IBS-ZINC04086954 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 50 0 0 1 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -0.7070 -0.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5240 -1.7810 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4930 -0.3240 -1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1440 0.9670 -1.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1480 1.1500 0.0220 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1010 0.7040 -0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2900 2.6250 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9490 3.3900 1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8870 4.7710 0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1990 5.3570 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 4.6020 -1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5730 3.2130 -0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9490 2.1440 -1.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3480 2.3030 -2.7040 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5820 0.4590 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 -0.3420 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2710 -0.7960 2.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 -1.6600 3.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3980 -1.8680 4.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3580 -1.2550 5.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3070 -0.3960 4.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2580 -0.1670 3.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0320 0.5640 2.5260 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7760 1.1160 2.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2470 -1.0820 -1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8090 -0.2360 -2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4890 2.9380 1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3920 5.4030 1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1850 6.4340 -0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9870 5.0650 -1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5710 -2.1420 2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6830 -2.5300 4.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3670 -1.4550 6.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 0.0770 5.3530 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 21 22 2 0 0 0 0 21 29 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 M END