NIH-ZINC01052742 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 57 0 0 1 0 0 0 0 0999 V2000 -1.2690 -0.2060 -2.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 0.7820 -1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 0.1340 -1.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -0.2720 -1.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 -0.2020 -3.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -0.6780 -3.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4640 -1.2090 -2.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -1.2900 -1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9790 -0.8050 -0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -0.7810 0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 -1.2520 1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 -1.7550 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0280 -1.7740 -0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -0.1850 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -0.0310 1.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0370 -1.6910 -3.4540 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9820 -1.5390 -4.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0400 -0.9950 -2.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1230 -3.3340 -3.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5270 -4.3290 -4.0350 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8940 -3.8460 -4.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7940 -5.4380 -3.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5390 -4.9690 -2.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 -4.8810 -1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 -4.4050 -1.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 -4.2310 -0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 -4.1940 -2.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 -4.5420 -3.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 -4.4180 -4.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -3.9470 -4.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -3.6070 -3.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 -3.7240 -2.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7530 -5.0270 -4.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8420 -4.7990 -4.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.7270 -2.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 -0.9570 -1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 0.3150 -2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 1.5200 -2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 1.3260 -0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 0.2060 -3.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6820 -0.6220 -4.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9420 -1.2280 2.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2090 -2.1360 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0200 -2.1770 -0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1160 -3.6360 -2.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5230 -6.2490 -3.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4570 -5.8900 -2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9830 -5.1050 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 -4.6840 -5.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 -3.8500 -5.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 -3.2430 -4.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 -3.4560 -1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5190 -5.7210 -5.7170 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 14 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 2 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 2 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 33 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 31 2 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 M CHG 1 53 -1 M END