IBS-ZINC04085323 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -2.1630 -2.0980 -1.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 -0.6300 -1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 -0.5220 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -0.2490 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 -0.1520 1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 0.0920 1.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 -0.3230 2.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 -0.5960 2.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 -0.7010 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5480 -0.9770 1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2230 -1.1390 2.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 -1.0310 3.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 -0.7680 3.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2390 -1.1950 4.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5250 -0.9540 6.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8140 -0.1420 5.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7710 -2.2220 6.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4960 -0.5760 7.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6900 -0.6060 6.8720 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0400 -0.2040 8.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9840 0.1630 9.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2110 0.5420 10.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1830 0.9200 11.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5930 2.1600 12.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4770 2.1140 13.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9090 2.8850 13.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6620 0.8090 13.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8640 0.0030 12.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8550 -1.3820 12.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6250 -1.9500 13.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4160 -1.1600 14.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4350 0.2100 14.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6590 -2.1770 -2.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -2.4890 -1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7180 -2.6750 -1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 -0.0540 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 -0.2400 -1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -0.1070 -0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0720 -1.0620 0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2810 -1.3520 2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 -0.6860 4.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4810 -3.0340 6.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 -2.4950 5.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 -2.0380 7.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0850 -0.1810 8.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5830 1.0130 9.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6380 -0.6820 9.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 -0.3080 10.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5570 1.3870 10.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2720 3.0620 11.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2420 -2.0030 12.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6180 -3.0220 13.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0200 -1.6230 15.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0550 0.8160 15.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 2 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 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 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 M END