IBS-ZINC04956132 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 0.0360 1.1980 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 1.7150 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 3.0400 -1.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 0.8470 -2.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 -0.5610 -2.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9300 -1.0930 -3.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 -2.2690 -3.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 -0.0830 -3.9710 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 1.1870 -3.3320 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5920 1.8160 -4.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3800 1.8980 -2.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5230 3.2550 -3.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6610 3.9100 -2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6640 3.2050 -1.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5230 1.8430 -1.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3820 1.1880 -2.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 -0.1480 -2.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3150 -0.8150 -1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7830 3.8490 -1.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8600 5.2520 -1.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -0.2210 -5.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 -1.4840 -5.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3680 -1.6180 -6.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8930 -0.4940 -7.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6230 0.7660 -6.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8330 0.9040 -5.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6710 -0.6280 -8.4490 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 -1.2220 -1.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 0.1080 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 1.5330 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 1.5770 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 3.8060 -3.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7700 4.9710 -2.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3020 1.2930 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0770 -1.8740 -1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4530 -0.3780 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2320 -0.7020 -1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8010 5.6420 -1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0280 5.7580 -1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8100 5.4280 -2.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 -2.3600 -5.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5800 -2.6000 -7.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0330 1.6410 -7.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6260 1.8870 -5.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 3.3270 -2.2450 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 2 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 28 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 20 38 1 0 0 0 0 20 39 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 27 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M END