ZINC00011872 -OEChem-08230709433D 35 37 0 0 0 0 0 0 0999 V2000 -10.2875 4.6529 0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2969 3.6050 0.4225 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7229 2.2088 0.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9434 3.9377 0.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5297 5.2492 0.4872 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1934 5.5781 0.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2637 4.5963 0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6788 3.2853 -0.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0145 2.9562 -0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5187 2.0594 -0.5632 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.9085 4.9293 -0.0861 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0657 4.8703 1.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7445 5.2906 0.9225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9094 5.2340 2.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3892 4.7569 3.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7127 4.3308 3.3404 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5475 4.3844 2.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9009 3.9277 4.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7560 4.0796 5.3049 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5985 3.8076 6.4797 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8081 4.5807 4.4884 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1085 4.7854 4.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6764 7.2176 0.6029 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -10.6607 5.0418 -0.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1158 4.2364 1.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8232 5.4601 1.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8630 1.5875 0.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1506 1.8739 1.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4722 2.1264 -0.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2524 6.0123 0.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3366 1.9363 -0.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5549 5.2008 -0.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3711 5.6623 -0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1166 5.5608 1.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5742 4.0593 2.3171 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 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 9 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 17 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 21 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 35 1 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 21 22 1 0 0 0 0 M END > ZINC00011872 $$$$ ZINC00123125 -OEChem-08230709433D 30 32 0 0 0 0 0 0 0999 V2000 -3.4627 -7.5907 1.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1574 -7.0192 -0.0027 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4901 -5.8358 -0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1005 -5.8236 -0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4197 -4.6244 -0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1285 -3.4211 -0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5249 -3.4373 0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1989 -4.6404 0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9347 -4.6618 0.0277 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4031 -2.1345 -0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9689 -0.9536 0.0066 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0169 1.3926 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1753 2.0934 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3904 1.4118 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4175 0.0333 -0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2309 -0.6835 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9369 -2.0039 -0.0172 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1613 3.4922 0.0097 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2205 -7.3200 -0.0350 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5378 -7.7755 1.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0882 -6.9013 1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9949 -8.5313 1.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6602 -4.6156 -0.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0763 -2.5088 0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9579 1.9226 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3168 1.9668 -0.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3633 -0.4881 -0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3164 3.9687 0.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9964 3.9857 0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 3 8 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 10 18 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 17 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 M END > ZINC00123125 $$$$ ZINC00405352 -OEChem-08230709433D 33 35 0 0 0 0 0 0 0999 V2000 7.5907 0.4500 -0.5945 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1355 1.8857 -0.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0403 2.8859 -0.6453 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6352 4.2328 -0.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4634 5.1232 -0.6989 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3303 4.5367 -0.4528 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3732 4.7223 -0.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4028 3.5535 -0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7452 2.1905 -0.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 1.2912 -0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4143 1.7947 -0.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6880 3.5560 -0.1552 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1511 1.0687 0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1554 -0.1430 0.1378 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8699 1.8074 0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7813 3.0600 -0.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4163 3.7440 -0.5803 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5295 3.1919 0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4505 1.9476 0.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2559 1.2551 0.6373 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8544 1.2600 1.3864 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9121 -0.1968 -0.2916 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0400 -0.0782 -1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6572 0.4147 -0.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4039 -0.0251 0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0870 2.6475 -0.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6491 3.4928 -1.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4857 4.7129 -1.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4649 3.7316 0.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1939 0.2867 1.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9730 -0.5369 -1.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8465 -0.4250 0.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0887 -0.7048 0.2102 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 2 0 0 0 0 2 9 1 0 0 0 0 3 26 1 0 0 0 0 3 4 1 0 0 0 0 4 6 2 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 8 12 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 20 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 19 2 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 30 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 M END > ZINC00405352 $$$$ ZINC00559426 -OEChem-08230709433D 29 31 0 0 0 0 0 0 0999 V2000 3.3059 -1.7275 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0498 -0.5890 -1.4477 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4780 0.6641 -1.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1484 0.7825 -0.9147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3918 -0.3753 -0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9810 -1.6269 -0.8122 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0197 0.0230 -0.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8909 -0.7293 0.0192 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0405 1.4963 -0.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1341 2.2759 0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9878 3.7283 0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1488 4.2738 0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2836 5.6399 0.8547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7111 6.4791 0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 5.9432 -0.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9866 4.5788 -0.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0794 6.9975 -0.8576 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5756 7.8249 0.4702 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6938 6.3171 1.6073 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2944 1.9736 -0.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6333 3.1339 -0.8142 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7603 -2.7008 -1.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0824 -0.6772 -1.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0648 1.5501 -1.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4051 -2.5204 -0.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0999 1.8165 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 3.6234 1.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8658 4.1640 -0.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9443 8.1926 1.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 20 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 16 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 28 1 0 0 0 0 18 29 1 0 0 0 0 20 21 2 0 0 0 0 M END > ZINC00559426 $$$$ ZINC02552188 -OEChem-08230709433D 33 35 0 0 0 0 0 0 0999 V2000 -0.0122 1.0861 0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6819 1.5466 1.1843 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7878 2.8907 1.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2094 3.5853 2.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1209 4.9376 2.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9839 5.6306 1.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9971 4.9353 1.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8884 3.5594 0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1272 2.6827 -0.0049 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.0855 5.6219 0.5022 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1256 8.4950 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2057 6.9515 0.6529 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1841 7.5158 0.1941 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2267 7.7120 1.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1073 7.0813 1.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 7.7871 2.5134 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3933 9.1764 1.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5682 9.7375 2.7439 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7177 11.1030 2.8751 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7059 11.9138 1.7542 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5381 11.3626 0.