2 0.060000 7.029925 -6.332700 -6.115000 # HC ALK 292 1 2 0.060000 5.473925 -5.434700 -6.115000 # HC ALK 293 1 2 0.060000 5.473925 -7.230700 -6.115000 # HC ALK 294 1 2 0.060000 7.025925 -6.242700 -3.851000 # HC ALK 295 1 2 0.060000 5.554925 -7.272700 -3.851000 # HC ALK 296 1 2 0.060000 5.397925 -5.482700 -3.851000 # HC ALK 297 1 1 -0.180000 5.992925 -6.332700 -0.765000 # CT ALK 298 1 1 -0.180000 5.992925 -6.332700 0.765000 # CT ALK 299 1 2 0.060000 7.029925 -6.332700 -1.132000 # HC ALK 300 1 2 0.060000 5.473925 -5.434700 -1.132000 # HC ALK 301 1 2 0.060000 5.473925 -7.230700 -1.132000 # HC ALK 302 1 2 0.060000 7.025925 -6.242700 1.132000 # HC ALK 303 1 2 0.060000 5.554925 -7.272700 1.132000 # HC ALK 304 1 2 0.060000 5.397925 -5.482700 1.132000 # HC ALK 305 1 1 -0.180000 5.992925 -6.332700 4.218000 # CT ALK 306 1 1 -0.180000 5.992925 -6.332700 5.748000 # CT ALK 307 1 2 0.060000 7.029925 -6.332700 3.851000 # HC ALK 308 1 2 0.060000 5.473925 -5.434700 3.851000 # HC ALK 309 1 2 0.060000 5.473925 -7.230700 3.851000 # HC ALK 310 1 2 0.060000 7.025925 -6.242700 6.115000 # HC ALK 311 1 2 0.060000 5.554925 -7.272700 6.115000 # HC ALK 312 1 2 0.060000 5.397925 -5.482700 6.115000 # HC ALK 313 1 1 -0.180000 5.992925 -2.110900 -5.748000 # CT ALK 314 1 1 -0.180000 5.992925 -2.110900 -4.218000 # CT ALK 315 1 2 0.060000 7.029925 -2.110900 -6.115000 # HC ALK 316 1 2 0.060000 5.473925 -1.212900 -6.115000 # HC ALK 317 1 2 0.060000 5.473925 -3.008900 -6.115000 # HC ALK 318 1 2 0.060000 7.025925 -2.020900 -3.851000 # HC ALK 319 1 2 0.060000 5.554925 -3.050900 -3.851000 # HC ALK 320 1 2 0.060000 5.397925 -1.260900 -3.851000 # HC ALK 321 1 1 -0.180000 5.992925 -2.110900 -0.765000 # CT ALK 322 1 1 -0.180000 5.992925 -2.110900 0.765000 # CT ALK 323 1 2 0.060000 7.029925 -2.110900 -1.132000 # HC ALK 324 1 2 0.060000 5.473925 -1.212900 -1.132000 # HC ALK 325 1 2 0.060000 5.473925 -3.008900 -1.132000 # HC ALK 326 1 2 0.060000 7.025925 -2.020900 1.132000 # HC ALK 327 1 2 0.060000 5.554925 -3.050900 1.132000 # HC ALK 328 1 2 0.060000 5.397925 -1.260900 1.132000 # HC ALK 329 1 1 -0.180000 5.992925 -2.110900 4.218000 # CT ALK 330 1 1 -0.180000 5.992925 -2.110900 5.748000 # CT ALK 331 1 2 0.060000 7.029925 -2.110900 3.851000 # HC ALK 332 1 2 0.060000 5.473925 -1.212900 3.851000 # HC ALK 333 1 2 0.060000 5.473925 -3.008900 3.851000 # HC ALK 334 1 2 0.060000 7.025925 -2.020900 6.115000 # HC ALK 335 1 2 0.060000 5.554925 -3.050900 6.115000 # HC ALK 336 1 2 0.060000 5.397925 -1.260900 6.115000 # HC ALK 337 1 1 -0.180000 5.992925 2.110900 -5.748000 # CT ALK 338 1 1 -0.180000 5.992925 