COMGENEX-ZINC04951262 MOE2007 3D Structure written by MMmdl. 56 56 0 0 0 0 0 0 0 0999 V2000 3.0080 4.1980 3.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0950 4.3680 2.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6560 3.1170 1.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7400 3.2930 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2700 2.0900 -0.5940 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7200 2.0360 -0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1170 2.5490 -2.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6050 2.3990 -2.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4140 2.2610 -1.4710 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 2.4360 -3.7130 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3630 2.2780 -4.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8700 0.8510 -3.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2760 1.3870 -3.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6850 -0.7710 -4.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5090 0.9840 -1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0340 -0.0060 -1.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 1.0070 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 1.8700 -1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 1.4350 -0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 0.3410 -0.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3850 0.0740 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 -1.1060 0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 1.8940 -0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3520 3.3620 4.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9960 4.0090 4.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6040 5.1050 4.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7310 5.2310 2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 4.5870 1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 2.2540 1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6530 2.8960 1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3910 4.1380 -0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7550 3.5370 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2080 2.6150 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0600 1.0000 -0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5820 1.9950 -2.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8580 3.6080 -2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2680 2.5820 -4.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4370 2.5310 -5.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9460 3.0110 -3.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7850 0.5440 -2.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2860 0.1500 -4.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1290 0.9940 -2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2940 1.1960 -3.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0770 2.4600 -3.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0260 -1.2170 -5.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7230 -0.8340 -4.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5580 -1.2530 -3.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 2.7050 -1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -1.4080 1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 -1.9500 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 -0.8870 1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 1.1090 -1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 2.1500 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 2.7800 -1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3220 0.6870 -4.2510 N 0 3 0 0 0 0 0 0 0 0 0 0 11.4480 1.1010 -5.1850 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 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 12 55 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 13 55 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 14 55 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 18 19 2 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END