NIH-ZINC04034423 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 70 0 0 1 0 0 0 0 0999 V2000 2.1420 -1.9880 -1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 -1.9530 -0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -2.1270 -1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -0.7670 0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 -0.8670 1.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 0.4830 2.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 -2.4910 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 -4.0090 -0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 -4.4010 -1.2720 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2320 -5.7000 -1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 -6.5430 -1.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5760 -6.1040 -2.0690 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.3590 -5.8020 -1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7980 -5.4290 -3.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5850 -4.2950 -3.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7880 -3.6760 -4.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2040 -4.1910 -5.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4160 -5.3240 -5.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2090 -5.9400 -4.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6140 -7.5570 -2.2470 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0230 -8.3870 -1.9870 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.7440 -9.7510 -2.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5250 -7.9420 -0.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1770 -7.8500 -3.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2550 -8.5070 -4.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1580 -8.0890 -5.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9900 -7.0070 -5.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9100 -6.3500 -3.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0080 -6.7760 -2.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8120 -5.1770 -3.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0560 -4.3990 -4.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4440 -5.3470 -6.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2490 -4.9970 -6.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9070 -6.5790 -6.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1370 -1.8640 -1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0860 -2.9450 -2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 -1.1800 -2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -2.7610 0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -0.9960 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 -1.3190 -1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 -3.0840 -1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8840 -0.0750 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 -0.4030 0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1240 -1.1370 1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 -1.6290 2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 0.4120 3.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 0.7540 2.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 1.2460 2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 -2.0030 -1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 -2.1920 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 -4.3100 -1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5010 -4.4970 0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6420 -3.7270 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0420 -3.8940 -2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4040 -2.7910 -4.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3630 -3.7080 -6.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9590 -5.7260 -6.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5900 -6.8230 -4.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8130 -8.0340 -2.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6080 -9.3480 -4.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2180 -8.6020 -6.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9480 -6.2670 -1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7630 -5.5360 -3.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3410 -4.5230 -2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8590 -3.6780 -4.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1460 -3.8690 -5.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1580 -7.1740 -6.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -2.0930 -0.0510 N 0 0 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 40 1 0 0 0 0 3 41 1 0 0 0 0 3 68 1 0 0 0 0 4 5 1 0 0 0 0 4 42 1 0 0 0 0 4 43 1 0 0 0 0 4 68 1 0 0 0 0 5 6 1 0 0 0 0 5 44 1 0 0 0 0 5 45 1 0 0 0 0 6 46 1 0 0 0 0 6 47 1 0 0 0 0 6 48 1 0 0 0 0 7 8 1 0 0 0 0 7 49 1 0 0 0 0 7 50 1 0 0 0 0 7 68 1 0 0 0 0 8 9 1 0 0 0 0 8 51 1 0 0 0 0 8 52 1 0 0 0 0 9 10 1 0 0 0 0 9 53 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 54 1 0 0 0 0 16 17 1 0 0 0 0 16 55 1 0 0 0 0 17 18 2 0 0 0 0 17 56 1 0 0 0 0 18 19 1 0 0 0 0 18 57 1 0 0 0 0 19 58 1 0 0 0 0 20 21 1 0 0 0 0 20 59 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 60 1 0 0 0 0 26 27 1 0 0 0 0 26 61 1 0 0 0 0 27 28 2 0 0 0 0 27 34 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 62 1 0 0 0 0 30 31 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 31 32 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 67 1 0 0 0 0 M END