NIH-ZINC02938865 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 60 0 0 1 0 0 0 0 0999 V2000 0.1690 0.5840 2.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -0.8710 1.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -1.8120 2.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 -3.1470 2.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -3.5400 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 -2.5980 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -1.2630 0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -5.2410 0.6890 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 -5.4090 -0.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -5.9820 1.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7520 -5.5180 0.1820 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 -4.8630 -1.0280 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4190 -4.6150 -1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2120 -5.8070 -1.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 -7.0060 -2.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -7.0960 -2.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0900 -7.9780 -2.9380 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 -9.1430 -3.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2910 -10.0730 -4.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5800 -10.0380 -5.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5010 -11.0820 -5.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7200 -11.6930 -4.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9790 -11.0820 -3.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9870 -3.6010 -0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6200 -3.5110 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2920 -2.3560 0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3340 -1.2840 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7020 -1.3680 -1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0200 -2.5290 -1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 -2.6140 -2.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 -2.9720 -3.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7420 -0.3150 -2.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 0.8460 -1.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 0.8060 2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 1.2030 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 0.7950 3.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 -1.5060 3.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -3.8830 3.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -2.9050 -0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -0.5270 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 -6.1140 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9930 -6.1340 -1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6630 -5.2850 -2.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0430 -7.9050 -3.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5670 -8.8160 -4.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 -9.6650 -2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1850 -9.3450 -6.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9450 -11.3400 -6.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3760 -12.5350 -4.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5900 -4.3460 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7860 -2.2890 1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8610 -0.3830 0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5820 -3.9820 -3.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0280 -2.2740 -3.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 -2.9340 -4.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4100 1.6090 -2.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4960 0.5840 -1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 1.2320 -0.6910 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 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 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 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 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 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 32 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 33 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 M END