B86DMR -OEChem-04022109443D 31 32 0 0 0 0 0 0 0999 V2000 -0.5177 -2.4248 -0.2183 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9916 -1.2280 2.1168 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1991 -1.5422 -1.2954 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1466 0.3434 -0.6906 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1528 -0.4192 -0.7404 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6351 -0.4282 0.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8309 1.2467 0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9311 0.0045 -0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 -0.8408 -0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5143 0.7983 0.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6225 1.6437 1.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5413 -1.3250 0.3147 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9988 2.1763 0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8599 -0.1963 0.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8538 -0.9046 0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6218 0.1076 -1.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0631 0.1794 0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5868 0.7873 -1.9278 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0282 0.8590 0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7900 1.1630 -1.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -1.8124 -0.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4086 1.1384 1.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5256 2.6075 1.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8219 1.7547 1.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3206 2.5125 -0.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 3.0956 1.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6984 -0.1703 -1.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2689 -0.0469 1.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4019 1.0238 -2.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9652 1.1518 0.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5415 1.6921 -1.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 15 2 0 0 0 0 3 5 1 0 0 0 0 4 5 2 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 9 21 1 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 15 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 16 27 1 0 0 0 0 17 19 2 0 0 0 0 17 28 1 0 0 0 0 18 20 2 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 M CHG 2 3 -1 5 1 M END $$$$