BNWA91 -OEChem-04022113203D 22 23 0 0 0 0 0 0 0999 V2000 5.1814 0.5783 -0.3621 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4081 -0.1315 -0.2777 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4151 -0.7778 0.3662 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5600 0.4205 -1.6109 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1425 -1.5441 -0.0908 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2745 0.8380 0.5545 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0584 1.4357 0.2515 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2191 0.7113 0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9331 -0.6441 0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8637 0.5084 0.3892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5505 1.1150 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8784 -1.6584 0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8919 0.2682 0.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 0.1194 -0.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2015 -1.2389 -0.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4388 1.8530 0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8040 2.1689 -0.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6110 -2.7059 0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7210 -0.2741 0.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7725 -0.0466 1.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0690 1.3433 0.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9788 -1.9967 -0.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 2 13 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 11 14 2 0 0 0 0 11 17 1 0 0 0 0 12 15 2 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 15 22 1 0 0 0 0 M END $$$$