PUBCHEM-ZINC05919400 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 21 0 0 1 0 0 0 0 0999 V2000 -0.0220 1.6310 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 0.1160 -0.4960 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6070 -0.2230 -1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 -0.3180 0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -0.9520 1.6350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 -0.5180 -0.3720 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2160 -0.6060 -1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -0.0310 -2.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3800 -1.2190 -1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4400 -1.2960 -2.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2620 -0.7880 -3.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7220 -1.9940 -1.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 2.1090 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 2.0050 -1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 1.9700 0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 -0.9540 0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5690 -1.6690 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 -0.1720 -3.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5340 -1.2640 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9310 -2.7640 -2.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6540 -2.4770 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1590 0.0010 0.7300 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 22 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 M CHG 1 22 -1 M END