IBS-ZINC04898530 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 47 0 0 0 0 0 0 0 0999 V2000 -0.0900 1.4720 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 0.0630 -0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -1.5320 -2.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 -1.7800 -3.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9790 -1.6360 -2.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1430 -1.9290 -3.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3870 -1.7980 -2.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6300 -0.4130 -1.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8320 -0.2370 -1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0860 1.2520 -1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1390 1.7740 -0.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3640 3.1660 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3690 3.6070 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 3.3770 1.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 3.0520 1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 1.6300 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 2.2040 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -0.0260 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -0.7030 0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 -2.2900 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -1.4940 -2.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7870 -1.0500 -3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7210 -2.7910 -3.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1900 -1.2280 -3.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 -2.9550 -3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2480 -2.2150 -2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2470 -2.3270 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6700 -0.6770 -1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7210 -0.7400 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9790 1.7890 -1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0970 1.3990 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2090 3.7280 -0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3870 3.3290 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3810 4.6890 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5540 3.0800 2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1860 2.7040 2.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9720 4.4160 2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 3.7890 0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 3.1690 2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 -0.2120 -1.4930 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7830 -0.2040 -1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 0.5480 -2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9920 3.2150 0.7790 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.0370 2.2240 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 3.7320 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 1.6910 0.6550 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 1.0160 1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 46 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 26 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 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 43 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 46 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 46 47 1 0 0 0 0 M CHG 1 40 1 M CHG 1 43 1 M END