NIH-ZINC04103429 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 -2.8830 2.0060 0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2280 0.6680 0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 0.3160 1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -0.9150 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 -1.8030 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 -3.0900 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 -3.9250 -1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 -3.5660 -1.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 -4.3750 -2.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 -2.3420 -1.5690 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3320 -2.0950 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 -1.4450 -0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6920 -0.2190 -0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -5.2360 -1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8320 -6.8340 -0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2680 -7.2050 -0.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2810 -8.3030 -1.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2140 -8.5020 -1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 -7.5520 -2.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -7.2970 -3.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 -6.3170 -4.4910 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -6.4920 -5.7430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 -7.5580 -5.7820 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 -8.0690 -4.5400 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 -9.2570 -4.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 -10.4040 -3.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 -10.9060 -4.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 -11.9660 -4.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -12.5330 -2.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -12.0610 -2.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 -11.0020 -2.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 -13.5520 -2.5710 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 2.7450 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9520 1.9530 0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7930 2.3460 1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 1.0020 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -1.1630 1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -3.3260 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5480 0.0550 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -5.0950 -2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -5.5720 -0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -6.0080 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -7.6780 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8240 -7.4930 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7800 -6.3590 -1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -8.4240 -2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -7.7610 -1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -9.5490 -5.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 -8.9670 -3.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 -10.4750 -5.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 -12.3560 -4.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -12.5270 -1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 -10.6530 -1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 -6.3910 -1.6140 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7190 -5.9970 -2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 13 2 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 12 2 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 14 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 12 1 0 0 0 0 12 13 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 54 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 54 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END