ZINC00027023 -OEChem-08230709433D 44 46 0 0 0 0 0 0 0999 V2000 -5.6765 1.7824 1.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8926 1.2587 0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5667 1.7287 -1.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4818 1.7861 0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4316 0.9161 0.1969 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 1.4672 0.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0457 0.6304 0.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3078 1.1812 0.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 2.5598 0.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 3.3977 0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9009 2.8624 0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0091 3.6824 0.1435 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0490 3.3983 -0.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2502 3.1700 0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2020 3.9287 0.0068 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6987 0.1463 0.4481 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6396 -0.4206 0.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1854 -1.1742 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3126 -1.2835 -1.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8263 -2.0903 -3.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4148 -3.4915 -2.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2876 -3.3821 -1.6471 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7739 -2.5753 -0.4414 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6964 2.8719 1.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6965 1.3995 1.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1954 1.4489 2.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8742 0.1690 0.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0081 1.3556 -2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5871 1.3472 -1.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5851 2.8184 -1.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0801 -0.4420 0.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4687 2.9793 0.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5224 4.4683 0.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3291 -0.6729 -1.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1689 -1.7848 -1.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6058 -0.2853 -2.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -1.5892 -3.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6294 -2.1683 -3.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0684 -4.0664 -3.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2711 -3.9928 -2.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4313 -2.8808 -2.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9944 -4.3803 -1.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -2.4974 0.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6301 -3.0766 0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 14 2 0 0 0 0 4 5 1 0 0 0 0 5 17 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 15 1 0 0 0 0 17 18 1 0 0 0 0 18 23 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 M END > ZINC00027023 $$$$ ZINC00140189 -OEChem-08230709433D 38 41 0 0 0 0 0 0 0999 V2000 -1.4247 8.7805 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6947 7.4645 -0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2535 6.2195 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0835 5.3278 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9519 6.1273 0.1323 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6286 7.2892 0.0841 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0802 3.8451 0.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6831 3.1276 -0.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6762 1.7464 -0.9284 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0731 1.0752 0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5218 1.7810 1.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5263 3.1623 1.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2794 4.0464 2.4222 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 3.9683 -2.2720 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6874 5.8527 -0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3705 4.9327 0.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6581 4.8822 0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7906 5.7278 -0.8127 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6305 5.8982 -1.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5449 6.3292 -1.0452 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7162 4.0041 0.8449 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0166 2.9265 1.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0001 3.5925 2.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8213 4.1232 1.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 9.1552 0.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 9.4999 -0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3761 8.6384 -0.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1424 1.1896 -1.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0707 -0.0047 0.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9872 1.2510 1.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3707 4.6071 1.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3010 3.5237 0.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5026 2.2235 1.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7587 2.3931 2.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6375 2.8623 3.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4768 4.4195 3.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2378 3.2874 1.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1895 4.7542 2.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 6 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 7 12 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 15 20 2 0 0 0 0 15 16 1 0 0 0 0 16 24 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 22 23 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 23 24 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 M END > ZINC00140189 $$$$ ZINC00140189 -OEChem-08230709433D 38 41 0 0 0 0 0 0 0999 V2000 -1.4410 8.7951 -0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7054 7.4823 -0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2586 6.2349 -0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 5.3483 0.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9465 6.1524 0.1533 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6182 7.3129 0.1046 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0751 3.8656 0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6711 3.1460 -0.9418 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6581 1.7649 -0.9157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0558 1.0958 0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5322 1.8036 1.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5306 3.1850 1.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 4.0717 2.4433 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 3.9841 -2.2608 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6904 5.8617 -0.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3723 4.9382 0.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6567 4.8780 0.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7884 5.7210 -0.8185 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3387 6.9918 -1.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5435 6.3251 -1.0487 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7144 3.9985 0.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0111 2.9221 1.6835 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0054 3.5967 2.6204 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8237 4.1305 1.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6286 9.1684 0.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8366 9.5175 -0.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3899 8.6490 -0.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1189 1.2065 -1.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0486 0.0159 0.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 1.2753 1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3723 4.6012 1.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2957 3.5150 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4879 2.2217 1.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7533 2.3845 2.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6424 2.8702 3.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4913 4.4212 3.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 3.2975 1.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 4.7640 2.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 6 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 7 12 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 24 1 0 0 0 0 16 17 1 0 0 0 0 17 21 1 0 0 0 0 17 18 2 0 0 0 0 18 20 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 22 23 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 23 24 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 M END > ZINC00140189 $$$$ ZINC03648762 -OEChem-08230709433D 44 46 0 0 0 0 0 0 0999 V2000 -6.8939 0.4054 1.5441 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5263 1.0903 1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5222 0.2723 2.