BU7GI8 -OEChem-04022107322D 55 58 0 1 0 0 0 0 0999 V2000 8.1301 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 12.4603 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7282 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3297 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1267 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2048 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8063 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1267 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3297 3.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6501 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2516 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9972 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4728 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0742 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 -0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 2.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2422 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4822 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 16 2 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 8 4 1 1 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 7 19 2 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 17 20 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 21 1 0 0 0 0 20 27 3 0 0 0 0 21 24 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 25 2 0 0 0 0 23 24 1 0 0 0 0 23 26 2 0 0 0 0 24 48 1 0 0 0 0 25 28 1 0 0 0 0 25 49 1 0 0 0 0 26 29 1 0 0 0 0 26 50 1 0 0 0 0 27 30 1 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 M END $$$$