IFLAB-ZINC00081766 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 0 0 0 0 0 0999 V2000 -0.1860 1.4880 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 0.0040 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -0.7440 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -2.1270 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -2.7740 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 -2.0280 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 -0.6520 -1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 0.0500 -2.3090 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -3.0480 2.6790 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 -4.3660 2.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -2.1940 3.7050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 -3.1550 2.9400 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 -4.1640 2.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6320 -4.3980 3.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5800 -3.7870 4.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 2.0000 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 1.8150 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7910 1.7940 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -0.2550 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -3.8460 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -2.5070 -2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 -2.9320 3.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7100 -3.7840 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 -5.1130 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5210 -5.1560 2.6870 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 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 19 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 15 2 0 0 0 0 14 25 1 0 0 0 0 M CHG 1 25 -1 M END