IFLAB-ZINC04519603 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3800 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -0.5500 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 0.7210 -0.0170 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 1.9580 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -2.0290 -0.0220 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5700 -2.5820 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3260 -2.3970 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 -3.8340 1.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 -4.3890 2.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7280 -3.6950 3.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -5.8270 2.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3080 -6.5030 3.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4210 -7.8490 2.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8280 -8.2620 1.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -6.9610 0.9620 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -2.4510 -1.5150 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6430 -1.6830 -1.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 -3.8580 -1.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 -1.8440 -2.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6430 -0.5530 -3.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 -0.0760 -4.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -0.8910 -4.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -2.1830 -4.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -2.6600 -3.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 -0.2930 -6.2340 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 1.9480 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -0.5970 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 3.0240 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2650 -1.8430 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 -2.1430 2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 -4.3880 0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7360 -6.0280 4.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9510 -8.5220 3.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8220 -9.2840 1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 0.0830 -2.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 0.9320 -4.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -2.8200 -4.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -3.6700 -3.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 M END