IBS-ZINC02273420 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 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 0.7420 -0.5150 1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 -0.2280 1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7810 0.0860 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1430 0.3360 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4060 -0.0090 2.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0340 -0.2770 2.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4870 -0.5950 3.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 -0.8470 4.5440 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2400 -0.0510 3.1950 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6700 0.2280 3.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3480 0.1180 4.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8650 -1.0950 4.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 -1.1960 6.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5930 -0.0850 6.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0770 1.1280 6.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4580 1.2310 5.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 0.6740 -1.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7340 2.1670 -1.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 2.9480 -1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7580 4.3170 -1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6730 4.9050 -2.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 4.1240 -2.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6510 2.7540 -2.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 0.1670 -1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -0.4690 -1.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -0.5370 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 -0.0140 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -1.5900 1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8770 -0.2650 4.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1100 -0.4920 2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8040 1.2360 2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7820 -1.9640 4.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8910 -2.1440 6.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0790 -0.1640 7.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1590 1.9970 7.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0590 2.1790 4.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8010 0.3290 -1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2100 0.1850 -2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6370 2.4890 -0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5820 4.9280 -1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6490 5.9750 -2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7700 4.5840 -3.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8290 2.1440 -2.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 1.2130 -1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4820 -0.3280 -2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 -0.1780 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -1.6270 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 -0.1870 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9020 0.2830 0.9000 N 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 27 1 0 0 0 0 2 28 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 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 19 1 0 0 0 0 6 54 2 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 7 54 1 0 0 0 0 8 9 1 0 0 0 0 9 10 3 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 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 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 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 17 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 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 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 M END