PUBCHEM-ZINC05647629 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 31 0 0 1 0 0 0 0 0999 V2000 0.7730 1.6290 -1.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 0.3350 -1.5530 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -0.0780 -0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 0.9660 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 2.0690 -0.7500 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 3.4180 -0.7020 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0660 3.4110 -1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 4.0930 0.6010 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4130 4.9500 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 4.7100 1.1620 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7170 5.5200 1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 5.2070 -0.1010 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2500 6.1890 -0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 4.3190 -1.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 5.2680 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 5.8560 -1.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 5.3840 -1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 3.7000 1.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 3.1260 2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3680 3.2840 1.4980 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8600 0.8190 1.0270 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3430 1.6640 1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0430 -0.4040 1.5830 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -1.4130 1.1370 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 -1.3770 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -2.3750 -0.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 2.2960 -2.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 4.2700 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 5.8800 0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 M CHG 1 20 -1 M END