B3GVD8 -OEChem-04022109263D 17 16 0 0 0 0 0 0 0999 V2000 1.6548 -0.1696 0.0017 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 1.0590 -0.0152 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6677 -0.9093 -1.2458 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6775 -0.8609 1.2766 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8295 -0.4471 -0.0108 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3971 -0.1394 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7658 0.5298 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0395 0.9375 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2876 -0.7633 0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -0.7926 -0.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8709 1.1753 -0.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8842 1.1662 0.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9536 0.3399 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9963 1.5386 -0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0032 1.5730 0.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7486 -1.0616 0.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7357 -1.0491 -0.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 2 6 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 M END $$$$