IBS-ZINC05210251 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3820 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 1.1990 -0.6920 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 0.0090 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4150 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 2.0970 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6670 2.1280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 3.3440 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8030 1.3980 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 0.0560 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8200 -0.5530 -0.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -0.6430 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 -1.6120 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0360 2.0500 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6630 2.3710 1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8840 3.0160 1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4910 3.3490 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8830 3.0400 -1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6510 2.3810 -1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9980 2.0420 -2.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 1.4740 -2.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5520 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -1.7720 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 3.1760 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1960 2.1150 2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3680 3.2630 2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4460 3.8540 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3610 3.3020 -2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5920 2.3610 -3.7040 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 2.1180 -4.5150 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 30 1 0 0 0 0 30 31 1 0 0 0 0 M END