12303035 -OEChem-03282408483D 24 26 0 1 0 0 0 0 0999 V2000 0.3096 -2.6891 0.9212 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4567 2.7055 0.5783 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6466 -0.3013 1.8544 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0024 0.3248 2.6690 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.1642 -1.9874 -0.1097 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.5886 0.9022 -1.5429 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0695 -2.1684 -1.8402 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7909 1.1807 -2.0472 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8588 -0.4995 -0.3927 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5246 1.0377 -0.4822 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4508 -1.0866 0.2367 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9235 1.1109 0.1004 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9738 0.0173 1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1911 -0.5748 0.3608 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6891 1.7619 0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8630 0.7807 0.0920 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4895 -0.9119 -0.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 0.3972 -0.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9964 -0.8908 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5193 1.3445 -1.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0453 -0.6917 1.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4852 1.9877 1.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8967 2.7242 -0.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6522 1.0037 0.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 3 13 1 0 0 0 0 4 13 1 0 0 0 0 5 14 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 17 18 2 0 0 0 0 M END > 12303035 > 0.6 > 1 > 13 1 -0.29 11 0.43 12 0.43 13 0.58 14 0.29 16 0.29 2 -0.29 3 -0.29 4 -0.29 5 -0.29 6 -0.29 7 -0.14 8 -0.14 > 0.8 > 2 5 9 10 14 15 16 rings 7 9 10 11 12 13 17 18 rings > 18 > 6 > 0 > 0 > 0 > 0 > 1 > 1 > 00BBBABB00000001 > 86.7153 > 10.203 > 10863032 1 18115849927786215792 10948715 1 17168716343865290444 11578080 2 17415278322091544624 12423570 1 15018816596504337842 13132413 78 16590533571674437584 13140716 1 18336818784337455409 13299463 15 18127716978270136078 144361 1 18265918984295659304 14617773 55 17414183238247301018 14817 1 11968673776223248698 16945 1 18131075951896342981 19765921 60 17458355151436422317 20511035 2 17677040334672475504 20600515 1 17828180135192820216 21524375 3 17761488501280181624 22344851 12 12800378705968970050 22802520 49 18271537437279521343 2334 1 18263078988942947413 23419403 2 17124262131150517312 23526113 38 18268452228947970438 23559900 14 18340496595440889502 2748010 2 18336265759974112693 5845 1 8903607293667264920 81228 2 16910898197323752042 > 385.39 4.5 2.59 2.1 3.18 0.53 0.44 -0.25 -1.8 -0.35 -0.14 -1.36 0.04 0.37 > 767.145 > 225.5 > 2 5 10 $$$$