BU3DB9 -OEChem-04022107362D 44 47 0 0 0 0 0 0 0999 V2000 3.7817 2.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.7708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -0.7847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7252 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0723 2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4708 2.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5312 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1272 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 1.8099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.5862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 0.7384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4803 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2402 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1272 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 20 2 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 12 1 0 0 0 0 4 14 1 0 0 0 0 4 20 1 0 0 0 0 4 23 1 0 0 0 0 5 11 2 0 0 0 0 6 9 2 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 12 21 2 0 0 0 0 12 22 1 0 0 0 0 13 17 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 15 18 1 0 0 0 0 15 28 1 0 0 0 0 16 19 2 0 0 0 0 16 29 1 0 0 0 0 17 24 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 21 25 1 0 0 0 0 21 34 1 0 0 0 0 22 26 2 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 27 2 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 M END $$$$