5338157 -OEChem-03182422053D 36 37 0 0 0 0 0 0 0999 V2000 -2.3089 -0.8473 2.6767 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.2638 -0.3043 -2.7761 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5582 -2.0849 -0.1461 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3543 2.2130 0.2115 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2062 1.7727 0.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5003 0.0444 -0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0876 1.9399 0.1682 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8393 -0.5340 -0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0087 -1.3015 -1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 0.5924 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0232 -1.4937 1.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.8644 -0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3919 1.4452 0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0865 -0.2269 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1029 1.2365 0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0022 -1.0069 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3959 -0.5387 -0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0595 -0.4391 1.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0395 -0.1994 -1.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3814 0.0051 1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3614 0.2448 -1.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0322 0.3472 0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7265 -0.6786 -2.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0571 -1.5920 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4335 -2.2281 -1.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9302 1.0913 1.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8947 1.2566 -0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8693 0.1197 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4598 -2.4266 1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0755 -1.7902 1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7391 -1.0146 2.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0015 2.9488 0.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9126 -2.0878 -0.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9195 0.0911 2.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8840 0.5157 -2.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0613 0.6932 0.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 3 12 2 0 0 0 0 4 13 2 0 0 0 0 5 15 2 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 M END > 5338157 > 0.6 > 1 > 24 1 -0.18 12 0.62 13 0.69 14 0.03 15 0.62 16 -0.18 17 0.03 18 0.18 19 0.18 2 -0.18 20 -0.15 21 -0.15 22 -0.15 3 -0.57 32 0.37 33 0.15 34 0.15 35 0.15 36 0.15 4 -0.57 5 -0.57 6 -0.42 7 -0.49 8 0.3 > 2.4 > 7 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 7 donor 4 8 9 10 11 hydrophobe 6 17 18 19 20 21 22 rings 6 6 7 12 13 14 15 rings > 22 > 0 > 0 > 1 > 0 > 0 > 1 > 3 > 0051742D00000001 > 92.6091 > 35.522 > 10366900 7 18186810157706467203 10369192 42 17319315481192191596 11471102 20 18411698798611026428 11796584 16 16950559948586548650 12107183 9 15478485269432672850 12236239 1 17561084696584272715 12553582 1 18341331106985394502 12596599 1 17917439755950873951 12670546 56 15769776814657003682 13140716 1 18339640165439277290 13224815 77 18335703862045072746 13533116 47 15410621328548405599 13583140 156 16951383564241641208 13675066 3 18041000686626012529 14289901 80 15913319234737511050 14386348 63 18040721380554974066 15375358 24 18260267451558248899 15653759 3 17603304877443018691 15848702 151 17775293720175156902 16945 1 18412262822475219678 17349148 13 17632581556386659439 1813 80 18272380728375340684 18186145 218 18260543446066973430 200 152 18131910455747420233 20511986 3 17632280272878355001 20645477 70 18411701002098002462 21033648 29 17895176818826238189 21267235 1 18341903969343409870 22094290 60 16081087082516122623 23175994 123 18260835890880911485 23493267 7 17240476996680605569 23557571 272 16877657954908042909 23559900 14 17240482473070142506 26918003 58 18040154015565128570 34934 24 18341324608958033076 474 4 18272932764774605914 5104073 3 18340767143118953291 5265222 85 16733568073545048658 633830 44 18343023302361347166 7495541 125 17386010593500584412 77492 1 17561083618346988879 9971528 1 17846499210535373038 > 428.92 9.96 1.82 1.71 1.49 0.27 -0.5 0.06 0.37 -2.06 0.61 1.78 -0.24 0.52 > 908.448 > 240.3 > 2 5 10 $$$$