IBS-ZINC02239376 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 62 0 0 0 0 0 0 0 0999 V2000 -0.1220 2.0880 1.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 0.5860 1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 -0.0900 2.4110 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -0.0020 0.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -1.3600 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 -1.9910 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 -3.3680 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -4.1300 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 -3.4950 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 -2.1140 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 -1.4920 0.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4810 -2.3270 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -5.6030 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 -6.1920 0.1750 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -7.5910 0.1570 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7070 -8.2020 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7240 -7.5420 0.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7860 -9.7070 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5220 -10.2200 0.1990 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3240 -11.9710 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1740 -12.5980 0.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3870 -13.9400 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 -15.0470 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0630 -16.3180 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4370 -16.5090 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2920 -15.4270 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7760 -14.1390 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3460 -12.8770 0.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7790 -12.5700 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2670 -12.2920 -1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2250 -11.0050 -1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6720 -10.7490 -2.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1620 -11.7800 -3.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2050 -13.0670 -3.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7620 -13.3230 -1.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8220 -14.9380 -1.3300 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 2.3790 2.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 2.4590 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 2.5140 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 -1.4030 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3310 -3.8570 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 -4.0800 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 -2.9440 -0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 -2.9680 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3760 -1.7050 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 -6.1910 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 -8.1190 0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -10.1100 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 -10.0840 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -14.9050 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 -17.1730 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 -17.5110 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3600 -15.5820 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9470 -11.6940 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3220 -13.4210 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8420 -10.1990 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6390 -9.7440 -3.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5100 -11.5800 -4.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5870 -13.8720 -3.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 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 15 16 1 0 0 0 0 15 47 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 33 34 2 0 0 0 0 33 58 1 0 0 0 0 34 35 1 0 0 0 0 34 59 1 0 0 0 0 35 36 1 0 0 0 0 M END