PUBCHEM-ZINC05513116 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3750 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 1.2100 -0.6830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0170 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 1.3960 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 3.5610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 4.2200 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 5.6210 0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4800 6.3300 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4700 7.7200 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6610 8.4170 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 7.7350 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8780 6.3520 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 5.6470 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1400 8.4860 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1290 9.7040 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2000 7.8870 -0.0340 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2220 -2.0340 -0.0200 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9030 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 3.3440 -0.5170 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3320 1.9410 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 4.0930 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4340 6.0990 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5310 8.2530 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6540 9.4970 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8200 5.8220 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7030 4.5670 -0.0080 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 20 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END