NIH-ZINC06577724 MOE2007 3D CORINA 3.40 0006 02.08.2006 66 70 0 0 0 0 0 0 0 0999 V2000 1.3270 1.1750 -0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 -0.2110 -0.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -0.6000 0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 0.3500 1.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2790 -0.0080 2.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 -1.3180 2.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 -2.2800 1.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 -1.9480 0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -2.9050 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 -2.4960 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -1.1160 -1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -0.7940 -2.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -3.6280 -2.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 -4.7210 -1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -4.2850 -0.1960 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -5.1770 0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 -6.0680 -1.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -6.6070 -2.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 -6.6890 -1.8330 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -8.0480 -2.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 -9.0600 -1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 -10.4840 -1.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -12.8230 -1.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -13.7860 -0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -13.8630 0.5370 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 -12.5900 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -11.6370 0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -15.0800 1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -15.2550 2.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 -16.4860 2.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -17.5810 2.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 -17.4340 1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -16.2040 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1440 -18.7780 1.1260 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 1.4610 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 1.3270 -1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 1.8190 -0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 1.3900 1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 0.7420 3.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 -1.5930 3.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 -3.2780 1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -3.6400 -2.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -5.2680 0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -6.1560 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -4.7800 1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 -6.1710 -1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0100 -8.1950 -2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 -8.1590 -3.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -8.8580 -1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -8.9260 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 -10.7900 -1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -10.5770 -2.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -12.6530 -2.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -13.2070 -1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -14.7580 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3040 -13.4420 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -12.7060 2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6190 -12.1350 1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 -12.0240 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -10.6550 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -14.4360 2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5080 -16.5850 3.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -18.5350 2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 -16.1230 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 -11.4630 -0.9730 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2360 -11.0960 -0.8960 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 11 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 7 2 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 65 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 23 65 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 27 65 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 30 62 1 0 0 0 0 31 32 2 0 0 0 0 31 63 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 33 64 1 0 0 0 0 65 66 1 0 0 0 0 M CHG 1 65 1 M END