BCH1I3 -OEChem-04042102303D 33 35 0 0 0 0 0 0 0999 V2000 0.6476 -1.2643 2.5463 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.7616 0.6746 2.2608 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8254 -1.5681 -0.0218 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2439 2.9746 0.0489 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7443 0.4018 -0.5676 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5873 1.9289 -0.1332 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9323 0.7531 0.0233 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8577 -0.1852 -0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6903 1.1470 -0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8179 -1.2114 -0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3140 -0.4614 -0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0297 1.7749 0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7617 1.5422 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2128 -1.7590 0.9474 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4363 -1.6399 -1.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 1.3221 0.9189 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3501 1.3773 -1.4908 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7739 -2.7350 0.8071 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5503 -2.6161 -1.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1553 -3.1636 -0.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8544 0.9388 0.8174 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6873 0.9941 -1.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4395 0.7749 -0.4383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7434 2.9314 -0.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9366 0.8798 0.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8967 -1.2248 -2.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0592 1.4571 1.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 1.5455 -2.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2568 -3.1711 1.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8482 -2.9490 -2.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1364 0.8675 -2.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9243 -3.9226 -0.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1190 0.2906 0.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 21 1 0 0 0 0 3 11 2 0 0 0 0 4 12 2 0 0 0 0 5 23 1 0 0 0 0 5 33 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 24 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 10 14 1 0 0 0 0 10 15 2 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 15 19 1 0 0 0 0 15 26 1 0 0 0 0 16 21 1 0 0 0 0 16 27 1 0 0 0 0 17 22 2 0 0 0 0 17 28 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 19 30 1 0 0 0 0 20 32 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 22 31 1 0 0 0 0 M END $$$$