IFLAB-ZINC03866531 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 0.3160 1.4100 -0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 0.0770 -0.1170 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -0.4500 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -0.4610 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 0.5540 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 1.7430 -0.3560 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 0.5530 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 -0.4360 -0.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2590 1.8410 -0.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6760 2.1560 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 3.4310 0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4230 3.8270 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9140 3.9640 -0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6440 2.6990 -1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1720 2.2980 -1.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 -1.8420 0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6090 -2.1760 1.0560 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5190 2.0810 -0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5580 2.5770 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2110 1.3210 0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3380 4.2560 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6490 3.2850 1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5710 4.7740 1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0240 3.0710 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4130 4.8150 -1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9880 4.1820 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9450 2.8560 -2.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2590 1.8780 -1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0310 1.3550 -2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5710 3.0510 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6100 -2.6050 0.0880 O 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 18 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 2 0 0 0 0 M CHG 1 17 -1 M END