IBS-ZINC04045412 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 -0.0500 1.5620 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 0.0530 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 -0.6080 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5060 0.0760 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6110 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 -2.0020 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 -2.6950 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 -1.9940 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -2.7700 -0.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 -2.1880 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 -2.8930 -0.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 -0.7010 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 -0.1490 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1690 0.1200 -1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5710 0.7340 -1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0430 0.9930 -0.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -2.7910 -0.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1430 -2.1350 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2810 -3.1350 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1190 -4.4670 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6550 -2.5250 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 1.9710 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 1.9960 -0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 1.9280 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 1.1600 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6430 -0.0220 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 -3.7790 -0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2130 -0.8440 0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5860 0.7620 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 0.8060 -1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2270 -0.8150 -1.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2430 -1.4620 -0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2220 -1.5640 0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9690 -5.1420 -0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1340 -4.9210 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8030 -1.8510 -0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7820 -1.9520 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4450 -3.2820 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0870 0.9170 -2.5160 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 12 2 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 9 10 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 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 M CHG 1 39 -1 M END