NIH-ZINC06577662 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 -1.8450 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -2.5720 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 -2.4270 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0390 -3.8150 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3000 -4.3530 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4140 -3.5190 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2520 -2.1360 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9940 -1.5910 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6920 -4.0680 0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7100 -3.0220 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0570 -3.5510 0.2530 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9050 -2.8220 1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5150 -1.7930 1.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3220 -3.2720 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8390 -3.9620 -0.0170 C 0 0 3 0 0 0 0 0 0 0 0 0 -12.7860 -4.4580 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8210 -4.9840 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4880 -4.7370 -0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3420 -5.9940 -0.7670 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.8860 -4.9690 -1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2540 -6.2150 -1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5960 -7.1920 -1.5130 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.0380 -2.9400 -1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1970 -2.6760 -1.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1370 -1.6930 -2.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9290 -1.1590 -2.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7780 -1.9070 -1.7690 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 -4.4630 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4290 -5.4260 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1190 -1.4910 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8690 -0.5190 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4860 -2.3250 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6760 -2.4830 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3520 -3.9710 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9470 -2.4070 1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0490 -4.3840 -2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0090 -5.6040 -1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1130 -3.1900 -1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0030 -1.3820 -3.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6940 -0.3830 -3.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 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 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 26 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 3 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 29 2 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 M END