ZINC00706199 3D Structure written by MMmdl. 40 43 0 0 1 0 999 V2000 -4.3646 -3.5072 0.3288 C 0 0 0 0 0 0 -3.1546 -2.5917 0.2416 C 0 0 0 0 0 0 -3.3287 -1.2056 0.4327 C 0 0 0 0 0 0 -2.2281 -0.3324 0.3578 C 0 0 0 0 0 0 -0.9362 -0.8365 0.0996 C 0 0 0 0 0 0 -0.7620 -2.2229 -0.0971 C 0 0 0 0 0 0 -1.8656 -3.1079 -0.0397 C 0 0 0 0 0 0 -1.7265 -4.5128 -0.2051 N 0 0 0 0 0 0 -0.8211 -5.1956 -0.9252 C 0 0 0 0 0 0 0.1320 -4.6957 -1.5178 O 0 0 0 0 0 0 -1.0089 -6.6849 -0.9090 C 0 0 0 0 0 0 0.1197 -7.5342 -0.9258 C 0 0 0 0 0 0 -0.0392 -8.9341 -0.9239 C 0 0 0 0 0 0 -1.3305 -9.4953 -0.9159 C 0 0 0 0 0 0 -2.4607 -8.6565 -0.9186 C 0 0 0 0 0 0 -2.3027 -7.2576 -0.9202 C 0 0 0 0 0 0 -4.3800 -9.4844 -0.9249 I 0 0 0 0 0 0 0.2137 0.0628 0.0343 C 0 0 0 0 0 0 1.5072 -0.2847 -0.0563 N 0 0 0 0 0 0 2.1653 0.9264 -0.0814 C 0 0 0 0 0 0 1.2224 1.9676 -0.0002 C 0 0 0 0 0 0 -0.0386 1.4118 0.0767 O 0 0 0 0 0 0 1.6277 3.3058 -0.0057 C 0 0 0 0 0 0 3.0113 3.5402 -0.0948 C 0 0 0 0 0 0 3.8802 2.4283 -0.1709 C 0 0 0 0 0 0 3.4794 1.1347 -0.1641 N 0 0 0 0 0 0 -4.2545 -4.2095 1.1554 H 0 0 0 0 0 0 -5.2813 -2.9402 0.4934 H 0 0 0 0 0 0 -4.4858 -4.0701 -0.5973 H 0 0 0 0 0 0 -4.3092 -0.8009 0.6388 H 0 0 0 0 0 0 -2.3794 0.7270 0.5081 H 0 0 0 0 0 0 0.2368 -2.5918 -0.2835 H 0 0 0 0 0 0 -2.4484 -5.0784 0.2066 H 0 0 0 0 0 0 1.1135 -7.1064 -0.9401 H 0 0 0 0 0 0 0.8301 -9.5759 -0.9329 H 0 0 0 0 0 0 -1.4550 -10.5684 -0.9167 H 0 0 0 0 0 0 -3.1850 -6.6355 -0.9459 H 0 0 0 0 0 0 0.9143 4.1140 0.0554 H 0 0 0 0 0 0 3.4049 4.5456 -0.1053 H 0 0 0 0 0 0 4.9464 2.5860 -0.2396 H 0 0 0 0 0 0 1 2 1 0 0 0 1 27 1 0 0 0 1 28 1 0 0 0 1 29 1 0 0 0 2 7 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 3 30 1 0 0 0 4 5 1 0 0 0 4 31 1 0 0 0 5 6 2 0 0 0 5 18 1 0 0 0 6 7 1 0 0 0 6 32 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 8 33 1 0 0 0 9 10 2 0 0 0 9 11 1 0 0 0 11 16 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 12 34 1 0 0 0 13 14 1 0 0 0 13 35 1 0 0 0 14 15 2 0 0 0 14 36 1 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 16 37 1 0 0 0 18 22 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 20 26 2 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 21 23 2 0 0 0 23 24 1 0 0 0 23 38 1 0 0 0 24 25 2 0 0 0 24 39 1 0 0 0 25 26 1 0 0 0 25 40 1 0 0 0 M END > ZINC00706199 > -26.0733 > 0.000122237 > 1 $$$$ ZINC02805996 3D Structure written by MMmdl. 