BC4IE3 -OEChem-04042101423D 54 57 0 1 0 0 0 0 0999 V2000 -6.9283 0.2652 2.2166 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5743 2.9138 -0.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1932 1.0114 0.8579 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3304 3.2039 -0.4837 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6208 -0.8351 1.3232 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6642 0.0604 0.2160 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1529 0.0907 -0.1939 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6510 1.1037 1.0664 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8013 -0.7497 -0.5597 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1224 -1.3636 -0.9910 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8922 -1.0425 -1.4309 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3459 -0.5328 -0.8689 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4219 -4.0739 0.2352 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0169 1.1687 0.1327 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6231 2.5149 0.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1603 4.1681 -0.1421 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5284 0.4791 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 0.2543 0.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9495 0.0132 0.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4205 -0.3535 -0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4878 4.2806 -0.8808 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2019 5.2777 -0.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3474 1.3540 1.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8769 -0.4898 -0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7845 -1.4856 -1.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2603 -0.7853 -0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9747 -0.4465 0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1597 -1.8550 0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1648 -1.0067 0.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0665 -1.5770 -1.8348 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2199 -1.5847 -1.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2430 -2.7214 0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3790 -1.3965 -0.7488 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3778 -2.4948 0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5048 -3.3654 0.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8396 1.1488 -0.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1015 2.4486 1.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8184 3.2543 0.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 4.2156 0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9912 5.2250 -0.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3403 4.2012 -1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8807 5.1581 -1.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2965 5.2794 0.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6717 6.2606 -0.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0533 2.1642 1.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2802 0.8543 -0.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4511 -2.2807 -1.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1649 3.2998 -0.9736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3173 -2.0949 1.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0573 -1.0010 0.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0568 -2.0152 -2.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1367 -2.0273 -1.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1905 -3.5690 1.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2342 -1.1642 -1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 14 1 0 0 0 0 3 18 1 0 0 0 0 4 21 1 0 0 0 0 4 48 1 0 0 0 0 5 19 2 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 24 1 0 0 0 0 7 19 1 0 0 0 0 7 26 1 0 0 0 0 7 46 1 0 0 0 0 8 23 2 0 0 0 0 9 18 2 0 0 0 0 9 25 1 0 0 0 0 10 20 1 0 0 0 0 10 25 2 0 0 0 0 11 24 1 0 0 0 0 11 30 2 0 0 0 0 12 26 2 0 0 0 0 12 33 1 0 0 0 0 13 35 3 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 17 23 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 24 27 2 0 0 0 0 25 47 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 32 2 0 0 0 0 28 49 1 0 0 0 0 29 31 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 52 1 0 0 0 0 32 34 1 0 0 0 0 32 53 1 0 0 0 0 33 34 2 0 0 0 0 33 54 1 0 0 0 0 34 35 1 0 0 0 0 M END $$$$