BCA3S8 -OEChem-04022105253D 34 36 0 0 0 0 0 0 0999 V2000 -1.7510 0.9451 -2.1630 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -0.6493 0.0541 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9038 -2.1856 -0.1312 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5701 0.0144 0.0979 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7218 1.0673 0.1510 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8888 0.4099 0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6394 -1.6520 -0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0727 -1.2888 -0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4985 -1.2324 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8868 1.7795 0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5273 2.1275 0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6210 -0.3250 0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0081 -2.8688 -0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3802 -2.5964 -0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0348 -0.5200 0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9484 3.4788 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8247 0.6935 -0.8305 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5131 -0.4900 1.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9204 1.5470 -0.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6087 0.3635 1.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8124 1.3820 0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7487 2.4293 0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -3.8343 -0.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1897 -3.3097 -0.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0163 -1.2291 0.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9802 0.0298 0.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0531 -1.0697 -0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3186 3.6866 -0.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7289 4.2456 0.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3336 3.5789 1.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3712 -1.2762 1.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0941 2.3460 -1.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3031 0.2357 2.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6655 2.0467 0.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 5 11 2 0 0 0 0 6 10 2 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 9 12 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 2 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 31 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 M END $$$$