COMGENEX-ZINC04156038 MOE2007 3D Structure written by MMmdl. 45 47 0 0 0 0 0 0 0 0999 V2000 -6.7060 0.7160 4.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6760 1.3840 4.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9210 1.9670 2.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6670 2.6060 2.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8900 2.6990 2.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8400 3.1730 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3460 3.8540 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0740 4.3620 -1.1690 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.9350 3.6430 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4500 3.0660 0.9640 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 3.7060 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 2.2140 -1.2640 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 2.3920 -1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 3.2250 -1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 2.1220 -0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 1.6210 -0.3610 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 0.4100 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4350 0.5870 1.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -0.3090 2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -0.1170 3.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 0.8860 4.6070 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 1.7280 3.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 1.6220 2.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 1.5360 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 2.0070 -0.6600 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2370 0.2540 5.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1240 -0.0540 4.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9890 1.4440 5.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2340 2.1660 4.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3720 0.6400 3.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3800 4.0700 -0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 3.7860 0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2150 4.5870 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 3.9270 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7730 0.1670 0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 -0.4230 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -1.1450 2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 -0.7880 4.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 2.5180 4.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 2.3330 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 1.8370 1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 0.4470 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 1.6050 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 3.3550 -1.6680 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9040 4.0480 -2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 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 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 13 16 1 0 0 0 0 13 44 2 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END