IBS-ZINC00547991 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 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 3.5270 -1.7810 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 -0.3320 1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7800 -1.1580 1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0080 -1.9680 0.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 -0.9980 2.2690 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8880 -1.7930 2.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0670 -0.8370 2.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7890 0.0030 3.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6480 0.8470 3.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 -0.0180 3.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4850 -0.3270 -1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8910 -1.1720 -2.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5760 -0.3960 -3.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5480 0.8770 -2.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8810 0.9140 -1.6010 O 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 4.7810 0.7260 1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -0.5250 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8270 -2.4960 3.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0260 -2.3390 1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9720 -1.4130 2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2060 -0.2220 1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5330 1.4830 4.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7830 1.4680 2.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5530 0.6110 3.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1860 -0.5400 4.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -2.2380 -2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0350 -0.7550 -4.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9850 1.7260 -3.2700 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 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 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 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 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 M END