ZINC04068428 -OEChem-08230709453D 56 59 0 1 0 0 0 0 0999 V2000 -0.5264 0.4213 5.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4751 1.5137 6.3584 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3989 2.7203 6.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 2.8702 5.9559 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5725 3.0236 4.5753 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7493 2.4104 4.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5497 1.7499 5.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7190 1.1421 4.6839 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1054 1.1843 3.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3253 1.8332 2.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1398 2.4584 2.8195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3034 3.1589 1.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3728 2.5815 1.3034 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8246 1.8815 0.7329 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6886 1.5130 -0.0371 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0583 1.1808 0.6539 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1536 3.4622 0.3647 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1443 4.1481 1.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2925 3.4802 1.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2748 4.1545 2.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1190 5.5135 2.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9669 6.1874 2.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9831 5.5054 1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8593 6.1566 0.9442 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1696 6.2363 3.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0331 7.4175 3.4428 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1345 3.8555 7.3117 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.2173 1.0354 7.7641 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7604 1.7175 8.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5275 1.2762 10.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2563 0.1584 10.3429 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8034 -0.5209 9.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5669 -0.0821 7.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5095 -0.3114 11.7235 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1998 -1.2965 11.9146 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0275 0.2872 12.6685 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4885 0.1417 5.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0466 -0.4509 5.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0575 0.7949 4.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8203 3.1682 7.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0433 2.7359 5.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0585 3.5537 3.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2561 1.7127 6.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3377 0.6304 5.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0231 0.7054 3.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6562 3.9102 -0.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4139 2.4302 1.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1656 3.6335 2.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8454 7.2382 2.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1402 6.1377 1.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3694 2.5932 8.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9552 1.8067 10.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4157 -1.3942 9.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9946 -0.6127 7.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5702 4.4402 1.5086 O 0 5 0 0 0 0 0 0 0 0 0 0 9.2816 5.5872 3.5899 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 4 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 6 11 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 9 10 2 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 55 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 23 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 56 1 0 0 0 0 28 33 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 31 32 2 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 M CHG 4 34 1 36 -1 55 -1 56 -1 M END > ZINC04068428 $$$$ ZINC04069339 -OEChem-08230709453D 56 59 0 1 0 0 0 0 0999 V2000 -0.8314 5.2133 5.7978 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5468 4.0749 6.7796 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8937 3.9055 7.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2979 2.9027 6.2764 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7723 2.9562 4.8913 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1297 2.8558 4.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0281 2.5672 5.6382 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3766 2.4689 5.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8466 2.6564 4.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9719 2.9423 3.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6028 3.0502 3.3106 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6623 3.3612 2.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1093 2.4612 1.6199 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5786 3.1790 1.4118 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 2.4373 0.5513 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9821 2.9632 1.4636 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3589 4.7764 1.0345 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9886 5.7631 1.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2606 5.5373 2.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8871 6.5102 3.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2445 7.7281 3.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9674 7.9581 2.7695 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3419 6.9775 2.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0980 7.1961 1.5218 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9140 8.7700 4.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3545 9.8282 4.3004 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1412 1.1100 6.9536 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.6522 3.7672 7.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 2.9885 7.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7374 2.6982 8.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6836 3.2017 9.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6010 3.9915 9.9439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5926 4.2693 9.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7669 2.8996 10.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7172 3.3386 11.6412 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4476 4.8415 4.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3589 6.0152 6.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1094 5.5942 5.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0419 3.5714 8.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6387 4.6050 6.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1379 3.0617 4.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6703 2.4201 6.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 2.2447 6.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9044 2.5774 3.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7916 5.0248 0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7578 4.5967 2.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8749 6.3323 3.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4701 8.8994 2.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 6.9250 2.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7675 2.6034 6.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5720 2.0867 7.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 4.3837 10.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7547 4.8804 9.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 4.6440 1.8894 O 0 5 0 0 0 0 0 0 0 0 0 0 8.1467 8.5492 4.5887 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.8101 2.1373 10.1283 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 4 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 6 11 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 9 10 2 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 54 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 23 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 55 1 0 0 0 0 28 33 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 31 32 2 0 0 0 0 31 34 1 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 34 35 2 0 0 0 0 34 56 1 0 0 0 0 M CHG 3 54 -1 55 -1 56 -1 M END > ZINC04069339 $$$$