6377798 -OEChem-03292405383D 43 45 0 0 0 0 0 0 0999 V2000 -7.2929 -1.3259 0.0349 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8653 -2.3716 -0.5845 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4759 2.3627 0.7279 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5742 1.9959 -0.5427 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6299 1.5792 1.7185 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 1.1482 0.4533 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5051 -1.1550 -0.1797 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6072 0.0863 0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0079 -0.1427 -0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8632 -1.0442 -0.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2868 -1.4413 -0.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 1.3093 0.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8878 -0.0548 0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0522 0.8820 0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5811 0.0240 0.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6035 -2.0825 -0.5892 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3347 -1.0574 -0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 -1.1230 -0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3157 1.2695 0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4495 -1.4768 1.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5189 -0.8311 -1.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8428 -1.5399 1.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9123 -0.8940 -1.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2772 3.2262 -0.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5741 -1.2485 0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4826 3.9056 -1.6747 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9755 1.9688 0.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9824 1.2568 1.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0664 0.4951 0.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9301 1.7267 -0.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2054 -2.0375 0.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5215 -3.1363 -0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1519 -1.5681 -1.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 -2.0026 -0.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8914 -1.7063 2.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0154 -0.5533 -2.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2484 3.0179 0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 3.8757 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3451 -1.8174 2.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4691 -0.6639 -2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0187 4.8511 -1.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5203 4.1031 -2.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0516 3.2594 -2.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 12 2 0 0 0 0 4 19 1 0 0 0 0 4 24 1 0 0 0 0 5 19 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 27 1 0 0 0 0 7 10 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 11 16 1 0 0 0 0 13 15 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 25 2 0 0 0 0 22 39 1 0 0 0 0 23 25 1 0 0 0 0 23 40 1 0 0 0 0 24 26 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M END > 6377798 > 0.8 > 1 12 14 11 13 8 10 2 5 9 4 6 17 15 3 7 18 16 19 > 31 1 -0.18 10 0.17 11 -0.14 12 0.72 13 0.5 14 0.18 15 0.03 16 0.18 17 -0.18 18 0.03 19 0.71 2 -0.08 20 -0.15 21 -0.15 22 -0.15 23 -0.15 24 0.28 25 0.18 27 0.37 3 -0.57 34 0.15 35 0.15 36 0.15 39 0.15 4 -0.43 40 0.15 5 -0.57 6 -0.49 7 -0.58 8 -0.09 9 -0.18 > 5 > 6 1 3 acceptor 1 5 acceptor 1 6 donor 5 2 8 9 10 11 rings 6 18 20 21 22 23 25 rings 6 6 7 8 10 12 13 rings > 26 > 0 > 0 > 1 > 0 > 0 > 1 > 4 > 0061514600000001 > 65.6328 > 30.527 > 12166972 35 17458348567182486167 12236239 1 17346601897601193539 12516196 113 18060419157585050595 12760667 363 18272653437287149283 12788726 201 18114733863818750329 13383665 225 18187663409264554212 13533116 47 18201720691115585690 13540713 4 18341597197452970320 13685833 64 18411985788732492291 13690498 29 18341343184559915214 14341114 176 18343025501775083502 14347332 77 18341047424179183326 14840074 17 18131634521020273599 15131766 46 14906182045502862218 15183329 4 15936408935628496015 15196674 1 18342459202063325184 15198563 99 18188205412804722693 17492 89 18199472052482953870 1813 80 18269854119695811637 19301676 85 16827847583153650311 200 152 18131349721728137331 20028762 73 17918275350861411894 21033650 10 16371285511203424196 21236236 1 18341896247530294921 21267235 1 18201445749206567126 21641784 216 18188506729944784636 21792934 111 18131625682467779539 221357 26 18411699881211875278 22182313 1 18199725047246434984 22393880 68 18264483993247107470 23175994 123 18261111928797985055 23522609 53 17914929575384569984 23557571 272 18113612400307234133 23559900 14 18337106886121461218 23569914 152 17402582188015824695 24771750 20 17031640414357818757 283562 15 18336265648484480227 2871803 45 18408039615508664706 3004659 81 18261109694539759146 3411729 13 14763766681393396210 350125 39 18343023289566232888 437815 12 18188490285463988591 46194498 28 18041277759846996300 5104073 3 18271804571940738522 5283173 99 18114452393211080645 59755656 215 18114179731133085251 > 513.22 15.89 3.26 1.12 1.9 3.54 -0.03 -9.96 -1.23 -1.28 -0.94 -1.01 0.32 1.89 > 1089.026 > 290.4 > 2 5 10 $$$$