11438771 -OEChem-05042402323D 36 38 0 0 0 0 0 0 0999 V2000 -7.4283 1.1136 -1.4382 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.3051 -1.1815 -0.4851 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0858 0.4762 0.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3482 1.8151 0.5571 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8001 -0.8697 0.1082 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 -0.2901 -0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6586 1.7355 0.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3953 0.0607 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0953 0.5555 0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9965 -1.7169 -0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6013 2.8451 0.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0138 0.1599 -1.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0975 -0.4584 1.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3344 -0.2600 -1.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4182 -0.8783 0.9138 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0368 -0.7790 -0.3326 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4835 0.2608 0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6691 0.0090 0.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 -0.2883 0.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9363 0.5125 -0.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5619 -1.3791 0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2819 0.1821 -0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9242 -1.6247 0.8084 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5424 -2.3044 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 -2.1392 -0.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4814 -1.8510 -1.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2682 2.6088 1.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2061 3.0641 -0.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 3.7567 1.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4793 0.5622 -2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6286 -0.5421 2.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8164 -0.1829 -2.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9653 -1.2824 1.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5734 1.3702 -1.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 -2.0262 1.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3607 -2.4633 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 16 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 7 2 0 0 0 0 4 9 1 0 0 0 0 5 22 2 0 0 0 0 5 23 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 17 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 13 15 2 0 0 0 0 13 31 1 0 0 0 0 14 16 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 17 18 3 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 23 36 1 0 0 0 0 M END > 11438771 > 0.6 > 1 > 30 1 -0.18 10 0.18 11 0.18 12 -0.15 13 -0.15 14 -0.15 15 -0.15 16 0.19 17 -0.02 18 -0.07 19 0.07 2 -0.19 20 -0.15 21 -0.15 22 0.49 23 0.16 3 0.33 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.15 4 -0.57 5 -0.62 6 -0.33 7 0.01 8 -0.02 9 0.25 > 1 > 5 1 5 acceptor 3 3 4 7 cation 5 3 4 6 7 9 rings 6 5 19 20 21 22 23 rings 6 8 12 13 14 15 16 rings > 23 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00AE8AB300000001 > 61.359 > 25.373 > 10299344 5 17385724686423748307 106641 1 12319444498559620870 11315181 36 18411141342516901889 11524674 6 18059857286006596199 11646440 116 17703798028118714611 11719270 70 18410289177360182018 11724838 91 11671772775960770768 11796584 16 17676210173455828050 11963148 33 18410006645837795566 12166972 35 17894636989135588461 12236239 1 14996280319276778301 12616971 3 17775282815865056957 13533116 47 15267073519006731990 13668630 136 18335426750987620254 13685833 64 18342741831500067282 13782708 43 18337392772605097987 13862211 1 18343587326315100494 13964095 4 17967812726463782933 14251752 14 17894345558329194013 14849402 71 14189278413957925938 14933364 13 16081089264501901535 15183329 4 17822010882765483697 17844677 252 18409171043413203921 18222031 100 18131072628003184008 20028762 73 17846782927010889318 21150785 3 16805327712315006134 21267235 1 18343026592126759291 21792934 111 18271231760795458152 220451 1 16008742516296760409 22224240 67 16056873629207672806 22956985 138 17979078180922141078 23081809 10 15068609514262070825 23198884 109 16370445553709121097 23522609 53 18044125434422619069 23536379 177 17022902341478313219 23559900 14 18337668732748757657 23569943 247 16915118213246529166 29717793 49 17632860828383010781 300161 21 10953735629937671185 3004659 81 18040154024439867058 3178227 256 18342185491512227970 335352 9 18342455954203074895 3411729 13 18197488740034109344 3545911 37 18260265253415798701 4073 2 16298396793828214459 4340502 62 13398632745065976684 465052 167 18341337755621064502 5104073 3 18200036286731122595 542803 24 15646767903849522897 59755656 215 18411134706328452711 59755656 520 15140680281101716201 7495541 125 18260831531040628488 8863177 126 18191033506671116563 9663363 56 18272081682998573512 > 452.98 20.08 1.81 1.13 15.24 0.83 0.21 -5.22 4.8 -0.24 -0.47 -0.3 0.07 1.67 > 980.049 > 251.5 > 2 5 10 $$$$