16315 -OEChem-09272321003D 19 18 0 0 0 0 0 0 0999 V2000 -1.3801 -0.3272 0.8717 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3799 -0.3267 -0.8714 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0002 -1.5740 -0.0004 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5729 -0.1033 -0.4697 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5731 -0.1036 0.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6835 0.7944 -0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6835 0.7943 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9679 0.4231 0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9680 0.4231 -0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0739 0.3555 -1.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9580 -1.0816 -0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0743 0.3546 1.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9582 -1.0822 0.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4314 1.8167 0.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4314 1.8167 -0.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7307 1.1255 0.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2803 -0.5789 -0.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7307 1.1257 -0.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2806 -0.5791 0.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 2 0 0 0 0 6 14 1 0 0 0 0 7 9 2 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 M END > 16315 > 0.6 > 3 213 271 1 8 281 142 33 236 57 247 14 59 101 51 97 118 99 39 83 210 253 279 76 165 71 172 25 204 205 22 246 19 60 268 201 194 254 49 112 81 122 198 214 89 280 234 197 272 152 85 155 36 144 47 84 128 15 82 105 229 80 208 196 167 249 206 66 227 120 131 180 190 184 96 274 27 125 183 56 238 276 41 4 154 255 42 37 63 94 2 261 90 252 230 262 106 91 148 218 157 61 266 217 30 237 140 138 171 75 141 228 135 267 182 146 191 244 257 28 134 220 164 212 263 195 73 221 225 117 34 258 129 46 273 241 168 265 13 231 250 119 38 103 163 178 52 68 226 173 69 100 187 54 16 242 123 107 243 260 23 199 114 186 77 175 270 179 188 70 137 219 275 95 26 145 232 20 6 92 176 116 127 202 240 149 284 162 278 177 211 181 72 62 286 285 170 121 287 64 7 55 239 40 32 169 248 104 132 151 160 166 21 108 9 87 222 216 24 159 282 233 130 139 17 200 44 12 147 86 150 111 256 215 31 136 113 277 115 65 35 10 193 11 67 143 185 264 207 283 203 93 158 79 18 251 29 209 174 110 58 235 53 259 50 133 98 192 153 88 48 78 102 5 161 124 109 189 74 43 45 223 156 126 224 269 245 > 14 1 -0.23 14 0.15 15 0.15 16 0.15 17 0.15 18 0.15 19 0.15 2 -0.23 4 0.37 5 0.37 6 -0.29 7 -0.29 8 -0.3 9 -0.3 > 6 > 2 1 8 hydrophobe 1 9 hydrophobe > 9 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00003FBB00000003 > -12.3426 > 10.149 > 100836 57 18410579487126078052 11062470 55 18410855460133514505 114248 4 15769774662740997837 12251169 10 15719395044251411719 14123238 8 15719112465457485025 14123255 352 18113891624805685725 14252887 29 13623524628639117808 15501527 16 18410295847622883416 15501527 24 15769771377085852076 15775835 57 18410853265400087906 17834072 32 18338241590954282332 17834072 33 10881697805133046619 17834072 8 18272942609572910694 17834076 25 18040718069509806372 18342897 14 17603867801510786685 20605781 2 18343301470260647473 20645477 70 17703517584319439446 20724930 37 16660365874642377639 20767249 213 18187365458265047028 20767249 442 18410293618534876178 20871999 31 16702007713149973927 21119208 17 15770056137707230432 21293036 1 17203889656571467163 23402539 116 18272363196017975919 23402655 69 17275388685564388384 328317 168 18412543223704643303 366044 4 18410573993752318595 42 15 13334739024663493735 449060 50 16515402975986486214 548570 60 18410575088958234593 > 196.76 10.5 1.15 0.88 0 0.36 0 -4.55 0 0 0 0 0.07 0.1 > 317.975 > 138.5 > 2 5 10 $$$$