IFLAB-ZINC04519594 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 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 3.7270 -3.6970 3.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6080 -5.8680 2.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4260 -6.2360 3.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7200 -7.7370 3.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4020 -8.5150 3.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 -8.1460 2.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -6.6450 2.2080 C 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 4.1730 -6.1210 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3650 -5.6820 3.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8610 -5.9820 4.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2850 -7.9910 2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3020 -8.0000 4.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6110 -9.5840 3.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 -8.2610 4.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1490 -8.4000 1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 -8.7000 2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -6.3910 3.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -6.3830 1.3250 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 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 30 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 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 17 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 M END