BM4D3U -OEChem-04022115233D 57 60 0 0 0 0 0 0 0999 V2000 1.4459 -1.6110 -2.3488 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0103 -3.2844 1.4785 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3973 1.5985 -0.9858 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.5396 -0.2842 0.1342 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8567 0.8306 0.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 0.8301 1.8413 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3015 -2.7135 -1.2894 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8688 0.6710 -0.3263 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3398 0.7956 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4455 0.7657 -1.8631 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3044 0.7953 0.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5573 0.8515 1.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7696 -0.6367 -2.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1534 0.8458 -0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2038 0.8808 0.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7162 0.7640 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6574 0.8911 2.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9151 0.9058 2.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2623 -1.6844 -2.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5744 0.9048 0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3261 1.7856 -0.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4825 -0.2878 0.8601 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7021 1.7552 -0.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8585 -0.3182 0.6341 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1908 2.1232 -0.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2540 -0.2912 -0.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4715 -3.8338 -0.8072 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4683 0.7033 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0478 -3.5619 0.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4868 2.1458 -0.7264 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5502 -0.2687 -0.6721 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1663 0.9497 -0.9569 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4808 -3.0173 2.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2281 1.4545 -2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 1.1327 -2.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8056 -0.6004 -3.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7703 -0.9386 -2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2862 0.8297 -1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 0.9086 3.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7571 0.9359 2.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7516 2.6238 -0.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0218 -1.0934 1.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2885 -2.6873 -1.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1437 2.5695 -1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4235 -1.1538 1.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2142 -4.6867 -0.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 -4.0605 -1.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6743 3.0640 -0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7869 -1.2489 0.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6078 -4.4389 0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7275 -2.7021 0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9668 3.0944 -0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0794 -1.2000 -0.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1754 0.9672 -1.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9821 -3.9010 3.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1696 -2.1681 2.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3681 -2.7706 3.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 29 1 0 0 0 0 2 33 1 0 0 0 0 3 8 1 0 0 0 0 4 8 2 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 6 11 1 0 0 0 0 6 12 2 0 0 0 0 7 19 1 0 0 0 0 7 27 1 0 0 0 0 7 43 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 13 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 13 19 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 20 25 2 0 0 0 0 20 26 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 22 24 2 0 0 0 0 22 42 1 0 0 0 0 23 28 2 0 0 0 0 23 44 1 0 0 0 0 24 28 1 0 0 0 0 24 45 1 0 0 0 0 25 30 1 0 0 0 0 25 48 1 0 0 0 0 26 31 2 0 0 0 0 26 49 1 0 0 0 0 27 29 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 32 2 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 M CHG 2 3 -1 8 1 M END $$$$