BA6CV3 -OEChem-04022103273D 61 65 0 1 0 0 0 0 0999 V2000 -2.6858 -2.1426 0.4212 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9179 0.2077 -1.7976 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1316 -3.4008 -1.4253 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9021 -2.6311 -1.6782 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3934 -0.1099 2.1161 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8751 5.8796 1.0085 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9646 0.9272 -1.2061 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3834 0.0675 1.1942 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5665 -0.1358 -0.2032 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2850 -1.6561 1.2553 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5678 -1.3004 1.4925 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8520 -1.5087 -0.5485 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0453 -2.5030 0.2844 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2850 -1.8857 -0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7621 -2.5212 1.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2333 -2.2606 1.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6090 0.6159 -0.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8249 -2.6611 -0.5032 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4163 2.0040 -0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4336 -2.2091 -0.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1594 -1.3626 0.8241 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5995 -2.6306 -1.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4667 2.6734 0.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1842 2.6371 -0.5383 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1809 -1.3595 0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9067 -2.2060 -0.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1478 -0.9378 1.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5645 -0.9095 0.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2849 3.9759 0.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0025 3.9397 -0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0688 0.3335 -0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0529 4.6091 0.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3982 0.6699 0.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2766 1.1752 -0.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2077 -0.2007 0.9647 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9515 1.8281 -0.4582 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8276 2.3325 -1.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1627 2.6564 -1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6612 -1.6431 -1.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1440 -3.5092 -0.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5952 -2.7639 -0.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0070 -1.0857 -0.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3717 -1.7421 2.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6208 -3.4756 2.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6175 -1.4439 1.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8516 -3.1423 1.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0244 0.2371 0.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 -1.0171 1.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3918 -3.2904 -1.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4500 2.2284 0.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3517 2.1300 -1.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1128 4.4893 1.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0398 4.4270 -0.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9870 2.1028 -0.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5225 -3.2081 -2.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5581 0.0769 2.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0702 -1.9343 2.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2278 2.9953 -2.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5869 3.5578 -1.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7032 6.1876 1.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 1.6369 -1.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 18 1 0 0 0 0 2 17 2 0 0 0 0 3 18 2 0 0 0 0 4 26 1 0 0 0 0 4 55 1 0 0 0 0 5 27 1 0 0 0 0 5 56 1 0 0 0 0 6 32 1 0 0 0 0 6 60 1 0 0 0 0 7 34 1 0 0 0 0 7 61 1 0 0 0 0 8 35 2 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 9 47 1 0 0 0 0 10 11 1 0 0 0 0 10 28 2 0 0 0 0 11 35 1 0 0 0 0 11 57 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 27 1 0 0 0 0 21 48 1 0 0 0 0 22 26 2 0 0 0 0 22 49 1 0 0 0 0 23 29 1 0 0 0 0 23 50 1 0 0 0 0 24 30 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 28 31 1 0 0 0 0 29 32 2 0 0 0 0 29 52 1 0 0 0 0 30 32 1 0 0 0 0 30 53 1 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 33 35 1 0 0 0 0 33 36 1 0 0 0 0 34 37 2 0 0 0 0 36 38 2 0 0 0 0 36 54 1 0 0 0 0 37 38 1 0 0 0 0 37 58 1 0 0 0 0 38 59 1 0 0 0 0 M END $$$$