2.110900 -4.218000 # CT ALK 339 1 2 0.060000 7.029925 2.110900 -6.115000 # HC ALK 340 1 2 0.060000 5.473925 3.008900 -6.115000 # HC ALK 341 1 2 0.060000 5.473925 1.212900 -6.115000 # HC ALK 342 1 2 0.060000 7.025925 2.200900 -3.851000 # HC ALK 343 1 2 0.060000 5.554925 1.170900 -3.851000 # HC ALK 344 1 2 0.060000 5.397925 2.960900 -3.851000 # HC ALK 345 1 1 -0.180000 5.992925 2.110900 -0.765000 # CT ALK 346 1 1 -0.180000 5.992925 2.110900 0.765000 # CT ALK 347 1 2 0.060000 7.029925 2.110900 -1.132000 # HC ALK 348 1 2 0.060000 5.473925 3.008900 -1.132000 # HC ALK 349 1 2 0.060000 5.473925 1.212900 -1.132000 # HC ALK 350 1 2 0.060000 7.025925 2.200900 1.132000 # HC ALK 351 1 2 0.060000 5.554925 1.170900 1.132000 # HC ALK 352 1 2 0.060000 5.397925 2.960900 1.132000 # HC ALK 353 1 1 -0.180000 5.992925 2.110900 4.218000 # CT ALK 354 1 1 -0.180000 5.992925 2.110900 5.748000 # CT ALK 355 1 2 0.060000 7.029925 2.110900 3.851000 # HC ALK 356 1 2 0.060000 5.473925 3.008900 3.851000 # HC ALK 357 1 2 0.060000 5.473925 1.212900 3.851000 # HC ALK 358 1 2 0.060000 7.025925 2.200900 6.115000 # HC ALK 359 1 2 0.060000 5.554925 1.170900 6.115000 # HC ALK 360 1 2 0.060000 5.397925 2.960900 6.115000 # HC ALK 361 1 1 -0.180000 5.992925 6.332700 -5.748000 # CT ALK 362 1 1 -0.180000 5.992925 6.332700 -4.218000 # CT ALK 363 1 2 0.060000 7.029925 6.332700 -6.115000 # HC ALK 364 1 2 0.060000 5.473925 7.230700 -6.115000 # HC ALK 365 1 2 0.060000 5.473925 5.434700 -6.115000 # HC ALK 366 1 2 0.060000 7.025925 6.422700 -3.851000 # HC ALK 367 1 2 0.060000 5.554925 5.392700 -3.851000 # HC ALK 368 1 2 0.060000 5.397925 7.182700 -3.851000 # HC ALK 369 1 1 -0.180000 5.992925 6.332700 -0.765000 # CT ALK 370 1 1 -0.180000 5.992925 6.332700 0.765000 # CT ALK 371 1 2 0.060000 7.029925 6.332700 -1.132000 # HC ALK 372 1 2 0.060000 5.473925 7.230700 -1.132000 # HC ALK 373 1 2 0.060000 5.473925 5.434700 -1.132000 # HC ALK 374 1 2 0.060000 7.025925 6.422700 1.132000 # HC ALK 375 1 2 0.060000 5.554925 5.392700 1.132000 # HC ALK 376 1 2 0.060000 5.397925 7.182700 1.132000 # HC ALK 377 1 1 -0.180000 5.992925 6.332700 4.218000 # CT ALK 378 1 1 -0.180000 5.992925 6.332700 5.748000 # CT ALK 379 1 2 0.060000 7.029925 6.332700 3.851000 # HC ALK 380 1 2 0.060000 5.473925 7.230700 3.851000 # HC ALK 381 1 2 0.060000 5.473925 5.434700 3.851000 # HC ALK 382 1 2 0.060000 7.025925 6.422700 6.115000 # HC ALK 383 1 2 0.060000 5.554925 5.392700 6.115000 # HC ALK 384 1 2 0.060000 5.397925 7.182700 6.115000 # HC ALK Bonds 1 2 1 3 2 2 1 5 3 2 1 4 4 1 1 2 5 2 2 6 6 2 2 7 7 2 2 8 8 2 9 11 9 2 9 13 10 2 9 12 