IBS-ZINC02246672 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 59 0 0 0 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 -1.2020 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 0.0980 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 -0.5540 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 -1.9570 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 -2.6880 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -2.0330 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -2.7520 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -4.1760 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9850 -2.3420 0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2980 -3.2600 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8020 -1.2260 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9940 -0.0820 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5680 1.1210 0.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8790 1.2370 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6780 0.1860 0.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1920 -1.0510 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0430 -2.1450 0.0680 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.4490 -1.7190 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3540 -2.9510 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6570 -4.2680 1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7530 -3.0360 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9650 -5.0010 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8090 -5.7560 2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5970 -5.4330 3.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4530 -6.1260 4.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5220 -7.1420 4.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7340 -7.4660 3.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8810 -6.7760 2.5320 C 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 -2.3270 1.1780 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 -3.7670 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -4.4850 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -4.6260 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 -4.5020 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3160 2.2250 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6540 -1.1750 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6420 -1.0710 -0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3970 -2.6390 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1680 -3.4790 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4530 -4.8110 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4640 -4.9160 1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7090 -3.3480 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9380 -2.5070 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7170 -5.6560 0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9960 -4.6600 1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3250 -4.6390 3.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0680 -5.8730 5.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4090 -7.6830 5.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0060 -8.2600 3.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2680 -7.0320 1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0640 -3.8410 1.1380 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 34 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 55 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 48 1 0 0 0 0 24 49 1 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 M END