NIH-ZINC04040405 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 71 0 0 1 0 0 0 0 0999 V2000 -0.1630 1.5570 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 0.0730 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -0.8960 1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 -2.1510 0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -1.9720 -0.6540 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -2.7120 -1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -0.6310 -0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -0.1350 -2.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 1.0410 -2.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -1.1930 -3.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.8250 -4.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -3.5100 1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -0.6410 2.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 -0.8850 3.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 -0.6250 5.0930 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6620 0.4400 5.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 -0.8300 5.6040 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 -1.3130 4.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2920 -1.5730 4.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 -1.3930 3.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 -1.7780 2.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 -0.5340 6.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3510 0.8240 7.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0840 2.1780 8.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9190 2.2580 9.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0780 2.3300 10.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2570 1.1640 10.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 1.0120 9.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -1.4890 5.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -0.8390 6.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 -1.5670 7.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 -2.9550 7.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -3.6200 6.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -2.9010 5.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 -3.4860 5.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 -4.8990 4.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -0.0770 3.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 1.9940 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 1.9810 -0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 1.8630 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -1.7420 -5.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -0.2390 -4.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 -0.2680 -4.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 -3.8440 1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 -4.2380 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -3.5170 2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3310 -1.3280 7.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7680 -0.5700 7.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 1.6540 7.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0550 0.9400 6.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7220 2.0660 7.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4340 3.0530 8.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5350 3.1620 9.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5930 1.3980 9.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6580 1.2720 11.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8950 0.2810 10.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 1.8720 9.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 0.0850 9.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 0.2470 6.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0220 -1.0510 7.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9160 -3.5250 7.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 -4.7050 6.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -5.4120 5.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 -5.1760 4.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -5.2180 4.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 -0.0900 2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1690 0.9560 8.3300 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.7860 0.1320 8.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 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 11 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 67 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 67 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 67 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 31 60 1 0 0 0 0 32 33 2 0 0 0 0 32 61 1 0 0 0 0 33 34 1 0 0 0 0 33 62 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 67 68 1 0 0 0 0 M CHG 1 67 1 M END