BU3PQ2 -OEChem-04042102313D 37 39 0 0 0 0 0 0 0999 V2000 -3.3992 0.2306 -2.7854 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.7618 -1.1822 2.4532 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0681 1.6704 -1.7594 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9728 1.0294 0.8028 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0339 -3.2788 -0.4371 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7285 -0.0382 -0.1274 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 -2.0131 -0.2994 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8932 -1.2152 0.2052 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9061 -0.1032 0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6336 -1.3674 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9515 0.9838 0.5405 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3752 0.0148 0.4868 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9156 -2.1051 -0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5675 1.8288 -0.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -1.5120 -0.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4246 1.1682 1.8187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3433 2.8583 -0.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5776 -1.5777 0.9295 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4162 -0.9497 -1.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4864 2.1975 2.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8703 3.0425 1.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7197 -0.4553 -1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8813 -1.0834 0.9723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4523 -0.5222 -0.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2644 2.3793 -2.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5448 -2.9969 -0.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8816 -1.4379 0.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 0.5184 2.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6487 3.5194 -1.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1289 -2.0172 1.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8419 -0.9007 -2.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 2.3401 3.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5808 3.8430 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1376 1.8196 -1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2661 3.3829 -1.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3251 2.4772 -3.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9541 0.3120 -1.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 3 14 1 0 0 0 0 3 25 1 0 0 0 0 4 12 2 0 0 0 0 5 13 2 0 0 0 0 6 24 1 0 0 0 0 6 37 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 7 26 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 27 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 16 2 0 0 0 0 14 17 2 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 28 1 0 0 0 0 17 21 1 0 0 0 0 17 29 1 0 0 0 0 18 23 1 0 0 0 0 18 30 1 0 0 0 0 19 22 2 0 0 0 0 19 31 1 0 0 0 0 20 21 2 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 25 34 1 0 0 0 0 25 35 1 0 0 0 0 25 36 1 0 0 0 0 M END $$$$