IFLAB-ZINC05258752 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 36 0 0 1 0 0 0 0 0999 V2000 -0.0940 1.7730 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 0.2450 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -0.2780 1.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -1.6310 1.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 -2.4360 0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -3.8100 0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -4.3850 1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 -3.5790 2.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 -2.2050 2.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3340 -4.1920 3.7270 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7700 -3.4920 4.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 -5.3960 3.7510 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1060 -5.7790 1.7320 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 -6.5340 0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -6.0030 -0.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 -8.0370 0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 -8.6480 -0.6710 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6810 -8.2600 -1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 -10.1470 -0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -10.8340 -0.5990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 2.1480 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 2.1720 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 2.0880 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 -0.1300 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 -0.0700 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 -1.9880 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 -4.4360 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 -1.5780 3.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 -6.2010 2.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9310 -8.3710 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 -8.3550 1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -8.6320 -2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 -10.7190 -0.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 -8.2950 -1.2500 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -8.6440 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 -11.6840 -0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 32 34 1 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 M CHG 1 10 1 M CHG 1 12 -1 M END