PUBCHEM-ZINC05131997 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5300 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -0.0020 0.0140 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5800 -0.3490 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -0.5850 -0.0360 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9670 -0.2480 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4440 -2.1260 -0.0730 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0030 -2.5260 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 -2.6790 -0.2870 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7400 -3.7470 -0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 -2.0400 -1.5740 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4830 -2.2940 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2570 -0.5280 -1.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0170 0.1500 -2.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1290 0.0150 -1.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6840 -2.5940 -2.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 -2.3480 0.7310 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6090 -2.5860 -1.1560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 -2.7190 -1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -0.4180 1.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 0.1810 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 1.9680 0.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 2.9400 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3850 1.9320 -0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 1.9290 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 -2.3340 -3.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 19 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 25 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 M CHG 1 16 -1 M END