IBS-ZINC04086306 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -1.1860 1.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -0.1910 2.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 -0.6760 3.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -0.1900 4.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 0.9080 5.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 1.3540 6.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 0.7040 7.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 -0.3940 6.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -0.8400 5.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 -1.9160 4.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 -2.5370 5.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.6080 -2.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -0.3360 -2.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.0940 -3.5980 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4050 -1.8930 -3.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 0.0620 -4.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 -0.3460 -5.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9870 0.4100 -6.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 0.0720 -7.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 -1.0260 -8.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9670 -1.7810 -7.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 -1.4440 -6.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -2.3030 -5.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 0.3560 2.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 -1.7660 3.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 -0.2990 3.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.4170 5.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 2.2110 7.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 1.0540 8.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 -0.9010 6.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7940 -3.3800 4.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 -2.8900 6.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3320 -1.8130 5.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -0.6950 -1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 0.9220 -4.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 0.3320 -3.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 1.2690 -5.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2560 0.6650 -7.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3430 -1.2930 -9.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 -2.6390 -8.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 -2.5540 -6.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 -3.2200 -5.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -1.5970 -4.5650 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 -2.1900 -4.1120 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 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 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 38 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 51 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 51 52 1 0 0 0 0 M END