NIH-ZINC03959424 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.7300 1.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.0670 0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -3.0870 1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -4.3960 1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -4.7510 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -3.7760 -0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -2.4310 -0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.9570 -1.4140 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -6.4520 -0.3060 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 -6.5050 -1.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 -7.1580 0.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 -6.9480 -0.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 -6.3740 -1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5980 -7.2280 -1.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7320 -8.2170 -0.8960 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5520 -6.8910 -2.4750 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7640 -7.7100 -2.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9490 -8.0340 -4.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9410 -6.7860 -4.8880 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 -6.0990 -4.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4120 -5.6920 -3.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2670 -7.0230 -6.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3130 -5.9620 -7.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6390 -6.2120 -8.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9100 -7.5200 -8.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8460 -8.5250 -7.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -2.8290 2.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -5.1680 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -4.0530 -1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 -7.6180 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6510 -5.3640 -1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8350 -6.3410 -2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6550 -8.6350 -2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6290 -7.1550 -2.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1350 -8.6760 -4.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9000 -8.5460 -4.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8510 -6.7680 -5.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6540 -5.2080 -5.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1490 -4.9470 -3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 -5.2830 -3.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0970 -4.9560 -6.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6830 -5.4080 -9.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1680 -7.7490 -9.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0560 -9.5440 -8.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5270 -8.2580 -6.6200 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 50 2 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 M END