BAL3B4 -OEChem-04012114593D 53 55 0 0 0 0 0 0 0999 V2000 4.4841 2.6061 2.2949 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8502 3.3512 1.9427 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9199 -0.7211 -3.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5549 -1.4581 -0.6454 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8691 -3.7099 1.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6259 -1.6824 0.8744 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6777 -0.8774 -0.1834 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4155 1.4063 0.0353 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0286 -0.1405 -2.5330 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8405 1.2021 -2.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8329 1.8097 -0.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3599 -0.2568 -2.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4784 1.2102 -2.7311 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7978 2.0661 -2.8663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1836 -1.1756 -0.8721 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6353 2.2524 -0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0229 1.9193 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 -1.7370 -0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8942 -1.4737 -0.4318 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7082 -2.3332 0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0153 2.4716 1.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6276 2.8044 1.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1013 -2.5967 0.8529 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8176 2.9139 1.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8118 -2.8947 1.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 -2.6430 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0015 -1.8328 1.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6216 -2.0772 0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8494 -0.6708 0.8615 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7494 0.5296 1.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5645 1.5429 1.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4208 0.1881 -0.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3062 0.0071 -1.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 0.6560 -2.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1106 2.2320 -2.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5595 0.7446 -3.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7691 1.7613 -3.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 3.1278 -2.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8426 1.9737 -2.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 2.1813 -0.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9603 1.5691 -0.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0463 -1.0726 -0.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9088 -3.0688 1.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8117 3.3444 2.9687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 -3.5627 2.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3671 -0.7939 0.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0237 -1.9460 2.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3824 -2.7678 0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5559 -1.7451 -0.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5918 -3.1681 -0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6525 -1.7465 1.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0796 0.6785 2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5551 2.5223 1.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 0 0 0 3 12 2 0 0 0 0 4 18 1 0 0 0 0 4 28 1 0 0 0 0 5 26 2 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 6 46 1 0 0 0 0 7 29 2 0 0 0 0 7 32 1 0 0 0 0 8 31 1 0 0 0 0 8 32 2 0 0 0 0 9 33 3 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 22 1 0 0 0 0 16 40 1 0 0 0 0 17 21 2 0 0 0 0 17 41 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 21 24 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 M END $$$$