BGN3P0 -OEChem-04022114123D 35 36 0 0 0 0 0 0 0999 V2000 -0.9986 0.5383 0.3798 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4772 1.7980 0.8903 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4334 0.2957 0.3734 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9236 0.2224 -5.2128 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6543 2.8679 3.7032 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9252 1.2382 3.7617 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2842 -0.7801 1.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6878 -0.5467 2.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4238 0.4444 -1.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1584 0.8361 2.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7043 -2.0829 1.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2397 -1.6162 2.9602 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1378 -0.2963 -2.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7427 1.1106 -1.6683 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1526 -3.1525 1.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8195 -2.9191 2.6925 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6851 -0.3705 -3.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1954 1.0365 -2.9855 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4816 0.2960 -3.9276 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1739 1.6334 3.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1455 -0.5531 -6.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 1.3699 1.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0548 0.7558 3.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4602 -2.2866 0.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9962 -1.4551 3.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0461 -0.8261 -1.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3196 1.6868 -0.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4797 -4.1670 1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2486 -3.7519 3.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 -0.9639 -4.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1059 1.5560 -3.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0168 3.3852 4.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -1.6089 -5.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8579 -0.1338 -6.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6422 -0.5017 -7.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 4 19 1 0 0 0 0 4 21 1 0 0 0 0 5 20 1 0 0 0 0 5 32 1 0 0 0 0 6 20 2 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 20 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 15 1 0 0 0 0 11 24 1 0 0 0 0 12 16 1 0 0 0 0 12 25 1 0 0 0 0 13 17 1 0 0 0 0 13 26 1 0 0 0 0 14 18 2 0 0 0 0 14 27 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 17 19 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 M END $$$$