IFLAB-ZINC04031814 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 31 0 0 0 0 0 0 0 0999 V2000 0.8840 -0.0040 1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -0.0080 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 0.6090 -0.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -0.7580 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 -0.1070 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6860 -0.8040 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7210 -2.1610 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5210 -2.8530 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 -2.2140 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -3.0040 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 -4.3580 -0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 -4.9750 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 -4.2320 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1320 -4.5470 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8340 -3.1830 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -2.3860 -0.2720 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4710 -1.5120 -1.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 -2.7530 0.5150 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7700 0.6030 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 0.4140 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 -1.0250 1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4980 0.9680 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6110 -0.2580 0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -4.9700 -0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 -6.0480 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4550 -5.0240 -1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3450 -5.1920 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3900 -3.1610 0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5000 -2.9920 -0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 4 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 22 1 0 0 0 0 6 7 2 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END