COMGENEX-ZINC04157485 MOE2007 3D Structure written by MMmdl. 45 46 0 0 0 0 0 0 0 0999 V2000 -9.6010 5.7000 -1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6200 6.0720 -0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4390 5.2730 -0.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4610 5.5020 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5260 6.3090 1.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2810 4.6010 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1780 4.7640 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 3.8520 0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6920 4.0840 1.9760 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 2.9620 1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 1.0430 1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 2.0110 0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 3.2280 0.6010 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 4.5600 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 4.6280 -1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 5.2900 -1.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1590 5.3640 -3.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 4.8380 -4.1620 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 4.2190 -3.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 4.0940 -2.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 1.8750 -0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1790 0.6370 -0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1610 5.8740 -2.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8520 4.6360 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5200 6.2860 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0640 5.8720 0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3600 7.1340 -0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 4.8500 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6340 3.5630 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5870 4.5370 2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8530 5.8120 1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 4.0850 -0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3020 2.8030 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -0.0180 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 5.3340 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 4.7550 0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9400 5.7470 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9680 5.8660 -3.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 3.8130 -4.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 3.5800 -1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 1.8960 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2440 2.6860 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0080 0.5840 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 1.6630 1.6130 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2590 1.2250 2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 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 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 10 13 1 0 0 0 0 10 44 2 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END