B5BCH3 -OEChem-04012119532D 53 56 0 1 0 0 0 0 0999 V2000 11.7842 2.5865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 -1.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3984 -2.7144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1343 -1.7211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5273 0.3313 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5273 1.3313 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6613 -0.1687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7953 0.3313 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6613 1.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4736 1.6360 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4736 0.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7953 1.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8853 -0.1756 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6774 -1.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0572 0.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5273 2.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7793 -1.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8773 -1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9584 0.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0106 -0.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9418 -1.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0022 -1.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2702 -1.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 -1.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6173 -0.5140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4007 -0.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5314 0.7563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0598 2.3062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2628 2.3062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0861 1.7322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2225 -0.5404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0109 -0.2827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5832 1.9139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1847 1.2236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9017 0.6743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8954 -1.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2865 -1.0947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5180 0.4165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5180 1.2460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1473 2.3313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5273 2.9513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9073 2.3313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3820 -2.2140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1803 -2.2109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 0.8552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5685 0.8705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3909 2.7144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8060 0.4458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3989 -0.2408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9442 -2.3869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6705 -0.7443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8735 -0.7412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 1 0 0 0 1 47 1 0 0 0 0 2 24 1 0 0 0 0 2 53 1 0 0 0 0 3 24 2 0 0 0 0 4 22 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 6 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 16 1 1 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 26 1 1 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 27 1 6 0 0 0 9 12 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 15 1 0 0 0 0 10 30 1 0 0 0 0 11 15 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 13 35 1 1 0 0 0 14 17 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 21 2 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 22 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 M END $$$$