NIH-ZINC04039387 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 63 0 0 1 0 0 0 0 0999 V2000 -0.5370 1.2200 0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 -0.2130 0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6970 -0.8660 0.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 -2.1750 0.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -2.7780 1.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 -2.7100 0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5870 -3.9820 0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9210 -3.9570 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1300 -2.7250 -0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9940 -1.9870 -0.3940 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8490 -1.0350 -0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3030 -2.1600 -1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9230 -4.9660 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4760 -5.3050 1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2130 -4.7830 2.6780 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1770 -5.0070 2.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0560 -5.6270 3.5290 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8810 -6.4760 2.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7250 -7.2480 3.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5400 -6.3070 1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0530 -6.8890 0.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9420 -5.6550 4.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2610 -5.4380 5.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3620 -4.0940 5.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2670 -2.9590 6.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5190 -3.3090 2.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6030 -2.4900 3.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9070 -1.1490 3.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0500 -0.5770 3.2730 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9070 -1.3680 2.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6960 -2.7200 2.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3170 -5.5220 -1.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 -5.1220 1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 1.7620 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 1.2490 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 1.7410 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -0.7280 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 -0.2270 1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2660 -1.0660 -1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3270 -2.5270 -2.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2380 -2.4480 -0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5570 -6.6480 5.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1880 -4.9250 5.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9960 -6.2010 5.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1100 -5.4810 6.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6410 -4.3300 6.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7430 -4.8480 4.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7280 -3.1060 5.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1820 -2.9800 6.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5420 -3.0990 7.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6690 -2.0190 5.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6600 -2.8780 3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2200 -0.4810 4.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8010 -0.8710 2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4360 -3.2850 1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0280 -6.1780 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 -4.9110 2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4610 -6.0520 1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 -5.2970 0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8610 -4.0850 5.4210 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.6380 -3.9010 4.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 32 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 26 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 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 23 60 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 60 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 60 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 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 60 61 1 0 0 0 0 M CHG 1 60 1 M END