45 48 0 0 1 0 999 V2000 -0.1566 -1.8364 0.9361 C 0 0 0 0 0 0 -0.9992 -1.8114 -0.3281 C 0 0 0 0 0 0 -2.1741 -2.5904 -0.3882 C 0 0 0 0 0 0 -2.9744 -2.5870 -1.5461 C 0 0 0 0 0 0 -2.6058 -1.8034 -2.6548 C 0 0 0 0 0 0 -1.4360 -1.0229 -2.6063 C 0 0 0 0 0 0 -0.6262 -1.0211 -1.4473 C 0 0 0 0 0 0 0.5565 -0.2197 -1.4244 N 0 0 0 0 0 0 0.4587 1.0673 -0.9814 C 0 0 0 0 0 0 -0.6315 1.5369 -0.6336 O 0 0 0 0 0 0 1.6990 1.8588 -0.9052 C 0 0 0 0 0 0 1.6657 3.1119 -0.3854 C 0 0 0 0 0 0 2.7108 4.0406 -0.0719 C 0 0 0 0 0 0 2.9497 5.3000 -0.5465 C 0 0 0 0 0 0 4.1070 5.8023 0.1098 C 0 0 0 0 0 0 4.5278 4.8471 0.9909 C 0 0 0 0 0 0 3.6650 3.7685 0.9067 N 0 0 0 0 0 0 3.7650 2.6027 1.6981 C 0 0 0 0 0 0 2.6958 2.2183 2.5353 C 0 0 0 0 0 0 2.7847 1.0341 3.2930 C 0 0 0 0 0 0 3.9430 0.2368 3.2197 C 0 0 0 0 0 0 5.0165 0.6256 2.3954 C 0 0 0 0 0 0 4.9297 1.8100 1.6373 C 0 0 0 0 0 0 4.0514 -1.3717 4.2272 Br 0 0 0 0 0 0 2.9293 1.2231 -1.4024 C 0 0 0 0 0 0 4.0351 1.7566 -1.4672 O 0 0 0 0 0 0 2.8211 -0.0414 -1.8179 N 0 0 0 0 0 0 1.7151 -0.7911 -1.8488 C 0 0 0 0 0 0 1.7976 -1.9488 -2.2539 O 0 0 0 0 0 0 -0.0739 -0.8354 1.3597 H 0 0 0 0 0 0 -0.5964 -2.4840 1.6947 H 0 0 0 0 0 0 0.8447 -2.2094 0.7197 H 0 0 0 0 0 0 -2.4700 -3.1972 0.4552 H 0 0 0 0 0 0 -3.8725 -3.1866 -1.5833 H 0 0 0 0 0 0 -3.2203 -1.8007 -3.5431 H 0 0 0 0 0 0 -1.1638 -0.4249 -3.4636 H 0 0 0 0 0 0 0.7027 3.4792 -0.0597 H 0 0 0 0 0 0 2.3623 5.8047 -1.3000 H 0 0 0 0 0 0 4.5768 6.7635 -0.0425 H 0 0 0 0 0 0 5.3573 4.8397 1.6834 H 0 0 0 0 0 0 1.8062 2.8292 2.5905 H 0 0 0 0 0 0 1.9657 0.7348 3.9305 H 0 0 0 0 0 0 5.9028 0.0108 2.3400 H 0 0 0 0 0 0 5.7434 2.0993 0.9871 H 0 0 0 0 0 0 3.6651 -0.4791 -2.1503 H 0 0 0 0 0 0 1 2 1 0 0 0 1 30 1 0 0 0 1 31 1 0 0 0 1 32 1 0 0 0 2 7 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 3 33 1 0 0 0 4 5 1 0 0 0 4 34 1 0 0 0 5 6 2 0 0 0 5 35 1 0 0 0 6 7 1 0 0 0 6 36 1 0 0 0 7 8 1 0 0 0 8 28 1 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 9 11 1 0 0 0 11 12 2 0 0 0 11 25 1 0 0 0 12 13 1 0 0 0 12 37 1 0 0 0 13 17 1 0 0 0 13 14 2 0 0 0 14 15 1 0 0 0 14 38 1 0 0 0 15 16 2 0 0 0 15 39 1 0 0 0 16 17 1 0 0 0 16 40 1 0 0 0 17 18 1 0 0 0 18 23 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 19 41 1 0 0 0 20 21 1 0 0 0 20 42 1 0 0 0 21 22 2 0 0 0 21 24 1 0 0 0 22 23 1 0 0 0 22 43 1 0 0 0 23 44 1 0 0 0 25 26 2 0 0 0 25 27 1 0 0 0 27 28 1 0 0 0 27 45 1 0 0 0 28 29 2 0 0 0 M END > ZINC02805996 > -5.23385 > 6.51204e-05 > 1 $$$$