COMGENEX-ZINC04720571 MOE2007 3D Structure written by MMmdl. 56 58 0 0 1 0 0 0 0 0999 V2000 3.2850 8.0530 4.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6410 9.4330 4.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2890 9.7070 5.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6550 10.4720 3.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6070 10.2520 2.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 11.6900 4.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2420 12.7430 3.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 9.4500 2.8330 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 8.5060 3.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 8.0330 5.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 6.9060 4.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 7.2430 3.5260 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 6.3590 2.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 6.5220 1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 5.4870 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 4.0730 0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 3.1790 0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 1.9040 1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 1.5040 1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1670 2.3750 1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 3.6520 0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 5.7680 -1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 5.1870 -2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 5.4080 -3.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8190 6.2120 -3.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 6.7900 -2.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9650 6.5680 -1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 5.5900 4.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0030 5.6290 5.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6270 7.7050 3.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1620 8.0760 4.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 7.3080 4.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 13.6630 4.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2550 12.5220 4.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2310 12.8940 2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 8.2740 6.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 5.3350 2.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 6.5750 2.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 7.5380 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 6.4560 1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 5.5740 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 3.4700 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 1.2200 1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 0.5090 1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 2.0560 1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7310 4.3110 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 4.5500 -2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 4.9520 -4.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 6.3860 -4.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3290 7.4140 -2.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 7.0330 -0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 5.3450 3.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 4.8230 4.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4300 4.7530 5.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 8.9900 4.7870 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4850 9.9380 5.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 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 7 33 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 9 12 1 0 0 0 0 9 55 2 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 10 55 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 15 41 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 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END