BCD45N -OEChem-04022103182D 40 43 0 0 0 0 0 0 0999 V2000 2.2825 5.3500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -5.3500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6282 2.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 0.3913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1237 -0.5597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8147 0.3913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2269 1.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -3.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5057 -0.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -4.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6337 2.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -4.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0459 2.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -3.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -5.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0514 2.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4526 3.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4636 3.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8648 4.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8703 4.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7129 1.5470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7962 0.7543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -2.3375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9160 -0.7513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 -2.3375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -4.7675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 -3.9575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 -3.1343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 -5.5569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7992 2.2520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0692 3.9013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -4.4191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 3.5626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1170 5.2119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 20 1 0 0 0 0 2 23 1 0 0 0 0 3 15 2 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 13 2 0 0 0 0 8 12 2 0 0 0 0 9 15 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 13 17 1 0 0 0 0 13 31 1 0 0 0 0 14 19 1 0 0 0 0 14 20 2 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 2 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 24 1 0 0 0 0 21 36 1 0 0 0 0 22 25 2 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 26 2 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$