IFLAB-ZINC03072396 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 1 0 0 0 0 0999 V2000 1.0450 1.4790 0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -0.0060 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -0.6650 0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -2.0520 0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -2.7950 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -2.1430 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 -0.7570 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -4.2450 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 -4.8670 -1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 -6.3400 -1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 -7.0620 -0.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 -6.7380 -2.6470 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 -5.7240 -3.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -5.8080 -5.1370 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 -4.1590 -2.7860 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 -8.1980 -2.9290 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1430 -8.7230 -1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 -8.7190 -3.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 -8.3850 -3.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 -8.9490 -4.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9770 -9.5970 -5.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 -8.6250 -3.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6860 -8.0020 -2.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 1.7100 1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 1.9020 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 1.9700 0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 -0.1030 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 -2.5440 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 -2.7110 -0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 -0.2680 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 -4.8200 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -9.8090 -3.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -8.3290 -4.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -7.2970 -3.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 -8.7570 -2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4670 -8.6820 -3.8700 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.9440 -9.5550 -4.0850 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 M CHG 1 36 -1 M CHG 1 37 -1 M END