IFLAB-ZINC02458716 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 26 0 0 0 0 0 0 0 0999 V2000 -0.0220 1.4750 -0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 0.0690 -0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 -0.5530 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 0.5670 -0.4790 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 1.8770 -0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 -2.2660 -0.0410 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8050 -2.2710 0.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -2.8760 0.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -3.0120 -1.5560 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8430 -2.4640 -2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1810 -2.5650 -2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1080 -1.9890 -2.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7870 -1.3370 -4.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4680 -1.2360 -4.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 -1.7970 -3.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0460 -0.5020 -5.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 -0.4310 -5.8840 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8640 2.1550 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 -0.4650 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 2.8780 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -3.2070 -2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4980 -3.0790 -1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1700 -2.0350 -2.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 -1.6990 -3.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 -0.0150 -6.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 18 1 0 0 0 0 2 3 2 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 20 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 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 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 25 2 0 0 0 0 M CHG 1 17 -1 M END