IBS-ZINC05451285 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 31 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2140 -0.6830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 1.4140 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5860 2.1360 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7370 3.4780 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0210 3.7250 -0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6920 2.6300 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8930 1.6180 -0.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -2.0800 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -2.9160 -1.0290 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -4.2950 -0.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 -2.3540 -0.8560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -2.5460 -2.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 -3.2310 -3.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -2.7530 -4.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -1.6800 -5.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -1.2220 -3.6520 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -0.4980 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.1670 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 4.2120 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8390 -2.5600 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1230 -4.0930 -2.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 -3.2140 -5.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 -1.1730 -5.9540 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 M END