BU43OX -OEChem-04022100362D 29 31 0 1 0 0 0 0 0999 V2000 8.2890 1.9450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1641 0.4791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 -0.8772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0240 1.9538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7652 0.9879 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5441 0.1222 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2874 2.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7151 0.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9907 1.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4229 1.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7310 -1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8481 -0.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7659 -2.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9178 -2.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0349 -2.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5452 0.1668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0019 -0.1784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6052 3.4688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6742 3.0284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1402 0.9137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 0.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9857 2.2626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3764 1.7264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8264 -0.3180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3133 -2.6976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4526 -1.1765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9395 -3.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5091 -2.7955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 5 1 0 0 0 0 2 10 1 0 0 0 0 6 3 1 1 0 0 0 3 11 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 6 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 13 15 2 0 0 0 0 13 26 1 0 0 0 0 14 16 2 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 M END $$$$