IBS-ZINC06645428 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 49 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3060 0.0090 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 -1.2930 -0.7750 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -1.7260 -1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 -3.0090 -1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 -3.8880 -2.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 -3.4890 -3.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 -2.2050 -3.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 -1.3150 -2.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4490 -0.0600 -2.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 1.2030 -2.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3490 2.1250 -3.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6410 1.8560 -4.4580 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 0.6690 -4.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 -0.2970 -4.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4240 -1.5570 -4.5710 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6700 -1.9440 -5.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 -3.0690 -6.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2900 -1.0070 -6.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6620 0.2920 -6.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2550 1.1700 -7.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5020 0.7610 -8.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1610 -0.5180 -8.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5450 -1.3960 -8.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 -3.4120 0.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 -4.7500 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -5.0140 1.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -4.1460 2.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 1.8580 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.8330 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 -0.5310 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -1.3390 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 -0.0810 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 -4.8880 -1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -4.1800 -4.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5290 1.4580 -1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5850 3.1050 -2.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5220 2.1680 -6.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9640 1.4430 -9.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3600 -0.8240 -9.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2860 -2.3910 -8.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -5.4490 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -4.8800 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -6.2140 1.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 -6.3370 2.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 16 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 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 16 17 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 24 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 44 1 0 0 0 0 44 45 1 0 0 0 0 M END