B5S2NX -OEChem-04012116432D 40 43 0 0 0 0 0 0 0999 V2000 8.6038 -1.2073 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4392 -2.6163 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6366 -0.7903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 3.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4456 0.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6147 -0.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1147 -0.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0215 -1.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0160 -2.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4337 -2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4227 -2.9298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8404 -3.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8350 -3.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1426 3.0965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7441 3.7868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7441 1.6216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1426 2.3119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 4.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 4.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 4.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 1.0496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 3.5371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.8713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5745 1.2174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7313 -0.0674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0393 -2.9947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4760 -4.1359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0871 -4.3053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 0 0 0 3 14 1 0 0 0 0 3 18 1 0 0 0 0 4 11 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 32 1 0 0 0 0 13 16 1 0 0 0 0 13 33 1 0 0 0 0 14 17 2 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$