11 1 9 10 12 2 10 14 13 2 10 15 14 2 10 16 15 2 17 19 16 2 17 21 17 2 17 20 18 1 17 18 19 2 18 22 20 2 18 23 21 2 18 24 22 2 25 27 23 2 25 29 24 2 25 28 25 1 25 26 26 2 26 30 27 2 26 31 28 2 26 32 29 2 33 35 30 2 33 37 31 2 33 36 32 1 33 34 33 2 34 38 34 2 34 39 35 2 34 40 36 2 41 43 37 2 41 45 38 2 41 44 39 1 41 42 40 2 42 46 41 2 42 47 42 2 42 48 43 2 49 51 44 2 49 53 45 2 49 52 46 1 49 50 47 2 50 54 48 2 50 55 49 2 50 56 50 2 57 59 51 2 57 61 52 2 57 60 53 1 57 58 54 2 58 62 55 2 58 63 56 2 58 64 57 2 65 67 58 2 65 69 59 2 65 68 60 1 65 66 61 2 66 70 62 2 66 71 63 2 66 72 64 2 73 75 65 2 73 77 66 2 73 76 67 1 73 74 68 2 74 78 69 2 74 79 70 2 74 80 71 2 81 83 72 2 81 85 73 2 81 84 74 1 81 82 75 2 82 86 76 2 82 87 77 2 82 88 78 2 89 91 79 2 89 93 80 2 89 92 81 1 89 90 82 2 90 94 83 2 90 95 84 2 90 96 85 2 97 99 86 2 97 101 87 2 97 100 88 1 97 98 89 2 98 102 90 2 98 103 91 2 98 104 92 2 105 107 93 2 105 109 94 2 105 108 95 1 105 106 96 2 106 110 97 2 106 111 98 2 106 112 99 2 113 115 100 2 113 117 101 2 113 116 102 1 113 114 103 2 114 118 104 2 114 119 105 2 114 120 106 2 121 123 107 2 121 125 108 2 121 124 109 1 121 122 110 2 122 126 111 2 122 127 112 2 122 128 113 2 129 131 114 2 129 133 115 2 129 132 116 1 129 130 117 2 130 134 118 2 130 135 119 2 130 136 120 2 137 139 121 2 137 141 122 2 137 140 123 1 137 138 124 2 138 142 125 2 138 143 126 2 138 144 127 2 145 147 128 2 145 149 129 2 145 148 130 1 145 146 131 2 146 150 132 2 146 151 133 2 146 152 134 2 153 155 135 2 153 157 136 2 153 156 137 1 153 154 138 2 154 158 139 2 154 159 140 2 154 160 141 2 161 163 142 2 161 165 143 2 161 164 144 1 161 162 145 2 162 166 146 2 162 167 147 2 162 168 148 2 169 171 149 2 169 173 150 2 169 172 151 1 169 170 152 2 170 174 153 2 170 175 154 2 170 176 155 2 177 179 156 2 177 181 157 2 177 180 158 1 177 178 159 2 178 182 160 2 178 183 161 2 178 184 162 2 185 187 163 2 185 189 164 2 185 188 165 1 185 186 166 2 186 190 167 2 186 191 168 2 186 192 169 2 193 195 170 2 193 197 171 2 193 196 172 1 193 194 173 2 194 198 174 2 194 199 175 2 194 200 176 2 201 203 177 2 201 205 178 2 201 204 179 1 201 202 180 2 202 206 181 2 202 207 182 2 202 208 183 2 209 211 184 2 209 213 185 2 209 212 186 1 209 210 187 2 210 214 188 2 210 215 189 2 210 216 190 2 217 219 191 2 217 221 192 2 217 220 193 1 217 218 194 2 218 222 195 2 218 223 196 2 218 224 197 2 225 227 198 2 225 229 199 2 225 228 200 1 225 226 201 2 226 230 202 2 226 231 203 2 226 232 204 2 233 235 205 2 233 237 206 2 233 236 207 1 233 234 208 2 234 238 209 2 234 239 210 2 234 240 211 2 241 243 212 2 241 245 213 2 