IFLAB-ZINC05183355 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 0 0 0 0 0 0999 V2000 -0.3170 1.8660 -0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 0.3790 -0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 -0.2620 -0.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 -1.6120 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -2.2790 -0.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6990 -2.1580 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 -3.6540 0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0170 -4.1890 0.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6500 -4.5900 -1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1240 -4.5740 -2.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9130 -4.9980 -3.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2220 -5.4380 -3.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7710 -5.4610 -1.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9690 -5.0380 -0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4110 -4.9620 0.9050 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7970 -4.3040 1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4080 -3.9960 2.5230 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2990 -4.1170 3.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2750 -3.3830 3.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9020 -5.1470 4.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1190 -5.4580 5.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4110 -6.4570 4.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7880 -4.5360 5.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2430 -5.9720 -4.5310 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.5660 -5.4970 -4.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6580 -5.2660 -5.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0880 -7.5530 -4.5820 N 0 5 0 0 0 0 0 0 0 0 0 0 -7.5110 -7.9020 -3.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 2.4010 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 2.0560 -1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 2.2780 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 -0.0220 -1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 0.2040 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2230 -1.6330 0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2170 -1.9570 -1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 -4.1910 -0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 -3.8230 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1140 -4.2360 -2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5090 -4.9870 -4.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7880 -5.7970 -1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9500 -5.8540 4.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8730 -6.1990 6.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4830 -4.5600 6.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5040 -6.3070 3.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 -7.2040 4.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1720 -6.8860 3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1090 -3.5890 5.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 -5.2120 6.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 -4.3230 4.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 27 -1 M END