B3ERQ9 -OEChem-04042102483D 86 90 0 1 0 0 0 0 0999 V2000 4.6352 1.1083 -0.6330 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3783 1.7208 -1.4814 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1523 2.3865 -0.1437 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4773 1.0685 -1.8144 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4006 4.5018 1.7004 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4708 5.9695 -2.1186 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8774 5.5390 -0.3856 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0114 1.2842 0.3917 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2961 0.0324 -0.8332 N 0 0 2 0 0 0 0 0 0 0 0 0 -5.1481 -2.5092 1.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8935 -4.0097 1.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9452 -2.2750 0.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1974 -4.8058 1.7339 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2449 -3.0783 0.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9899 -4.5644 0.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8589 -1.7083 1.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6620 -0.7319 2.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8707 -1.9489 0.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4887 -0.2374 1.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4769 0.0033 2.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6858 -1.2134 0.6136 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2223 0.5499 1.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 1.1198 -0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1699 0.1413 0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9922 2.3117 0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6024 -1.3805 -1.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5431 0.3498 0.6849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5315 -1.9887 -2.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7424 2.9296 1.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1772 2.6734 -1.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6776 3.9093 0.7084 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1126 3.6528 -1.6267 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5349 -0.5887 0.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 0.6917 2.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2226 -1.4207 -3.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8449 -3.1209 -1.6089 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8627 4.2710 -0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2506 -1.1850 1.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9825 0.0951 3.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2269 -1.9850 -4.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -3.6851 -2.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9743 -0.8433 2.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5402 -3.1173 -3.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8338 5.2909 -0.9965 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7394 -1.4819 3.8709 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5235 -3.7213 -4.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7779 -2.1615 2.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3858 -4.1644 2.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2274 -4.4126 0.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3519 -2.5578 -0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1775 -1.2085 0.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9772 -5.8746 1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8080 -4.5225 2.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9155 -2.6956 0.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7573 -2.9386 -0.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4382 -4.9781 -0.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9454 -5.0984 0.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4210 -0.5339 3.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0019 -2.7045 -0.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3365 0.7518 3.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9238 -1.4150 -0.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1731 1.2445 2.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5762 -0.1612 1.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6928 -0.8326 0.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5259 0.4865 1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7549 -1.9626 -0.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5382 -1.4341 -1.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6031 2.7168 2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6881 2.1720 -2.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2565 3.8917 -2.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7658 -0.8713 -0.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4994 1.4196 2.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7517 -0.5399 -3.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0731 -3.5729 -0.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0217 -1.9138 1.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7592 0.3708 4.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9945 -1.5324 -5.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 -4.5654 -2.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0440 -2.5000 3.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1313 -1.5561 4.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6352 -0.8948 4.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4967 -3.2876 -4.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3252 -3.5472 -5.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5749 -4.8060 -4.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9761 5.1939 1.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1305 6.6541 -2.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 9 1 0 0 0 0 1 27 1 0 0 0 0 2 23 2 0 0 0 0 5 31 1 0 0 0 0 5 85 1 0 0 0 0 6 44 1 0 0 0 0 6 86 1 0 0 0 0 7 44 2 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 8 25 1 0 0 0 0 9 24 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 47 1 0 0 0 0 11 13 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 12 14 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 15 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 14 15 1 0 0 0 0 14 54 1 0 0 0 0 14 55 1 0 0 0 0 15 56 1 0 0 0 0 15 57 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 17 58 1 0 0 0 0 18 21 2 0 0 0 0 18 59 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 60 1 0 0 0 0 21 61 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 24 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 25 29 2 0 0 0 0 25 30 1 0 0 0 0 26 28 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 27 33 2 0 0 0 0 27 34 1 0 0 0 0 28 35 2 0 0 0 0 28 36 1 0 0 0 0 29 31 1 0 0 0 0 29 68 1 0 0 0 0 30 32 2 0 0 0 0 30 69 1 0 0 0 0 31 37 2 0 0 0 0 32 37 1 0 0 0 0 32 70 1 0 0 0 0 33 38 1 0 0 0 0 33 71 1 0 0 0 0 34 39 2 0 0 0 0 34 72 1 0 0 0 0 35 40 1 0 0 0 0 35 73 1 0 0 0 0 36 41 2 0 0 0 0 36 74 1 0 0 0 0 37 44 1 0 0 0 0 38 42 2 0 0 0 0 38 75 1 0 0 0 0 39 42 1 0 0 0 0 39 76 1 0 0 0 0 40 43 2 0 0 0 0 40 77 1 0 0 0 0 41 43 1 0 0 0 0 41 78 1 0 0 0 0 42 45 1 0 0 0 0 43 46 1 0 0 0 0 45 79 1 0 0 0 0 45 80 1 0 0 0 0 45 81 1 0 0 0 0 46 82 1 0 0 0 0 46 83 1 0 0 0 0 46 84 1 0 0 0 0 M END $$$$