IFLAB-ZINC04568930 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -0.1160 1.5280 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 0.0210 0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -0.6930 1.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 -2.0750 1.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -2.7420 0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -2.0280 -0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -0.6460 -0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -4.2490 0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -4.7610 0.4210 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5950 -6.0900 0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 -6.8620 0.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9870 -6.6120 0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9200 -5.8390 0.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2070 -7.9400 0.1760 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5720 -8.4520 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5330 -9.9740 -0.1200 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9090 -10.2470 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9720 -10.6140 1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8380 -11.8920 1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2140 -11.4010 0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8950 -10.4930 -0.3120 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9010 -10.1200 -1.5720 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.2270 -10.2190 -1.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3810 -8.9380 -2.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7280 -11.3970 -2.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5440 -12.5120 -2.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4090 -13.5140 -3.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4560 -13.4010 -4.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6410 -12.2870 -4.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7800 -11.2830 -3.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 1.9080 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.9000 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 1.8650 1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -0.1720 2.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -2.6330 2.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -2.5500 -1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -0.0880 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -4.5860 -0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -4.6210 1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 -4.1430 0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4620 -8.5580 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1550 -8.1890 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0330 -8.0120 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -10.8740 1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1070 -9.9480 2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4550 -12.7030 0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8990 -12.1950 2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8090 -12.2430 0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7440 -10.8630 1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2880 -12.5990 -1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0460 -14.3850 -3.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3500 -14.1850 -5.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8970 -12.1990 -5.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1450 -10.4100 -3.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 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 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 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 14 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 M END