IFLAB-ZINC04158490 MOE2007 3D CORINA 3.40 0006 02.08.2006 23 23 0 0 0 0 0 0 0 0999 V2000 -0.0090 1.2970 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -0.0870 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -0.7410 -0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 0.0590 -0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 1.4520 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 2.0820 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 3.5720 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 4.2140 0.1310 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7190 -0.5460 -0.7270 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6950 0.2030 -0.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7710 -1.7840 -0.8310 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3020 -2.1480 -0.3430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -2.8650 -0.1470 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -4.0530 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 -4.6130 0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5370 -5.0750 1.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -4.7150 0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 -5.2670 0.6490 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 1.7680 0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 -0.6560 0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2490 2.0700 -0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2230 -2.5550 -0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 4.0640 0.5380 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 19 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 23 2 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 3 0 0 0 0 17 18 3 0 0 0 0 M CHG 1 8 -1 M CHG 1 9 1 M CHG 1 11 -1 M END