BGW02I -OEChem-04022114033D 42 44 0 1 0 0 0 0 0999 V2000 -3.9588 1.4939 0.2915 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1539 0.5093 0.9381 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2108 -1.9638 -1.5059 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5953 -1.9307 -0.1329 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7407 2.7696 0.4638 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8056 0.2792 0.3138 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7357 1.8829 0.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6338 -1.6601 0.5731 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9899 -1.0233 0.5577 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3287 -3.2574 0.7995 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 -0.7267 -1.0286 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1691 -0.3691 0.3554 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1989 -0.7322 -0.7981 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3782 0.4263 0.1747 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5970 1.7623 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4033 -0.3480 0.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5539 1.6174 0.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 0.6636 0.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6828 0.2866 0.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9615 -1.9023 0.6338 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3234 0.5544 -0.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6491 1.2433 -0.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0915 0.4247 -1.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4347 0.0513 -1.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0562 -1.2446 1.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7809 -0.6516 -1.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1847 0.2476 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7427 2.0335 -1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5031 1.7388 -1.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6803 -2.1633 -2.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5532 -1.8726 0.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3425 2.3494 0.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8818 3.6105 -0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3723 -0.4452 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6883 2.2542 -0.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4810 0.6753 -0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8269 1.3131 0.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0504 1.4030 -2.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9087 -0.1399 -2.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1631 -0.1120 -2.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6079 -3.9629 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3075 -3.5036 0.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 21 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 11 1 0 0 0 0 3 30 1 0 0 0 0 4 13 1 0 0 0 0 4 31 1 0 0 0 0 5 15 1 0 0 0 0 5 33 1 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 17 2 0 0 0 0 7 18 1 0 0 0 0 8 16 1 0 0 0 0 8 20 2 0 0 0 0 9 19 2 0 0 0 0 9 20 1 0 0 0 0 10 20 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$