ZINC04084789 -OEChem-08230709443D 41 42 0 1 0 0 0 0 0999 V2000 -0.2532 -2.8849 3.4862 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0855 -1.3966 3.5919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4836 -0.6567 2.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1449 0.8315 2.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 1.5714 1.2731 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7821 1.3685 1.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0127 1.0858 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7379 1.5849 -1.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 3.0924 -1.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2442 3.9423 0.0356 S 0 3 1 0 0 0 0 0 0 0 0 0 -0.4926 3.0771 1.4471 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4602 5.5203 0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8282 5.6563 0.5335 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4441 6.8982 0.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 8.0058 0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5164 7.8740 -0.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1348 6.6353 -0.4573 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4007 6.5068 -0.9401 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7086 7.0315 1.0095 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3357 -3.0102 3.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1825 -3.2928 2.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1522 -3.4120 4.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1679 -1.2714 3.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3502 -0.9887 4.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5660 -0.7820 2.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0479 -1.0646 1.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9376 0.9568 2.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5806 1.2395 3.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0116 1.4584 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3491 1.0672 -2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8044 1.3810 -1.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5471 3.3047 -1.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0081 3.4362 -2.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5762 3.2890 1.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9596 3.4132 2.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3519 4.7948 0.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 8.9732 0.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0391 8.7383 -0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0903 6.6305 -0.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7503 7.2311 1.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 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 37 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 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 M CHG 1 10 1 M END > ZINC04084789 $$$$ ZINC04084803 -OEChem-08230709443D 45 47 0 1 0 0 0 0 0999 V2000 -1.2462 3.1315 0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2137 1.7658 0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0059 1.0899 0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1788 1.7865 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1435 3.1561 -0.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0691 3.8286 -0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1043 5.1719 -0.4058 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7181 0.9292 -0.0177 S 0 3 2 0 0 0 0 0 0 0 0 0 3.9436 2.2176 0.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3233 1.7313 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3289 1.5189 -1.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5008 0.2945 -1.9811 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7915 -0.5474 -1.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0114 0.5891 -1.7796 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7555 -0.0553 -3.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9345 -1.2891 -3.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1892 -1.6389 -5.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6767 -1.9336 -5.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4977 -0.6997 -5.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2430 -0.3500 -3.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.2536 0.4478 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1899 3.6566 0.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1317 1.2263 0.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0597 3.6987 -0.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2044 5.4238 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6865 3.1344 -0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9568 2.4051 1.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5575 0.7908 0.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0732 2.4772 0.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3552 1.3761 -1.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9105 2.3994 -2.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4227 -0.2748 -2.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7273 1.4588 -2.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4621 0.7845 -4.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2279 -2.1289 -3.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8748 -1.0792 -3.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -0.7990 -5.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6043 -2.5179 -5.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8582 -2.1827 -6.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9701 -2.7734 -4.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2043 0.1401 -5.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5575 -0.9097 -5.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8279 0.5290 -3.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5364 -1.1898 -3.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1218 -0.5013 1.3776 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 21 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 7 25 1 0 0 0 0 8 14 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 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 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 20 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 M CHG 1 8 1 M END > ZINC04084803 $$$$