B9VLE0 -OEChem-04012114243D 43 45 0 0 0 0 0 0 0999 V2000 5.2721 0.4716 0.4828 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9070 1.7577 0.4301 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9244 -0.7048 -0.5289 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5983 -1.1295 -0.2010 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6813 1.5457 -0.3183 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0782 -3.8494 -0.6893 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7075 -1.5416 0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3850 -2.0470 -0.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0565 -0.2415 -0.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3316 0.2453 0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0273 0.6852 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8311 -1.5978 -0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6336 -2.3548 0.7786 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2577 -0.5678 0.7004 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2010 1.2527 0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9087 -1.8679 1.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1548 -3.3808 -0.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9429 1.5074 -0.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0669 -2.9338 -0.7188 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2894 2.6324 0.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0314 2.8873 -0.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2047 3.4497 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9023 2.2025 -0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8780 3.6087 -0.6601 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3365 -0.0295 1.8161 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3525 0.4032 -0.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3950 -3.3644 1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8223 -1.1771 -0.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2619 -0.2618 0.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6276 -2.4998 1.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9293 -4.1384 -0.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 1.1162 -1.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0529 -3.3237 -0.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9516 2.0755 -0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2007 3.0781 0.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1904 3.5249 -0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2745 4.5243 0.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1145 4.1933 -0.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8524 4.0815 -0.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6558 3.5884 -1.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4575 -0.6401 2.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4168 0.7956 2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2286 -0.6556 1.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 25 1 0 0 0 0 2 23 2 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 28 1 0 0 0 0 4 8 1 0 0 0 0 4 12 2 0 0 0 0 5 10 1 0 0 0 0 5 23 1 0 0 0 0 5 34 1 0 0 0 0 6 17 1 0 0 0 0 6 19 2 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 17 2 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 14 2 0 0 0 0 11 15 1 0 0 0 0 11 18 2 0 0 0 0 12 19 1 0 0 0 0 13 16 2 0 0 0 0 13 27 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 15 20 2 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 21 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$