IBS-ZINC04598841 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 -0.0220 1.4330 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 0.0040 -0.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -0.6300 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 0.1120 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5970 -0.5270 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 -1.9240 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 -2.6660 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -2.0180 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -2.8170 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -2.9780 1.2100 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 -4.1480 1.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 -3.8680 3.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 -2.4780 3.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 -1.9440 2.1130 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 -4.8560 4.0750 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6840 -6.0460 3.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -4.4800 5.1680 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.9560 -2.6120 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0540 -1.9210 0.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2930 -2.5750 0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4670 -1.8360 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4190 -0.4510 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5880 0.2810 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8170 -0.3550 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8860 -1.7260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7110 -2.4830 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7770 -3.9490 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7600 -4.6110 -0.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 1.8110 -0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 1.7880 -1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 1.7900 0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 1.1910 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0500 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5070 -3.7450 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 -3.7980 -0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -2.2940 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -5.1320 1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 -1.9400 4.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9970 -3.6910 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3300 -3.5440 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4660 0.0520 0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5450 1.3560 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7260 0.2280 0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8460 -2.2160 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9640 -4.5560 -0.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9570 -5.5200 -0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 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 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END