241 244 214 1 241 242 215 2 242 246 216 2 242 247 217 2 242 248 218 2 249 251 219 2 249 253 220 2 249 252 221 1 249 250 222 2 250 254 223 2 250 255 224 2 250 256 225 2 257 259 226 2 257 261 227 2 257 260 228 1 257 258 229 2 258 262 230 2 258 263 231 2 258 264 232 2 265 267 233 2 265 269 234 2 265 268 235 1 265 266 236 2 266 270 237 2 266 271 238 2 266 272 239 2 273 275 240 2 273 277 241 2 273 276 242 1 273 274 243 2 274 278 244 2 274 279 245 2 274 280 246 2 281 283 247 2 281 285 248 2 281 284 249 1 281 282 250 2 282 286 251 2 282 287 252 2 282 288 253 2 289 291 254 2 289 293 255 2 289 292 256 1 289 290 257 2 290 294 258 2 290 295 259 2 290 296 260 2 297 299 261 2 297 301 262 2 297 300 263 1 297 298 264 2 298 302 265 2 298 303 266 2 298 304 267 2 305 307 268 2 305 309 269 2 305 308 270 1 305 306 271 2 306 310 272 2 306 311 273 2 306 312 274 2 313 315 275 2 313 317 276 2 313 316 277 1 313 314 278 2 314 318 279 2 314 319 280 2 314 320 281 2 321 323 282 2 321 325 283 2 321 324 284 1 321 322 285 2 322 326 286 2 322 327 287 2 322 328 288 2 329 331 289 2 329 333 290 2 329 332 291 1 329 330 292 2 330 334 293 2 330 335 294 2 330 336 295 2 337 339 296 2 337 341 297 2 337 340 298 1 337 338 299 2 338 342 300 2 338 343 301 2 338 344 302 2 345 347 303 2 345 349 304 2 345 348 305 1 345 346 306 2 346 350 307 2 346 351 308 2 346 352 309 2 353 355 310 2 353 357 311 2 353 356 312 1 353 354 313 2 354 358 314 2 354 359 315 2 354 360 316 2 361 363 317 2 361 365 318 2 361 364 319 1 361 362 320 2 362 366 321 2 362 367 322 2 362 368 323 2 369 371 324 2 369 373 325 2 369 372 326 1 369 370 327 2 370 374 328 2 370 375 329 2 370 376 330 2 377 379 331 2 377 381 332 2 377 380 333 1 377 378 334 2 378 382 335 2 378 383 336 2 378 384 Angles 1 2 3 1 5 2 2 3 1 4 3 1 2 1 3 4 2 4 1 5 5 1 2 1 5 6 1 2 1 4 7 1 1 2 6 8 1 1 2 7 9 1 1 2 8 10 2 6 2 7 11 2 6 2 8 12 2 7 2 8 13 2 11 9 13 14 2 11 9 12 15 1 10 9 11 16 2 12 9 13 17 1 10 9 13 18 1 10 9 12 19 1 9 10 14 20 1 9 10 15 21 1 9 10 16 22 2 14 10 15 23 2 14 10 16 24 2 15 10 16 25 2 19 17 21 26 2 19 17 20 27 1 18 17 19 28 2 20 17 21 29 1 18 17 21 30 1 18 17 20 31 1 17 18 22 32 1 17 18 23 33 1 17 18 24 34 2 22 18 23 35 2 22 18 24 36 2 23 18 24 37 2 27 25 29 38 2 27 25 28 39 1 26 25 27 40 2 28 25 29 41 1 26 25 29 42 1 26 25 28 43 1 25 26 30 44 1 25 26 31 45 1 25 26 32 46 2 30 26 31 47 2 30 26 32 48 2 31 26 32 49 2 35 33 37 50 2 35 33 36 51 1 34 33 35 52 2 36 33 37 53 1 34 33 37 54 1 34 33 36 55 1 33 34 38 56 1 33 34 39 57 1 33 34 40 58 2 38 34 39 59 2 38 34 40 60 2 39 34 40 61 2 43 41 45 62 2 43 41 44 63 1 42 41 43 64 2 44 41 45 65 1 42 41 