IFLAB-ZINC04158490 MOE2007 3D CORINA 3.40 0006 02.08.2006 24 24 0 0 0 0 0 0 0 0999 V2000 -0.0030 1.3560 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -0.0190 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 -0.6840 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0390 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 1.4140 -0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 2.0850 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 3.5580 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1190 4.1900 -0.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6780 -0.6720 -0.4790 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7240 -0.2060 -0.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 -1.7220 -1.0950 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2900 -2.0730 0.0910 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -2.7480 0.2460 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -4.0620 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 -4.7430 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -5.2830 0.0730 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 -4.8110 0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -5.4060 0.5990 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 1.8720 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 -0.5820 0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 1.9740 -0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1390 -2.5340 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 4.2030 0.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 5.1690 0.0740 H 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 2 0 0 0 0 7 23 1 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 23 24 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END