BVRE50 -OEChem-04042102313D 40 42 0 0 0 0 0 0 0999 V2000 -5.1317 0.6928 0.3687 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8721 -1.5031 1.9328 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7035 -1.5016 -0.7868 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3924 2.9914 0.0471 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6848 2.0717 0.1326 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9446 0.7799 -0.4156 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8274 -0.0624 -0.3416 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7389 1.2554 -0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7304 -1.0284 -0.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2586 -0.3910 -0.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1082 1.8200 -0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 -1.7120 0.7159 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6835 1.7487 0.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1208 -1.2613 -1.6513 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -2.6284 0.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9263 -2.1775 -1.7498 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4635 1.7991 -0.9691 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2666 1.3748 1.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3636 -2.8611 -0.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8195 1.4772 -0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6228 1.0531 1.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3992 1.1044 0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9809 -2.3322 2.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2248 -0.7096 -0.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8955 3.0556 0.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 0.8649 -0.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4494 -0.7370 -2.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1015 -3.1633 1.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4021 -2.3577 -2.7092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0231 2.0898 -1.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6716 1.3312 2.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1803 -3.5730 -0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4061 1.5304 -1.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0566 0.7633 2.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9010 -1.9295 1.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8309 -3.3642 1.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0830 -2.3335 3.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2383 -1.1190 -0.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5258 -1.4944 -0.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9965 -0.3915 -1.8004 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 24 1 0 0 0 0 2 12 1 0 0 0 0 2 23 1 0 0 0 0 3 10 2 0 0 0 0 4 11 2 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 5 25 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 14 2 0 0 0 0 12 15 2 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 15 19 1 0 0 0 0 15 28 1 0 0 0 0 16 19 2 0 0 0 0 16 29 1 0 0 0 0 17 20 1 0 0 0 0 17 30 1 0 0 0 0 18 21 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 22 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 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 M END $$$$