23167 -OEChem-03282411363D 34 33 0 0 0 0 0 0 0999 V2000 -2.1422 -0.1318 0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3963 -2.0631 -0.0231 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1755 2.6546 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7601 0.2574 0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1183 -0.4495 0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5718 -0.7049 0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3064 0.5147 0.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2452 0.0532 0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6318 -0.2418 -0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9445 -0.8962 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8149 0.7118 -0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3086 -0.8434 -0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4718 0.0867 -0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6999 -0.4496 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3096 1.5019 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6913 0.8634 0.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7025 0.9526 -0.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1656 -1.0887 -0.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1969 -1.1131 0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6128 -1.3891 0.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6411 -1.3167 -0.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2103 1.2013 -0.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2943 1.1243 0.9572 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1881 0.7272 -0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1794 0.6961 0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7445 -0.9115 0.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6371 -0.8666 -0.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9266 -1.5388 0.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 -1.5242 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8576 1.3322 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7488 1.3729 -0.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7516 0.1502 -0.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8672 -1.5218 -0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5883 0.1758 -0.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 2 12 2 0 0 0 0 3 15 3 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 M END > 23167 > 1 > 1 122 79 173 36 29 242 60 251 7 253 89 78 41 2 231 152 161 71 123 66 8 140 49 5 212 109 225 172 143 31 131 185 117 213 69 19 268 9 261 33 263 14 35 147 128 174 50 183 145 52 227 30 96 23 201 256 184 273 168 61 180 47 190 64 205 255 194 127 144 25 265 121 191 43 224 234 12 138 177 170 16 81 163 217 73 233 137 148 40 21 160 134 208 218 215 260 54 10 142 98 244 62 154 75 129 171 266 93 3 53 51 125 26 18 182 179 105 45 275 22 175 6 159 20 196 232 48 243 102 141 202 17 94 236 211 13 24 238 165 119 276 101 67 97 199 39 90 203 110 58 250 28 42 99 153 209 164 70 195 237 162 259 34 107 245 156 226 15 277 46 214 83 157 146 198 87 155 132 271 124 216 257 38 100 114 111 27 200 188 222 139 204 11 192 149 103 57 95 239 166 269 59 181 240 151 219 187 4 120 207 221 241 158 44 65 223 189 186 193 197 220 267 133 229 167 76 274 249 82 169 270 32 91 86 206 116 72 130 112 262 80 254 235 113 178 106 252 92 150 115 84 248 77 56 37 74 108 63 68 210 135 85 136 55 258 176 247 246 230 264 118 104 228 272 88 126 > 10 1 -0.43 10 0.28 12 0.71 13 0.08 14 -0.3 15 0.49 2 -0.57 3 -0.56 33 0.15 34 0.15 > 9 > 6 1 11 hydrophobe 1 14 hydrophobe 1 2 acceptor 1 3 acceptor 3 4 6 8 hydrophobe 3 5 7 9 hydrophobe > 15 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00005A7F00000001 > 8.9326 > 30.461 > 10087517 78 18261109651769720380 10411042 1 18050287270211516227 10730089 173 18411982442367185345 11315181 36 18040718086779320349 12091667 2 18410293631377755474 13073987 5 18262238820172665635 13167372 99 18334858299697985908 13403585 85 18412543214967385848 13533116 47 17168131318729202874 13964095 4 18342179960406291990 14251752 14 18413106135430536002 14251764 18 18113615690426093498 14251764 46 17748826332095370979 14729087 3 18413384337705873336 14933364 13 18411983568371056464 15501527 16 18412265016897390489 155225 5 18125159329652404488 15716309 27 9439403532257218312 15778101 99 18412266095266718569 16079462 125 17775273976948845608 17834072 8 17704071802672393008 17834076 25 17966969435257460322 19489759 90 18412544318815789275 20281389 69 18409446986345189952 20621476 66 18335707113383087340 20645477 56 18342176653186606443 20645477 70 16845020004657760302 21315763 28 18410009953515072254 23402539 116 18411696608409853238 23521765 1 18342176683167052834 23536379 177 18408040702499205562 23559900 14 18202277048257109264 3545911 37 18272652350385844011 4073 2 18113624517038113570 4214541 1 18410855456186784793 42788 4 18411136944180194674 441001 317 18341612594541071529 445580 37 18340779173923982260 4463277 17 18410292523935491556 54446538 1 18334858333182070132 6327066 14 18045494224005716077 7062679 6 18334300851022625564 8209 1 18412825802171567775 > 291.97 19.45 1.58 0.6 27.32 0.72 0 4.34 -0.57 -2.9 -0.01 0.07 0 -0.05 > 548.381 > 179.5 > 2 5 10 $$$$