45 66 1 42 41 44 67 1 41 42 46 68 1 41 42 47 69 1 41 42 48 70 2 46 42 47 71 2 46 42 48 72 2 47 42 48 73 2 51 49 53 74 2 51 49 52 75 1 50 49 51 76 2 52 49 53 77 1 50 49 53 78 1 50 49 52 79 1 49 50 54 80 1 49 50 55 81 1 49 50 56 82 2 54 50 55 83 2 54 50 56 84 2 55 50 56 85 2 59 57 61 86 2 59 57 60 87 1 58 57 59 88 2 60 57 61 89 1 58 57 61 90 1 58 57 60 91 1 57 58 62 92 1 57 58 63 93 1 57 58 64 94 2 62 58 63 95 2 62 58 64 96 2 63 58 64 97 2 67 65 69 98 2 67 65 68 99 1 66 65 67 100 2 68 65 69 101 1 66 65 69 102 1 66 65 68 103 1 65 66 70 104 1 65 66 71 105 1 65 66 72 106 2 70 66 71 107 2 70 66 72 108 2 71 66 72 109 2 75 73 77 110 2 75 73 76 111 1 74 73 75 112 2 76 73 77 113 1 74 73 77 114 1 74 73 76 115 1 73 74 78 116 1 73 74 79 117 1 73 74 80 118 2 78 74 79 119 2 78 74 80 120 2 79 74 80 121 2 83 81 85 122 2 83 81 84 123 1 82 81 83 124 2 84 81 85 125 1 82 81 85 126 1 82 81 84 127 1 81 82 86 128 1 81 82 87 129 1 81 82 88 130 2 86 82 87 131 2 86 82 88 132 2 87 82 88 133 2 91 89 93 134 2 91 89 92 135 1 90 89 91 136 2 92 89 93 137 1 90 89 93 138 1 90 89 92 139 1 89 90 94 140 1 89 90 95 141 1 89 90 96 142 2 94 90 95 143 2 94 90 96 144 2 95 90 96 145 2 99 97 101 146 2 99 97 100 147 1 98 97 99 148 2 100 97 101 149 1 98 97 101 150 1 98 97 100 151 1 97 98 102 152 1 97 98 103 153 1 97 98 104 154 2 102 98 103 155 2 102 98 104 156 2 103 98 104 157 2 107 105 109 158 2 107 105 108 159 1 106 105 107 160 2 108 105 109 161 1 106 105 109 162 1 106 105 108 163 1 105 106 110 164 1 105 106 111 165 1 105 106 112 166 2 110 106 111 167 2 110 106 112 168 2 111 106 112 169 2 115 113 117 170 2 115 113 116 171 1 114 113 115 172 2 116 113 117 173 1 114 113 117 174 1 114 113 116 175 1 113 114 118 176 1 113 114 119 177 1 113 114 120 178 2 118 114 119 179 2 118 114 120 180 2 119 114 120 181 2 123 121 125 182 2 123 121 124 183 1 122 121 123 184 2 124 121 125 185 1 122 121 125 186 1 122 121 124 187 1 121 122 126 188 1 121 122 127 189 1 121 122 128 190 2 126 122 127 191 2 126 122 128 192 2 127 122 128 193 2 131 129 133 194 2 131 129 132 195 1 130 129 131 196 2 132 129 133 197 1 130 129 133 198 1 130 129 132 199 1 129 130 134 200 1 129 130 135 201 1 129 130 136 202 2 134 130 135 203 2 134 130 136 204 2 135 130 136 205 2 139 137 141 206 2 139 137 140 207 1 138 137 139 208 2 140 137 141 209 1 138 137 141 210 1 138 137 140 211 1 137 138 142 212 1 137 138 143 213 1 137 138 144 214 2 142 138 143 215 2 142 138 144 216 2 143 138 144 217 2 147 145 149 218 2 147 145 148 219 1 146 145 147 220 2 148 145 149 221 1 146 145 149 222 1 146 145 148 223 1 145 146 150 224 1 145 146 151 225 1 145 146 152 