PUBCHEM-ZINC04253771 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 22 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3950 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 1.2500 -0.3970 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 0.7410 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 1.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4690 0.7500 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 -0.4470 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5540 -0.4350 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2360 0.7680 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5380 1.9620 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1570 1.9560 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7160 0.7780 -0.0690 N 0 3 0 0 0 0 0 0 0 0 0 0 8.3320 -0.2730 -0.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3180 1.8360 -0.0690 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8990 2.0180 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 -0.6490 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 2.8600 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 -1.3870 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1010 -1.3660 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0740 2.9000 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 2.8890 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 15 1 0 0 0 0 2 3 2 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END