NIH-ZINC06577176 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 63 0 0 1 0 0 0 0 0999 V2000 -2.0460 4.9110 -4.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 3.7380 -3.8710 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7950 3.1950 -4.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 4.2680 -3.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 3.1090 -2.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 3.6300 -1.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 3.6860 -0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 4.1650 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0980 4.5870 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2260 4.5300 -1.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 4.0470 -2.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 2.8370 -3.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7630 1.8830 -3.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7390 1.7690 -4.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6160 0.9560 -2.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3440 -0.0250 -3.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1840 -0.9870 -2.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0720 -0.2020 -2.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4850 0.8330 -1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6420 1.7750 -2.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4010 -0.4270 -2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8890 -1.2130 -2.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2570 0.2740 -1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5000 0.7900 -1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0840 1.4010 -0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3500 1.3840 0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8640 0.5850 0.5950 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.1120 0.7080 -2.6190 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.3840 0.2710 -2.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6090 0.3360 -4.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4350 0.8310 -4.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5380 1.0550 -3.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 5.5810 -4.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8680 4.5340 -4.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 5.4540 -3.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 5.0050 -3.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 4.7330 -2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 2.3710 -2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 2.6430 -3.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 3.3570 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 4.2090 1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9120 4.9610 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1400 4.8600 -2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2870 3.9990 -3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 2.9280 -2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9840 0.4020 -2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9960 0.5270 -4.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6140 -0.5920 -4.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7800 -1.6240 -3.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5260 -1.6040 -2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2800 1.3980 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8520 0.3650 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1230 2.4900 -1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2910 2.3100 -2.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0610 1.8580 -0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6600 1.8160 1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0870 -0.0690 -2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5210 0.0600 -4.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2840 1.0040 -5.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5380 1.4400 -3.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 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 40 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 9 10 2 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 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 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 25 26 2 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 28 29 1 0 0 0 0 28 32 1 0 0 0 0 29 30 2 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 31 32 2 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 M END