IBS-ZINC05561854 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -0.4710 1.5560 0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 0.0550 0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -0.7080 1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -2.0860 1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -2.7000 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 -1.9360 -0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 -0.5590 -0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 -4.2010 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -4.7550 0.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 -6.1070 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -6.8830 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 -8.2550 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 -8.8700 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9700 -8.0870 0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 -6.7090 0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1700 -8.6780 0.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -10.3420 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 -11.1680 0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 -12.5500 0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 -13.0340 -0.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0330 -12.2290 -0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 -10.9110 -0.7060 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0390 -12.7820 -1.5450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -10.5840 1.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 -10.7640 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 -10.2180 1.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 -9.4920 3.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -9.3070 3.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 -9.8450 2.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 -9.6600 3.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 -8.8940 4.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 1.9790 0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 1.9440 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 1.8330 1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -0.2280 2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -2.6820 2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 -2.4160 -1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 0.0370 -1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -4.4770 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -4.5880 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 -6.4090 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -8.8550 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7110 -6.1030 0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3250 -8.9040 1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 -13.2170 1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1320 -13.7460 -1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6510 -12.2070 -2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 -11.3310 0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3780 -10.3580 1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 -9.0670 3.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 -8.7400 4.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -7.8940 4.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 -8.8220 4.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -9.3810 5.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 M END