BG1OM3 -OEChem-04022114403D 76 78 0 1 0 0 0 0 0999 V2000 -2.3814 -1.7556 0.4362 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3829 -1.7571 0.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4442 -0.1707 -1.2111 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4459 -0.1719 -1.2111 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4253 -4.4828 -0.5808 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4219 -4.4872 -0.5831 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9597 -0.1703 0.5730 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9612 -0.1720 0.5733 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0293 -6.1485 -0.5648 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5419 -6.1317 1.1622 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0189 -6.1595 -0.5715 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5342 -6.1386 1.1579 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1962 4.2849 -0.4535 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1985 4.2828 -0.4522 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7385 5.7322 0.8082 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6129 6.5680 -0.1896 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7409 5.7302 0.8094 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6152 6.5658 -0.1886 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2663 -3.8727 0.0851 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2660 -3.8735 0.0850 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2677 -2.3703 -0.2083 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2687 -2.3712 -0.2085 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0004 -4.5468 -0.4419 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0008 -1.7024 0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9418 -5.5201 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9352 -5.5270 -0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8950 -0.6381 -0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8967 -0.6397 -0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7764 0.9538 0.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7780 0.9520 0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8156 1.2768 1.1866 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5453 1.7384 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5431 1.7402 -0.8143 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8170 1.2749 1.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6214 2.3861 0.9309 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3515 2.8475 -1.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3491 2.8494 -1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6232 2.3841 0.9321 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3882 3.1727 -0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3903 3.1706 -0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8464 5.4495 0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8486 5.4475 0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3252 -3.9727 1.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3261 -3.9741 1.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 -2.2375 -1.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3321 -2.2384 -1.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0007 -4.5225 -1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 -5.6101 -0.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0009 -1.7092 1.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0011 -0.6363 0.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1868 -0.6974 1.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1879 -0.6992 1.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4518 -6.9630 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4401 -5.8131 -1.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7325 -5.8386 1.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0397 -6.9420 1.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4388 -6.9762 -0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4297 -5.8249 -1.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -6.9513 1.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7268 -5.8427 1.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0080 0.6723 2.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7608 1.5503 -1.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7583 1.5520 -1.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0090 0.6704 2.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4289 2.6296 1.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1634 3.4548 -1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1607 3.4567 -1.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4304 2.6274 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5590 6.6736 1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0669 5.0190 1.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3536 7.4740 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4623 6.5169 -0.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5613 6.6716 1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0695 5.0169 1.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3560 7.4719 0.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4647 6.5148 -0.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 27 1 0 0 0 0 2 22 1 0 0 0 0 2 28 1 0 0 0 0 3 27 2 0 0 0 0 4 28 2 0 0 0 0 5 19 1 0 0 0 0 5 25 2 0 0 0 0 6 20 1 0 0 0 0 6 26 2 0 0 0 0 7 27 1 0 0 0 0 7 29 1 0 0 0 0 7 51 1 0 0 0 0 8 28 1 0 0 0 0 8 30 1 0 0 0 0 8 52 1 0 0 0 0 9 25 1 0 0 0 0 9 53 1 0 0 0 0 9 54 1 0 0 0 0 10 25 1 0 0 0 0 10 55 1 0 0 0 0 10 56 1 0 0 0 0 11 26 1 0 0 0 0 11 57 1 0 0 0 0 11 58 1 0 0 0 0 12 26 1 0 0 0 0 12 59 1 0 0 0 0 12 60 1 0 0 0 0 13 39 1 0 0 0 0 13 41 2 0 0 0 0 14 40 1 0 0 0 0 14 42 2 0 0 0 0 15 41 1 0 0 0 0 15 69 1 0 0 0 0 15 70 1 0 0 0 0 16 41 1 0 0 0 0 16 71 1 0 0 0 0 16 72 1 0 0 0 0 17 42 1 0 0 0 0 17 73 1 0 0 0 0 17 74 1 0 0 0 0 18 42 1 0 0 0 0 18 75 1 0 0 0 0 18 76 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 19 43 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 20 44 1 0 0 0 0 21 24 1 0 0 0 0 21 45 1 0 0 0 0 22 24 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 29 31 2 0 0 0 0 29 33 1 0 0 0 0 30 32 2 0 0 0 0 30 34 1 0 0 0 0 31 35 1 0 0 0 0 31 61 1 0 0 0 0 32 36 1 0 0 0 0 32 62 1 0 0 0 0 33 37 2 0 0 0 0 33 63 1 0 0 0 0 34 38 2 0 0 0 0 34 64 1 0 0 0 0 35 39 2 0 0 0 0 35 65 1 0 0 0 0 36 40 2 0 0 0 0 36 66 1 0 0 0 0 37 39 1 0 0 0 0 37 67 1 0 0 0 0 38 40 1 0 0 0 0 38 68 1 0 0 0 0 M END $$$$