BCR81J -OEChem-04022109253D 58 61 0 0 0 0 0 0 0999 V2000 -7.1366 4.3505 0.6370 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8144 3.4374 -2.1467 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9620 -3.0890 0.4128 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3535 -0.6320 -0.6649 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2004 -1.5005 -0.7542 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5547 1.2258 -1.2796 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5900 1.8393 -0.1975 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0661 -1.1713 -1.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8225 -1.2626 -0.6165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0059 -1.0258 -2.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5351 -0.6906 0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3008 -1.7384 -1.9726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7591 -1.4046 0.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3322 -0.4080 -1.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0380 -2.0565 -0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4201 0.1784 -0.5071 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5069 -2.0864 -0.5597 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1952 -1.5770 0.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4281 -0.1334 0.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5086 0.7396 0.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4311 -0.0867 0.6862 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3393 -1.2362 1.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6271 2.0834 -1.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5018 0.5262 1.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3322 -1.4525 2.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4601 0.7618 1.1948 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6155 0.4077 0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4103 -0.5741 2.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6791 2.1394 1.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8343 1.7852 0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8661 2.6510 0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3137 -2.2386 -1.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 -0.2005 -0.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3645 -1.4369 -3.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2182 0.0364 -2.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3528 0.3914 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2706 -0.8638 0.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1261 -2.8223 -1.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 -1.5649 -2.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1353 -0.9981 1.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5324 -2.4628 0.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6953 -0.7462 -2.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0962 0.6601 -1.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2731 -1.4923 -0.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1483 -0.6439 -1.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1005 -1.8476 -1.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4021 -3.1757 -0.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5985 -1.8383 1.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1536 -2.0966 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5185 -1.9436 1.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3791 2.4728 -0.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3447 1.2057 1.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2636 -2.3093 3.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5330 0.3746 1.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3745 -0.2586 -0.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1782 -0.7483 3.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9159 2.8020 1.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7638 2.1698 -0.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 23 2 0 0 0 0 3 15 2 0 0 0 0 4 14 1 0 0 0 0 4 16 1 0 0 0 0 4 44 1 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 5 45 1 0 0 0 0 6 16 2 0 0 0 0 6 23 1 0 0 0 0 7 20 1 0 0 0 0 7 23 1 0 0 0 0 7 51 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 32 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 21 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 22 2 0 0 0 0 20 24 2 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 22 25 1 0 0 0 0 22 50 1 0 0 0 0 24 28 1 0 0 0 0 24 52 1 0 0 0 0 25 28 2 0 0 0 0 25 53 1 0 0 0 0 26 29 1 0 0 0 0 26 54 1 0 0 0 0 27 30 2 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 29 31 2 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 M END $$$$