IBS-ZINC04843962 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 1 0 0 0 0 0999 V2000 -0.0150 1.3810 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0010 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -0.6780 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 0.0260 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 1.4080 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 2.0850 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 2.1760 -0.0230 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3820 1.6880 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2560 2.2120 1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6100 2.8720 1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0660 3.2750 0.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3150 3.0150 2.5030 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4350 3.5110 -0.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6840 -0.6990 -0.0910 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7010 -1.9150 -0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7280 -0.0790 -0.1900 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9560 1.9100 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5520 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -1.7580 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 3.1650 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 2.7770 2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 1.1940 1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 2.6930 3.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1870 3.4400 2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 4.0060 0.0780 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 17 1 0 0 0 0 2 3 2 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END