45123375 -OEChem-03292404273D 25 25 0 0 0 0 0 0 0999 V2000 -1.4171 3.0931 0.0754 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4113 1.3576 -0.4315 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6592 -3.0354 0.1235 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2463 0.7003 0.6529 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2304 -0.1153 0.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3539 -0.0141 -0.9487 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7118 -0.2000 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8931 0.1053 -0.5971 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5909 -0.2603 1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1302 -1.0435 -0.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2136 -0.8977 -0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7459 0.3744 0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8991 1.4598 -0.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0124 -2.0788 0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1278 0.5545 0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9456 -0.9982 0.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0605 0.7579 0.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5115 -0.8837 -1.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6465 0.8654 -1.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8923 -1.0895 -0.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9976 0.6724 -0.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4585 0.6328 1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6455 -0.3219 0.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3519 -1.1387 1.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -2.0254 -0.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 8 1 0 0 0 0 2 13 2 0 0 0 0 3 14 3 0 0 0 0 4 15 3 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 2 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 M END > 45123375 > 0.6 > 1 9 8 10 2 6 7 4 5 3 > 13 1 -0.18 10 -0.15 11 0.07 12 0.07 13 0.49 14 0.48 15 0.48 2 -0.62 25 0.15 3 -0.56 4 -0.56 6 0.14 8 0.17 > 3 > 5 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 9 hydrophobe 6 2 8 10 11 12 13 rings > 15 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 02B0872F00000001 > 19.4911 > 25.373 > 11132069 177 18342747303320057302 12119455 92 17203605952406490468 12251169 10 18408886213839830916 12390115 104 17985844630796584352 13140716 1 18339929336765091729 13214271 11 18201998858703753910 13380535 76 18342746182697934399 14420673 8 18050846625282722154 15042514 8 18409174324361938659 15209294 21 17773608117621632617 15375462 189 17822004316119132682 16945 1 18339095808272406933 18186145 218 12179836221778996782 19050596 39 18408320012854466888 193761 8 17979929529306852909 200 152 15357697470680944884 20510252 161 18127976308353686320 20600515 1 18342187660476337725 20871998 184 18201723984986438270 21339142 126 18040992921261935556 21501502 16 18193006043341966413 21637258 2 16009036132945602465 21650355 55 18410852204648459514 22959321 94 18334012791818462210 2334 1 18051704531338872325 23366157 5 17826519065202717332 23402539 116 18341887477080482709 23419403 2 17557966605971963393 23557571 272 18129963259267338414 23559900 14 18199486419395790894 2748010 2 18198350756595741229 3086196 2 18410568518169883718 5104073 3 18339921627815591888 > 295.62 8.31 2.56 0.85 12.19 0.01 0.03 -0.88 3.16 -3.44 0.07 0.56 0.02 -0.15 > 597.715 > 168.8 > 2 5 10 $$$$