PUBCHEM-ZINC05631656 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 25 0 0 1 0 0 0 0 0999 V2000 0.1290 0.7870 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 0.8410 -1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 1.4960 -2.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 0.3060 -1.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 0.4020 -3.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 0.9910 -4.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0400 -0.2130 -3.5670 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6660 -0.2820 -4.8980 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4950 0.6720 -5.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1540 -1.4680 -5.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 -1.1820 -6.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 -0.5140 -7.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 -1.7400 -5.7050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -1.5830 -6.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 -2.2890 -4.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1910 -0.5480 -4.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5180 -1.0230 -3.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 0.2650 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 0.2640 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 1.8000 0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 -0.2000 -1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 1.4880 -3.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6180 -0.6590 -2.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0880 -2.3700 -5.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8330 -1.7140 -6.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9040 -0.2610 -5.7500 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 23 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 24 1 0 0 0 0 10 25 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 15 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 M CHG 1 26 -1 M END