IFLAB-ZINC04271613 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 34 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -0.6730 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 -0.0690 -0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 -2.0810 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -2.7570 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -2.0220 -0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 -0.7110 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6930 0.1620 0.0490 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8490 -1.2310 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2630 -0.7100 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9420 -0.4560 -1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2400 0.0220 -1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8120 0.2290 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1360 -0.0240 1.3220 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9010 -0.4850 1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -4.2620 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 -4.7170 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 -3.2680 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7010 -1.8300 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6710 -1.8470 0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4690 -0.6270 -2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7990 0.2310 -1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8230 0.6020 0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3810 -0.6840 2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 -4.6890 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -4.6110 -1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 -4.8730 1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 -5.6140 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 M END