NIH-ZINC06529245 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 63 0 0 0 0 0 0 0 0999 V2000 -0.2330 1.5530 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 0.1490 0.3090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -0.7100 1.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 -2.0320 1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -2.6240 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 -3.7960 0.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 -1.7150 -0.7830 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 -0.3440 -0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 0.3790 -1.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3690 -2.2060 -1.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -2.5570 2.4520 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -1.4910 3.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 -0.3700 2.4580 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 -1.5670 4.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 -1.9470 5.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8360 -2.0860 5.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 -0.4780 3.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3130 -0.3630 3.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9750 -0.8810 5.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4460 0.5400 5.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4660 1.0990 6.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8500 1.9310 6.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -3.9660 2.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 -4.5360 2.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 -5.0810 4.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9940 -5.6150 4.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9300 -5.6270 3.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 -5.1250 2.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 -4.5970 1.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9740 -4.0450 0.3560 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 1.6320 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 2.1130 -0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 1.9930 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3130 -1.6580 -2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -2.0070 -2.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 -3.2770 -1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 -0.6780 5.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 -2.4410 5.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 -2.8820 6.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 -1.1320 6.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -2.2160 6.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1200 -2.9290 5.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1330 -1.2640 3.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 0.4750 3.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0130 0.4740 4.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9060 -0.2300 2.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3220 -1.2660 4.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2900 -1.5540 5.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4300 0.5380 5.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4760 1.1580 4.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -4.0220 3.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 -4.5650 2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 -5.1130 5.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2410 -6.0500 5.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9120 -6.0660 3.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3160 -5.1760 1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7040 -1.6320 4.4120 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9180 -2.4130 3.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4470 -0.8420 5.0660 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3140 -0.0370 5.7310 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 8 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 57 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 57 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 59 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 59 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 57 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 59 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 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 53 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 27 28 2 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 57 58 1 0 0 0 0 59 60 1 0 0 0 0 M CHG 1 57 1 M CHG 1 59 1 M END