226 2 150 146 151 227 2 150 146 152 228 2 151 146 152 229 2 155 153 157 230 2 155 153 156 231 1 154 153 155 232 2 156 153 157 233 1 154 153 157 234 1 154 153 156 235 1 153 154 158 236 1 153 154 159 237 1 153 154 160 238 2 158 154 159 239 2 158 154 160 240 2 159 154 160 241 2 163 161 165 242 2 163 161 164 243 1 162 161 163 244 2 164 161 165 245 1 162 161 165 246 1 162 161 164 247 1 161 162 166 248 1 161 162 167 249 1 161 162 168 250 2 166 162 167 251 2 166 162 168 252 2 167 162 168 253 2 171 169 173 254 2 171 169 172 255 1 170 169 171 256 2 172 169 173 257 1 170 169 173 258 1 170 169 172 259 1 169 170 174 260 1 169 170 175 261 1 169 170 176 262 2 174 170 175 263 2 174 170 176 264 2 175 170 176 265 2 179 177 181 266 2 179 177 180 267 1 178 177 179 268 2 180 177 181 269 1 178 177 181 270 1 178 177 180 271 1 177 178 182 272 1 177 178 183 273 1 177 178 184 274 2 182 178 183 275 2 182 178 184 276 2 183 178 184 277 2 187 185 189 278 2 187 185 188 279 1 186 185 187 280 2 188 185 189 281 1 186 185 189 282 1 186 185 188 283 1 185 186 190 284 1 185 186 191 285 1 185 186 192 286 2 190 186 191 287 2 190 186 192 288 2 191 186 192 289 2 195 193 197 290 2 195 193 196 291 1 194 193 195 292 2 196 193 197 293 1 194 193 197 294 1 194 193 196 295 1 193 194 198 296 1 193 194 199 297 1 193 194 200 298 2 198 194 199 299 2 198 194 200 300 2 199 194 200 301 2 203 201 205 302 2 203 201 204 303 1 202 201 203 304 2 204 201 205 305 1 202 201 205 306 1 202 201 204 307 1 201 202 206 308 1 201 202 207 309 1 201 202 208 310 2 206 202 207 311 2 206 202 208 312 2 207 202 208 313 2 211 209 213 314 2 211 209 212 315 1 210 209 211 316 2 212 209 213 317 1 210 209 213 318 1 210 209 212 319 1 209 210 214 320 1 209 210 215 321 1 209 210 216 322 2 214 210 215 323 2 214 210 216 324 2 215 210 216 325 2 219 217 221 326 2 219 217 220 327 1 218 217 219 328 2 220 217 221 329 1 218 217 221 330 1 218 217 220 331 1 217 218 222 332 1 217 218 223 333 1 217 218 224 334 2 222 218 223 335 2 222 218 224 336 2 223 218 224 337 2 227 225 229 338 2 227 225 228 339 1 226 225 227 340 2 228 225 229 341 1 226 225 229 342 1 226 225 228 343 1 225 226 230 344 1 225 226 231 345 1 225 226 232 346 2 230 226 231 347 2 230 226 232 348 2 231 226 232 349 2 235 233 237 350 2 235 233 236 351 1 234 233 235 352 2 236 233 237 353 1 234 233 237 354 1 234 233 236 355 1 233 234 238 356 1 233 234 239 357 1 233 234 240 358 2 238 234 239 359 2 238 234 240 360 2 239 234 240 361 2 243 241 245 362 2 243 241 244 363 1 242 241 243 364 2 244 241 245 365 1 242 241 245 366 1 242 241 244 367 1 241 242 246 368 1 241 242 247 369 1 241 242 