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0473 1.1884 0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7772 1.9976 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5660 1.3662 0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3496 2.1882 -0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 1.6031 -0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0383 2.4039 -0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9108 3.7856 -0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3337 4.3771 -0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4769 3.5869 -0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7339 4.1575 -0.1065 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6524 3.2456 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8421 3.3977 -0.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9341 3.9406 -0.0957 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6171 1.6823 -0.0869 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4884 0.0169 0.0767 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9429 -0.6563 -1.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0616 -0.9739 -2.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6739 -2.3617 -2.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1117 -3.0973 -1.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3387 -2.0057 -0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8116 -0.5954 1.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2351 0.3355 2.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6092 0.9881 0.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6085 2.0911 1.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8255 0.2629 3.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4932 -0.7492 1.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5325 0.7205 2.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8141 1.6735 -0.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8579 0.1877 -0.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0215 0.5292 0.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 4.4025 -0.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4213 5.4525 -0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1787 -0.0368 -1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0279 -1.0243 -1.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0811 -0.2266 -2.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 -2.2623 -3.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5509 -2.8778 -3.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4386 -3.8990 -1.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9243 -3.4909 -0.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2816 -2.0414 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4610 -2.1467 0.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 15 2 0 0 0 0 5 6 1 0 0 0 0 6 18 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 16 1 0 0 0 0 18 19 1 0 0 0 0 19 23 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 M END > ZINC03648762 $$$$ ZINC03648774 -OEChem-08230709433D 41 43 0 0 0 0 0 0 0999 V2000 0.4163 -0.1794 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2888 1.3440 0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6822 1.9689 0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5532 3.4610 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6103 4.2772 0.9697 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4924 5.7274 0.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5428 6.6154 1.8428 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 7.9688 1.6149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2529 8.4516 0.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 7.5879 -0.7479 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 6.2174 -0.5402 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2554 5.3327 -1.5980 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 2.3142 -2.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3691 4.0078 -1.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3212 3.2607 -2.3662 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5029 9.1763 3.0682 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.7715 3.7628 2.2108 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9928 4.0697 2.8867 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0255 2.9492 2.6466 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7771 2.8307 3.9966 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6491 3.0443 5.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7537 4.1306 4.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9998 -0.4588 1.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5763 -0.6246 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9163 -0.5400 -0.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2948 1.6233 -0.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2112 1.7047 1.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2396 1.7529 0.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2106 1.5511 -0.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6746 6.2429 2.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1604 9.5149 0.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0704 7.9744 -1.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3862 5.0224 2.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 2.0123 2.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7139 3.2294 1.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 3.6080 4.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2212 1.8414 4.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0634 3.3934 5.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0856 2.1228 5.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0319 5.1125 4.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7061 3.9269 4.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 14 2 0 0 0 0 4 5 1 0 0 0 0 5 17 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 15 1 0 0 0 0 17 18 1 0 0 0 0 18 22 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 M END > ZINC03648774 $$$$ ZINC03948233 -OEChem-08230709433D 42 44 0 1 0 0 0 0 0999 V2000 -2.8107 5.1926 -4.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4984 4.5921 -3.9597 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4059 4.7776 -2.4438 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0936 4.1770 -1.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0606 4.2429 -0.4079 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1852 3.3759 0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0014 1.8932 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4134 1.4071 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 0.0426 -0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9329 -0.4568 -0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0164 0.4126 -0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8045 1.7728 -0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5054 2.2801 -0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2694 3.7303 0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1908 4.5446 0.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0791 5.9459 0.5501 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9038 6.6548 1.0834 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 6.5519 -0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 5.6838 0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6571 3.8213 1.5784 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.1405 -1.7977 -0.1168 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6503 4.6894 -3.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8401 6.2558 -4.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8767 5.0605 -5.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6589 5.0953 -4.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4691 3.5289 -4.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2455 4.2744 -1.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4353 5.8408 -2.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7457 4.7416 -2.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0215 3.1377 -2.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 3.5983 1.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1116 3.6726 -0.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4612 1.5867 -0.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5438 1.3839 0.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1986 -0.6378 -0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0215 0.0236 -0.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6499 2.4381 -0.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1418 6.5852 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7379 7.5611 0.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1569 6.0932 -0.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 5.6951 1.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1557 -2.1837 -1.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 14 1 0 0 0 0 5 19 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 13 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 21 42 1 0 0 0 0 M END > ZINC03948233 $$$$