NIH-ZINC01067521 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -2.5340 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 0.0100 -1.2670 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 0.4210 -2.7010 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1090 0.9020 -2.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 -0.6650 -3.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 1.7930 -3.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 3.0820 -3.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6080 4.1610 -3.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 3.9540 -4.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 2.6610 -4.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 1.5800 -4.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 2.4530 -5.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 1.0960 -5.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 5.3090 -5.0250 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -2.4020 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -2.4180 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -2.1570 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 -3.6240 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -2.3790 -2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.4050 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5810 0.1040 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1460 3.2460 -2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 5.1670 -3.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 0.5730 -4.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 0.6080 -6.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4960 0.5740 -4.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 1.0730 -6.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 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 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 M END