IFLAB-ZINC04393628 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7010 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0840 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7730 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0760 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6870 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 0.0730 -2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.7710 -2.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 -3.2200 -3.1650 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2540 -2.5280 -3.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 -3.5490 -2.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1400 -4.7370 -3.8870 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4270 -5.9770 -3.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1340 -4.0950 -4.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 -4.8900 -4.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 -4.5350 -3.7910 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4970 -5.3150 -3.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -4.0750 -4.1240 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -3.1660 -3.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 -2.7540 -2.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5600 -4.4710 -5.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -3.9280 -5.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 -4.3210 -6.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1140 -5.2550 -7.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 -5.7970 -7.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 -5.4120 -6.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -5.6740 -8.5130 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0550 -5.1970 -8.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -6.4960 -9.3050 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1650 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6250 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -3.8530 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 0.2700 -2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -0.5190 -3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 1.0180 -2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 -4.0210 -1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1090 -2.6550 -2.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 -5.9120 -5.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5650 -4.1840 -5.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 -3.1980 -4.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5830 -3.8990 -6.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 -6.5260 -7.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -5.8390 -5.9740 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 36 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 37 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 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END