BS3J2X -OEChem-04022105192D 38 40 0 0 0 0 0 0 0999 V2000 3.6750 -0.5577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8982 5.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5526 2.2204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.6455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.6455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 1.2024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -0.5577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.3933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1349 2.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5471 2.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7281 3.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1294 2.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 0.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3104 4.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3159 4.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 3.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4915 6.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.3355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1115 3.9033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3816 2.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 1.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0637 5.2139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3338 3.5646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0579 6.5177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2393 6.8319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9251 6.0133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 20 1 0 0 0 0 2 21 1 0 0 0 0 2 25 1 0 0 0 0 3 17 2 0 0 0 0 4 24 1 0 0 0 0 4 38 1 0 0 0 0 5 24 2 0 0 0 0 6 17 1 0 0 0 0 6 20 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 20 2 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 17 1 0 0 0 0 10 18 2 0 0 0 0 10 19 1 0 0 0 0 12 15 1 0 0 0 0 12 26 1 0 0 0 0 13 16 2 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 18 22 1 0 0 0 0 18 30 1 0 0 0 0 19 23 2 0 0 0 0 19 31 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 25 35 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 M END $$$$