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3819 9.9991 0.3529 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5762 2.7257 2.6685 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0027 -0.0038 0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0103 1.4635 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5389 1.4475 -0.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8988 5.4702 2.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3378 8.7354 2.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5824 9.1051 3.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8487 11.5391 3.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8277 12.9815 1.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5290 12.0007 -0.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2507 9.5700 -0.6294 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 3 8 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 15 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 8 9 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 14 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 28 1 0 0 0 0 17 22 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 21 2 0 0 0 0 20 31 1 0 0 0 0 21 22 1 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 M END > ZINC02552188 $$$$ ZINC03866958 -OEChem-08230709433D 33 35 0 0 0 0 0 0 0999 V2000 5.9580 3.2053 -0.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 3.6436 -1.3464 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6136 3.0213 -1.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6158 2.0085 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4409 1.3729 0.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2391 1.7493 -0.3476 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2408 2.7683 -1.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4224 3.4014 -1.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4268 4.3933 -2.5679 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0126 1.0758 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1342 1.8109 0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2309 3.2789 0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2952 4.3068 0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7008 5.6110 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0345 5.8934 0.8313 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9705 4.8804 0.8783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 3.5603 0.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3044 2.3736 0.6739 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5111 1.3166 0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8678 0.1544 0.3609 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4488 -0.0060 1.5638 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.1232 2.1481 -0.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8118 3.7830 -1.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8413 3.3504 0.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5410 1.7186 0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3191 3.0596 -1.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5680 4.0830 -3.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0492 -0.0022 0.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7445 4.0856 0.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0228 6.4120 0.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3448 6.9161 0.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0076 5.1134 1.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2612 2.3160 0.8227 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 3 8 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 9 27 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 19 1 0 0 0 0 11 12 1 0 0 0 0 12 17 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 M END > ZINC03866958 $$$$ ZINC03866959 -OEChem-08230709433D 33 35 0 0 0 0 0 0 0999 V2000 1.1437 -4.7978 0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1578 -4.0346 1.0671 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1148 -2.7017 0.8112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0059 -2.1421 -0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9675 -0.7904 -0.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0264 0.0231 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8681 -0.5437 1.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8241 -1.8993 1.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6936 -2.4531 2.3475 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0178 1.4609 0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2203 2.0933 -0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4639 3.5482 -0.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6244 4.6567 -0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1628 5.9205 -0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5336 6.0826 -0.5247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3751 4.9890 -0.5033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8512 3.7078 -0.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4613 2.4600 -0.3186 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5557 1.4762 -0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7973 0.2846 -0.1187 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1828 -0.0328 -1.5947 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.9772 -4.7109 -0.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1364 -4.4203 0.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0697 -5.8443 0.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7308 -2.7682 -0.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 0.0785 1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3693 -2.4688 3.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9008 2.0197 -0.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4445 4.5292 -0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5143 6.7839 -0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9480 7.0744 -0.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4423 5.1283 -0.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4188 2.3170 -0.3784 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 3 8 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 9 27 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 19 1 0 0 0 0 11 12 1 0 0 0 0 12 17 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 M END > ZINC03866959 $$$$ ZINC03867152 -OEChem-08230709433D 33 35 0 0 0 0 0 0 0999 V2000 -1.8244 3.2779 -0.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8267 2.8728 0.9863 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 1.7398 1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1711 1.0412 0.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8732 -0.1290 0.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9119 -0.5768 1.9491 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2562 0.1303 2.9328 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5562 1.2876 2.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9118 1.9803 3.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3090 -0.4749 4.7236 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.5697 -0.8786 -0.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8340 -1.3444 -0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7322 -1.0171 0.9216 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5989 -0.1992 2.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6397 -0.0956 2.9392 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8114 -0.8038 2.7305 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9532 -1.6184 1.6256 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9158 -1.7353 0.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7989 -2.4701 -0.4672 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6036 -2.2767 -1.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2229 -2.7850 -2.0889 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3805 2.4917 -0.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2426 4.1934 -0.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8484 3.4578 -0.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1421 1.3933 -0.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4556 -1.4754 2.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4535 2.6606 4.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0826 -1.0623 -1.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6849 0.3530 2.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5403 0.5388 3.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6217 -0.7180 3.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8719 -2.1657 1.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4936 -3.0462 -0.8228 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 3 8 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 27 1 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 20 1 0 0 0 0 12 13 1 0 0 0 0 13 18 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 M END > ZINC03867152 $$$$ ZINC04109571 -OEChem-08230709433D 33 35 0 0 0 0 0 0 0999 V2000 4.9378 -0.1616 -0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8597 1.3433 -0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9871 2.1002 -0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 3.5069 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9067 4.1735 -0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6992 4.1304 -0.0208 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5391 3.4391 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5649 2.0296 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3721 1.3054 -0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1567 1.9839 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 3.3924 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3224 4.1061 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0464 4.0516 0.0123 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0154 1.2858 0.0091 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1723 -0.7036 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3937 -0.0245 0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5745 -0.7361 0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5522 -2.1211 0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3451 -2.8005 0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1569 -2.1011 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0436 -3.0095 0.0356 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9463 -0.5192 -1.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8506 -0.4809 0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0731 -0.5733 0.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9574 1.6261 -0.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 0.2256 -0.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3003 5.1859 0.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3842 4.2417 0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4124 1.0553 0.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5191 -0.2126 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3346 -3.8804 0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2165 -2.6319 -0.0107 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 8 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 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 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 21 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 M END > ZINC04109571 $$$$