IBS-ZINC05452127 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3840 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 1.1860 -0.6850 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 0.0190 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 1.4240 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 2.0980 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6970 1.8220 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0220 2.7360 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 0.6950 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -0.3600 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9660 0.6730 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4740 -0.1680 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9810 -0.1910 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5880 0.4060 0.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6540 -0.8760 2.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1240 -0.9110 2.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6160 -0.5250 3.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5190 -1.1870 4.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9360 -1.6020 3.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5410 -1.1670 5.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0300 -2.2450 6.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5200 -3.5220 6.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5510 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 -1.7650 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 3.1780 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3140 0.2380 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3460 1.6900 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1260 0.2660 2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0950 -1.1860 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4670 -1.9170 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5100 -0.2020 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6970 -0.6520 3.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3620 0.5160 3.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2980 -0.1360 4.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0760 -1.7960 5.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8770 -1.3500 3.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0650 -2.6760 2.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2420 -0.1850 6.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6290 -1.2180 5.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3820 -2.0310 7.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9400 -2.2530 6.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2340 -4.2540 6.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9700 -1.3880 4.4570 N 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 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 44 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 M END