IBS-ZINC04837597 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 23 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -0.6820 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 0.0310 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4180 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0880 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 3.5680 0.0110 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0800 4.1590 0.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 4.1940 0.0050 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6470 2.1810 -0.0220 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1580 2.5020 -1.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1790 2.4890 1.0290 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6020 -0.6150 -0.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5950 -1.9970 0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 -2.6850 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -2.0440 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 -2.4610 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4560 -2.0870 1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5690 -2.5900 -1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 -3.7390 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 3 4 2 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 10 1 M CHG 1 12 -1 M END