248 370 2 246 242 247 371 2 246 242 248 372 2 247 242 248 373 2 251 249 253 374 2 251 249 252 375 1 250 249 251 376 2 252 249 253 377 1 250 249 253 378 1 250 249 252 379 1 249 250 254 380 1 249 250 255 381 1 249 250 256 382 2 254 250 255 383 2 254 250 256 384 2 255 250 256 385 2 259 257 261 386 2 259 257 260 387 1 258 257 259 388 2 260 257 261 389 1 258 257 261 390 1 258 257 260 391 1 257 258 262 392 1 257 258 263 393 1 257 258 264 394 2 262 258 263 395 2 262 258 264 396 2 263 258 264 397 2 267 265 269 398 2 267 265 268 399 1 266 265 267 400 2 268 265 269 401 1 266 265 269 402 1 266 265 268 403 1 265 266 270 404 1 265 266 271 405 1 265 266 272 406 2 270 266 271 407 2 270 266 272 408 2 271 266 272 409 2 275 273 277 410 2 275 273 276 411 1 274 273 275 412 2 276 273 277 413 1 274 273 277 414 1 274 273 276 415 1 273 274 278 416 1 273 274 279 417 1 273 274 280 418 2 278 274 279 419 2 278 274 280 420 2 279 274 280 421 2 283 281 285 422 2 283 281 284 423 1 282 281 283 424 2 284 281 285 425 1 282 281 285 426 1 282 281 284 427 1 281 282 286 428 1 281 282 287 429 1 281 282 288 430 2 286 282 287 431 2 286 282 288 432 2 287 282 288 433 2 291 289 293 434 2 291 289 292 435 1 290 289 291 436 2 292 289 293 437 1 290 289 293 438 1 290 289 292 439 1 289 290 294 440 1 289 290 295 441 1 289 290 296 442 2 294 290 295 443 2 294 290 296 444 2 295 290 296 445 2 299 297 301 446 2 299 297 300 447 1 298 297 299 448 2 300 297 301 449 1 298 297 301 450 1 298 297 300 451 1 297 298 302 452 1 297 298 303 453 1 297 298 304 454 2 302 298 303 455 2 302 298 304 456 2 303 298 304 457 2 307 305 309 458 2 307 305 308 459 1 306 305 307 460 2 308 305 309 461 1 306 305 309 462 1 306 305 308 463 1 305 306 310 464 1 305 306 311 465 1 305 306 312 466 2 310 306 311 467 2 310 306 312 468 2 311 306 312 469 2 315 313 317 470 2 315 313 316 471 1 314 313 315 472 2 316 313 317 473 1 314 313 317 474 1 314 313 316 475 1 313 314 318 476 1 313 314 319 477 1 313 314 320 478 2 318 314 319 479 2 318 314 320 480 2 319 314 320 481 2 323 321 325 482 2 323 321 324 483 1 322 321 323 484 2 324 321 325 485 1 322 321 325 486 1 322 321 324 487 1 321 322 326 488 1 321 322 327 489 1 321 322 328 490 2 326 322 327 491 2 326 322 328 492 2 327 322 328 493 2 331 329 333 494 2 331 329 332 495 1 330 329 331 496 2 332 329 333 497 1 330 329 333 498 1 330 329 332 499 1 329 330 334 500 1 329 330 335 501 1 329 330 336 502 2 334 330 335 503 2 334 330 336 504 2 335 330 336 505 2 339 337 341 506 2 339 337 340 507 1 338 337 339 508 2 340 337 341 509 1 338 337 341 510 1 338 337 340 511 1 337 338 342 512 1 337 338 343 513 1 337 338 