BPUA96 -OEChem-04022110283D 37 39 0 1 0 0 0 0 0999 V2000 4.1968 1.3363 0.2025 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4048 -0.2541 0.8562 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 -3.1655 0.3854 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -2.8099 -1.1394 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 2.1041 1.1044 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3440 0.6033 0.7155 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8961 0.0597 0.1046 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9029 1.9652 -0.4656 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 -1.3036 0.6133 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9104 -0.0504 0.2912 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9321 2.2292 -0.4360 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5677 -0.8309 0.2212 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0801 -2.0666 -0.5246 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6531 -1.6892 -0.8689 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2196 -0.9215 0.3756 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1788 0.2183 -0.6974 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2367 -0.1695 0.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 1.3551 -0.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7944 2.4534 -1.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8433 1.0239 -0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2335 1.0599 -0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1828 -1.1470 0.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2657 -1.1074 1.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6772 -2.3462 -1.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6413 -1.0323 -1.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1554 -1.5778 1.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 0.8127 -1.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8306 -0.2501 -1.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0286 -3.3533 0.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2434 -3.2978 -1.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2227 1.8007 -0.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4422 3.1882 -0.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3594 1.8838 -1.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 2.9524 -1.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7570 -2.0172 0.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4295 3.0592 -0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9422 2.2301 -0.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 16 1 0 0 0 0 1 19 1 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 3 13 1 0 0 0 0 3 29 1 0 0 0 0 4 14 1 0 0 0 0 4 30 1 0 0 0 0 7 15 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 18 2 0 0 0 0 8 20 1 0 0 0 0 9 17 2 0 0 0 0 9 22 1 0 0 0 0 10 21 1 0 0 0 0 10 22 2 0 0 0 0 11 21 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 20 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 22 35 1 0 0 0 0 M END $$$$