IFLAB-ZINC04517778 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 -0.0100 1.8050 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0090 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -0.5070 1.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 -0.5140 -0.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -0.4390 -1.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 -1.0940 -1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7140 -1.4310 -2.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1630 -1.1150 -3.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 -0.4610 -3.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -0.1230 -2.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 0.5730 -2.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 0.8710 -1.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 0.8770 -3.9860 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 1.4290 -4.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7530 1.2100 -3.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0320 1.7560 -3.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4240 2.5200 -4.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5310 2.7680 -5.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 2.2220 -5.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 2.4740 -6.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7300 3.2440 -7.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0120 3.7860 -7.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9080 3.5520 -6.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 2.1740 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 2.1680 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 2.1620 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 -1.3430 -0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 -1.9430 -2.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6840 -1.3810 -4.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -0.2140 -4.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 0.7120 -4.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4670 0.6070 -2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7250 1.5710 -2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4210 2.9350 -4.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 2.0610 -6.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 3.4370 -8.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3030 4.3940 -8.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8990 3.9780 -6.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 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 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 M END