B91ICA -OEChem-04022117573D 33 36 0 0 0 0 0 0 0999 V2000 1.2021 4.1216 -0.3548 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2313 0.4536 -0.0812 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4267 1.0285 -0.2912 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2205 2.3357 -0.4090 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9258 -3.6932 0.4202 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1659 1.0686 0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 1.3740 -0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1896 -0.0853 -0.5546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8819 0.4752 0.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8317 0.2213 -0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8467 1.6198 1.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1959 1.3259 1.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1297 -0.9255 0.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8757 -0.9361 -1.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2399 0.1686 0.7304 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8796 2.5638 -0.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2249 -1.2298 -1.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9057 -0.6786 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1219 -1.4600 0.8801 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0358 -1.7732 -0.5425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0636 -2.8379 1.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8919 -3.1371 -0.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3037 -0.1967 -1.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3435 2.2770 1.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7078 1.7668 2.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3635 -1.3787 -2.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7919 0.5880 1.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7438 -1.8893 -1.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9560 -0.9077 -0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4453 -0.8802 1.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8340 -1.4083 -1.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3129 -3.3039 1.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5712 -3.8411 -0.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 13 1 0 0 0 0 3 4 2 0 0 0 0 4 16 1 0 0 0 0 5 21 2 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 16 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 2 0 0 0 0 9 12 1 0 0 0 0 9 15 2 0 0 0 0 10 23 1 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 17 1 0 0 0 0 14 26 1 0 0 0 0 15 18 1 0 0 0 0 15 27 1 0 0 0 0 17 18 2 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 19 21 1 0 0 0 0 19 30 1 0 0 0 0 20 22 2 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 M END $$$$