IBS-ZINC02257977 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 64 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3900 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 1.1780 -0.6880 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.0150 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4320 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 2.1040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 2.1250 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6720 1.4800 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0850 1.8920 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8370 0.7220 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0210 -0.3670 -0.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 0.0150 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5590 -0.6500 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4860 -1.7560 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6620 -2.2480 1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1410 -3.6770 1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4960 -3.9520 1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9360 -5.2620 1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0200 -6.2980 1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6660 -6.0240 1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2260 -4.7130 1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5800 -7.9690 1.3170 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5180 -8.7430 0.7790 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8870 -7.9480 0.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7530 -8.4430 2.8950 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2060 0.6720 -0.0720 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5970 3.2600 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8210 3.8250 1.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8220 3.8970 -1.2090 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3350 5.2700 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4980 5.7470 -2.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 6.3860 -3.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5990 6.8240 -4.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7950 6.6240 -5.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8420 5.9850 -4.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6950 5.5520 -3.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9820 7.1740 -6.8690 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 1.9100 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5490 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -1.7680 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 3.1840 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7530 -2.3810 -0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4410 -1.8150 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3950 -1.6240 1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7080 -2.1900 1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2110 -3.1420 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9940 -5.4770 1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -6.8330 1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1680 -4.4980 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -9.3730 3.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9830 -7.7910 3.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7210 1.4940 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6600 -0.1850 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6440 3.4480 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6340 5.9190 -0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3010 5.2950 -0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5160 6.5420 -2.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7800 7.3230 -5.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7770 5.8280 -5.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5140 5.0570 -2.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 38 1 0 0 0 0 2 3 2 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 2 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 31 36 2 0 0 0 0 32 33 2 0 0 0 0 32 57 1 0 0 0 0 33 34 1 0 0 0 0 33 58 1 0 0 0 0 34 35 2 0 0 0 0 34 37 1 0 0 0 0 35 36 1 0 0 0 0 35 59 1 0 0 0 0 36 60 1 0 0 0 0 M END