PUBCHEM-ZINC04203795 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 1 0 0 0 0 0999 V2000 -0.1330 1.6730 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 0.1410 -0.0590 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4670 -0.1510 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -0.3810 -1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 -0.0380 -1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 0.0550 -0.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -0.4710 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 -1.2570 1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1120 -1.8020 1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0130 -1.6240 0.0730 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 -0.8660 -0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -0.2770 -1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8610 2.1240 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 2.0570 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 2.0300 0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -1.4770 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -0.0070 -2.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -1.4450 1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4510 -2.4170 1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3480 -0.7370 -1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 0.3180 -1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 0.0980 -2.3650 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 7 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 6 2 0 0 0 0 5 22 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 M CHG 1 22 -1 M END