IFLAB-ZINC04393539 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3770 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 1.2150 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 0.0350 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 1.4150 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 2.1780 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7140 1.5880 -0.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6260 3.3960 -0.0140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2370 -2.0800 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -2.9730 -0.0140 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0960 -3.3200 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -2.6480 -0.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -4.3420 -0.9230 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6840 -4.6740 0.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 -4.4610 -2.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -5.2480 -0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -4.1360 -0.8700 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7710 -3.7510 -1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 -4.1860 -0.3540 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3380 -2.8900 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4650 -2.5020 0.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 -5.3140 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1290 -5.1840 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 -6.2980 0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 -7.5450 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 -7.6770 -0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 -6.5660 -0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2490 -8.6340 0.2230 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -0.4880 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 -2.0260 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 -2.1780 -1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -5.8480 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 -5.8710 -1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4960 -4.2110 0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9280 -6.1970 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 -8.6500 -0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -6.6700 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 40 1 0 0 0 0 28 41 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END