IBS-ZINC02326961 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 1 0 0 0 0 0999 V2000 -0.0580 1.4520 -0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -0.0620 -0.2590 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3000 -0.5520 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 -0.3970 0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -1.8960 1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -2.2630 1.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 -1.9500 0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -0.5440 0.1230 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 0.4780 0.1070 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6640 -0.1480 0.8840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 1.7760 0.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2560 0.5280 -1.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2200 -0.3750 -1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6950 -0.3390 -3.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2040 0.6060 -4.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 1.5120 -3.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 1.4740 -2.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6830 0.6450 -5.4590 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9760 0.3630 -5.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7070 -0.0050 -4.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5070 0.5020 -7.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8310 0.2440 -7.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8500 0.5080 -8.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5900 0.9010 -9.1840 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3100 1.1530 -10.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8320 0.8950 -8.1480 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0140 0.3890 -9.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8980 -0.6810 -9.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9830 -0.7860 -10.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1950 0.1670 -11.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3240 1.2310 -11.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2360 1.3530 -10.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3830 2.4030 -10.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0830 -2.1190 -10.2990 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 1.7830 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 1.7030 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 1.9490 0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 -0.1320 0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 0.1660 1.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -2.4580 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6280 -2.1400 1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 -3.3260 1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -1.6820 2.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -2.5950 -0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 -2.1160 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6000 -1.1100 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4470 -1.0450 -3.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8530 2.2470 -4.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 2.1800 -2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0850 0.8750 -6.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6550 -0.0920 -6.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7350 -1.4260 -8.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0450 0.0780 -12.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4950 1.9700 -12.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6470 2.2380 -11.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 44 1 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 19 20 2 0 0 0 0 19 21 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 51 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 26 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 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 34 1 0 0 0 0 30 31 2 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 33 55 1 0 0 0 0 M END