IBS-ZINC06661358 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 56 0 0 0 0 0 0 0 0999 V2000 0.9040 1.2920 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -0.1980 -0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -0.9150 0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 -2.2190 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 -2.4740 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -3.9930 1.5240 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -4.3350 2.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 -3.3010 1.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 -3.3860 2.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4040 -4.3960 2.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6570 -2.2460 2.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0180 -2.2990 2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -5.5350 2.7260 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -6.5680 2.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 -6.6940 2.7370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 -7.7320 3.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9440 -7.7120 3.9040 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -8.7270 4.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 -9.9190 4.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -10.9750 3.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 -12.2550 4.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0410 -13.0680 3.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5350 -14.6980 4.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 -1.5640 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 -0.2500 0.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -0.7760 -1.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 1.4440 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 1.8310 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 1.7630 0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 -1.0610 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 -0.2890 1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0720 -2.4610 3.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5590 -3.0840 1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4840 -1.3370 2.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 -5.6590 3.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 -8.5790 3.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -9.6490 5.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 -10.2950 5.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -11.1890 3.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 -10.5700 3.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -12.0980 5.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 -12.6530 5.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7270 -13.0380 3.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0470 -12.1220 2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -13.8810 2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 -14.8700 4.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 -14.7470 5.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 -15.4240 3.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 -1.9320 -0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 -1.4640 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6660 -0.6040 -2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4810 -1.8550 -1.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -0.3170 -2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 -13.3210 3.6090 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0200 -13.3060 2.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 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 24 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 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 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 54 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 54 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END