NIH-ZINC06530400 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 1 0 0 0 0 0999 V2000 2.7840 1.0310 5.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8030 -0.1450 4.8930 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6130 -0.8200 5.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4570 -0.8820 4.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 -1.3950 2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 -0.6120 2.5460 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1860 -0.0540 1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 0.3770 3.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3370 -1.5070 2.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -2.8680 3.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -4.2650 3.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 -4.6120 3.6800 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9990 -5.9400 3.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -6.4210 3.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -5.3450 3.3280 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 -5.3390 3.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0370 -4.6920 1.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 -5.1800 0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -4.5730 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 -3.4830 -0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 -2.9990 0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9230 -3.6050 2.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5460 -2.7330 -1.8280 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 -7.7820 2.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 -8.2100 2.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 -8.5600 2.7720 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9780 -8.0940 3.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9490 -8.8520 2.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 -6.7370 3.3230 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4350 -6.1730 3.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 -9.9740 2.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5890 0.7010 6.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 1.5570 5.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 1.7620 5.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 -1.3550 5.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 -0.2190 4.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 -0.7310 2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -2.2230 1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4100 -2.1640 1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2450 -0.8960 2.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3310 -2.1380 3.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 -2.4920 3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 -2.8060 4.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9300 -6.3590 3.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 -4.7990 4.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -6.0440 0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 -4.9620 -1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0700 -2.1570 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2690 -3.2210 2.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 -5.7690 4.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2260 -6.9210 3.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6240 -5.3690 2.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 -10.1780 1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 -10.5630 3.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -10.2830 2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4770 -1.9680 3.8730 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2420 -2.6320 4.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 56 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 56 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 10 56 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 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 56 57 1 0 0 0 0 M CHG 1 56 1 M END