IFLAB-ZINC05299487 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 35 0 0 0 0 0 0 0 0999 V2000 -0.0340 1.5010 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.0050 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -0.7350 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -2.1170 1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -2.7780 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -2.0470 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 -0.6520 -1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 -2.7480 -2.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 -3.9600 -2.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -2.0420 -3.6020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 -2.6990 -4.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 -1.9680 -5.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -0.5390 -6.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 -0.1880 -7.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -1.5880 -8.5200 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -2.6930 -7.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4510 -4.0280 -7.0970 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 -4.6590 -5.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 -4.0200 -4.8300 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -4.2830 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 1.8910 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 1.8800 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 1.8200 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -0.2230 2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 -2.6810 2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 -0.0820 -2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 -1.0740 -3.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 0.1810 -5.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 0.8320 -7.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -5.7370 -5.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -4.6710 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -4.6080 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -4.6600 0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 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 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 19 2 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 M END