344 514 2 342 338 343 515 2 342 338 344 516 2 343 338 344 517 2 347 345 349 518 2 347 345 348 519 1 346 345 347 520 2 348 345 349 521 1 346 345 349 522 1 346 345 348 523 1 345 346 350 524 1 345 346 351 525 1 345 346 352 526 2 350 346 351 527 2 350 346 352 528 2 351 346 352 529 2 355 353 357 530 2 355 353 356 531 1 354 353 355 532 2 356 353 357 533 1 354 353 357 534 1 354 353 356 535 1 353 354 358 536 1 353 354 359 537 1 353 354 360 538 2 358 354 359 539 2 358 354 360 540 2 359 354 360 541 2 363 361 365 542 2 363 361 364 543 1 362 361 363 544 2 364 361 365 545 1 362 361 365 546 1 362 361 364 547 1 361 362 366 548 1 361 362 367 549 1 361 362 368 550 2 366 362 367 551 2 366 362 368 552 2 367 362 368 553 2 371 369 373 554 2 371 369 372 555 1 370 369 371 556 2 372 369 373 557 1 370 369 373 558 1 370 369 372 559 1 369 370 374 560 1 369 370 375 561 1 369 370 376 562 2 374 370 375 563 2 374 370 376 564 2 375 370 376 565 2 379 377 381 566 2 379 377 380 567 1 378 377 379 568 2 380 377 381 569 1 378 377 381 570 1 378 377 380 571 1 377 378 382 572 1 377 378 383 573 1 377 378 384 574 2 382 378 383 575 2 382 378 384 576 2 383 378 384 Dihedrals 1 1 3 1 2 6 2 1 3 1 2 7 3 1 3 1 2 8 4 1 5 1 2 6 5 1 5 1 2 7 6 1 5 1 2 8 7 1 4 1 2 6 8 1 4 1 2 7 9 1 4 1 2 8 10 1 11 9 10 14 11 1 11 9 10 15 12 1 11 9 10 16 13 1 13 9 10 14 14 1 13 9 10 15 15 1 13 9 10 16 16 1 12 9 10 14 17 1 12 9 10 15 18 1 12 9 10 16 19 1 19 17 18 22 20 1 19 17 18 23 21 1 19 17 18 24 22 1 21 17 18 22 23 1 21 17 18 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74 78 83 1 75 73 74 79 84 1 75 73 74 80 85 1 77 73 74 78 86 1 77 73 74 79 87 1 77 73 74 80 88 1 76 73 74 78 89 1 76 73 74 79 90 1 76 73 74 80 91 1 83 81 82 86 92 1 83 81 82 87 93 1 83 81 82 88 94 1 85 81 82 86 95 1 85 81 82 87 96 1 85 81 82 88 97 1 84 81 82 86 98 1 84 81 82 87 99 1 84 81 82 88 100 1 91 89 90 94 101 1 91 89 90 95 102 1 91 89 90 96 103 1 93 89 90 94 104 1 93 89 90 95 105 1 93 89 90 96 106 1 92 89 90 94 107 1 92 89 90 95 108 1 92 89 90 96 109 1 99 97 98 102 110 1 99 97 98 103 111 1 99 97 98 104 112 1 101 97 98 102 113 1 101 97 98 103 114 1 101 97 98 104 115 1 100 97 98 102 116 1 100 97 98 103 117 1 100 97 98 104 118 1 107 105 106 110 119 1 107 105 106 111 120 1 107 105 106 112 121 1 109 105 106 110 122 1 109 105 106 111 123 1 109 105 106 112 124 1 108 105 106 110 125 1 108 105 106 111 126 1 108 105 106 112 127 1 115 113 114 118 128 1 115 113 114 119 129 1 115 113 114 120 130 1 117 113 114 118 131 1 117 113 114 119 132 1 117 113 114 120 133 1 116 113 114 118 134 1 116 113 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