NIH-ZINC06498871 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 65 0 0 1 0 0 0 0 0999 V2000 -0.4200 0.3830 1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 0.7670 3.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 2.7000 1.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9320 3.5740 2.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7210 4.9990 2.3040 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5600 5.8110 1.4270 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6010 5.6160 1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 7.2910 1.6950 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9060 7.1420 2.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 5.7180 2.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 5.3200 3.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 8.0340 2.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2330 8.0040 2.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9230 7.3970 3.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4430 9.4660 2.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 10.0140 2.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8960 11.3820 2.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9490 12.2230 2.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 11.6800 1.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 10.3070 1.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3220 13.5370 1.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 14.4480 1.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0370 15.8180 1.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8360 16.6730 2.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4370 17.9320 2.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2510 18.3440 1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4690 17.4950 0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8690 16.2350 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 5.4140 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 4.9220 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2760 4.5440 -2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 4.6180 -2.7140 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 5.1060 -2.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 5.5090 -0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -0.6660 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 0.5580 1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 0.6830 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 0.9980 3.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -0.3100 3.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 1.2840 4.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 2.8670 0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 2.9160 2.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9570 3.3170 2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 3.4150 3.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 7.8190 0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4040 9.3850 3.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8360 11.7950 3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 12.2950 1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 9.9360 1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4610 14.4720 1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2030 14.1590 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2130 16.3590 3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2740 18.5910 3.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7210 19.3230 1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1110 17.8130 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0580 15.5780 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4550 4.8330 -0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0980 4.1610 -2.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 5.1650 -2.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 5.8830 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 1.2170 2.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1580 1.0300 1.8680 H 0 0 0 0 0 0 0 0 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 1 61 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 2 40 1 0 0 0 0 2 61 1 0 0 0 0 3 4 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 3 61 1 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 29 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 28 56 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 57 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 61 1 M END