NIH-ZINC04103559 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 71 0 0 1 0 0 0 0 0999 V2000 2.4800 4.1290 -5.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 3.1750 -4.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 1.7000 -4.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 1.0730 -6.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7490 1.7410 -4.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 0.9010 -3.8700 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 -0.4290 -3.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -0.6350 -2.6500 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 0.5580 -2.4920 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 1.4950 -3.2190 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 -1.5130 -3.9230 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2340 -1.0870 -4.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1560 -2.1750 -2.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 -3.3770 -3.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -1.1480 -1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 -3.4670 -4.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -3.3670 -4.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 -4.3510 -4.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8830 -4.2350 -4.6690 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2770 -3.3950 -4.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5810 -3.2050 -5.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 -3.5380 -7.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -2.6830 -8.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 -3.0790 -9.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -2.1910 -10.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 -2.5980 -11.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -3.9120 -11.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -4.8040 -10.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 -4.3830 -9.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -5.2690 -8.4970 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -6.2150 -8.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 -4.9280 -7.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4480 -5.7210 -6.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -1.6590 -12.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5260 4.2650 -5.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 3.7910 -6.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 5.1150 -5.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 3.6270 -3.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 3.1580 -5.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8410 1.6130 -6.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 0.0380 -6.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 1.0750 -6.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8130 2.1900 -3.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1990 0.7490 -4.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 2.3190 -4.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 -2.5150 -1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7460 -3.1430 -3.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6290 -3.6860 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4450 -4.2450 -3.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4410 -0.2840 -1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4660 -1.5970 -1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8460 -0.7900 -2.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -3.1860 -3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 -4.4780 -4.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 -2.3490 -4.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 -3.5540 -5.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -5.3800 -4.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7010 -4.1640 -2.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0380 -4.0860 -5.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 -2.5120 -6.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 -1.6770 -8.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 -1.1780 -10.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 -4.2490 -12.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -5.8160 -10.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -1.7570 -13.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 -1.8740 -13.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 -0.6210 -12.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 -2.5180 -4.8370 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0960 -1.9080 -5.3970 H 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 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 6 10 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 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 68 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 16 68 1 0 0 0 0 17 18 1 0 0 0 0 17 55 1 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 18 58 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 21 68 1 0 0 0 0 22 23 2 0 0 0 0 22 32 1 0 0 0 0 23 24 1 0 0 0 0 23 61 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 62 1 0 0 0 0 26 27 1 0 0 0 0 26 34 1 0 0 0 0 27 28 2 0 0 0 0 27 63 1 0 0 0 0 28 29 1 0 0 0 0 28 64 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 68 69 1 0 0 0 0 M CHG 1 68 1 M END