BX5SH4 -OEChem-04022101302D 23 23 0 1 0 0 0 0 0999 V2000 3.4699 1.3907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6454 1.3907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 -1.6565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5576 -0.9571 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7486 -0.3693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0576 0.5817 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0576 0.5817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3667 -0.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 -0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5576 -1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6516 -0.9817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4453 0.4847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7762 1.1341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6767 -0.9063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9331 -0.1172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7113 -0.0644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1779 -0.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9376 -1.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5576 -2.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1776 -1.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 1.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2620 1.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 1 0 0 0 1 21 1 0 0 0 0 7 2 1 6 0 0 0 2 22 1 0 0 0 0 3 9 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 6 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 M END $$$$