COMGENEX-ZINC04156910 MOE2007 3D Structure written by MMmdl. 49 50 0 0 0 0 0 0 0 0999 V2000 -3.3490 -3.2570 9.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3600 -1.9010 9.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2930 -2.1080 7.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 -0.9660 7.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3470 0.1710 7.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 -1.3260 5.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1570 -0.0830 4.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 -0.4650 3.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9930 1.0280 2.2140 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9400 0.2660 0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6830 -0.6380 -1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3050 -0.6990 -1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 -0.1070 -0.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 0.0900 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 1.4750 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 1.6780 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 2.2030 1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 2.3670 1.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1560 2.0060 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 1.4800 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 1.3140 -0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 -1.2410 -2.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 -1.6780 -3.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1970 -3.8630 9.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 -3.8100 9.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 -3.1500 11.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 -1.3150 9.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2840 -1.3680 9.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1240 -1.9080 5.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3420 -1.9470 5.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 0.5010 4.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 0.5530 4.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0060 -1.0220 2.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 -1.0990 3.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4610 -0.9470 -1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -0.6950 -0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 -0.0630 1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 1.6140 -1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 2.2560 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 2.4920 2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3680 2.7800 2.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 2.1370 1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 1.2000 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 0.9050 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7190 -0.4610 -2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 -2.0910 -1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 -2.0150 -4.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 -0.0400 -0.0480 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.9740 0.1640 0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 10 13 1 0 0 0 0 10 48 2 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END