IBS-ZINC04086669 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 55 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6190 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 0.1530 2.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 -0.4170 3.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 -1.7910 3.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 -2.5960 2.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -2.0160 1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -2.7740 0.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 -3.1230 -1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 -4.0000 2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -4.9500 1.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 -4.0810 3.7380 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5510 -2.7280 4.1440 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6380 -2.6480 4.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 -2.5340 5.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -3.5470 6.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -2.9690 7.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 -3.5240 8.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 -2.6660 9.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -1.3130 9.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 -0.7390 8.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 -1.5860 7.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9970 -1.3600 6.2540 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 -0.4970 5.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 -4.9860 5.8800 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3710 -5.2030 5.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -5.2490 4.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 -5.8830 6.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 -6.8020 7.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 -7.5090 8.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1090 -7.1630 8.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5360 -5.8840 7.6500 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 1.2290 1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 0.1940 3.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -3.7280 -1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -2.2150 -1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 -3.6920 -0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 -4.5770 8.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -3.0570 10.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 -0.6860 10.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 0.3170 8.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 -6.1390 4.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2970 -5.3840 4.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -6.9820 7.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -8.2810 9.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7790 -7.6050 9.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 31 32 2 0 0 0 0 31 49 1 0 0 0 0 32 33 1 0 0 0 0 32 50 1 0 0 0 0 M END