PUBCHEM-ZINC02036657 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 21 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5730 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 0.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -0.5740 1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -0.4520 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -0.4300 -1.3750 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4620 -1.5240 -1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -0.1300 -1.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 1.0130 -2.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 0.0530 -2.5980 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 1.4540 -2.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 1.9890 0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 2.0710 -0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.8510 1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 -0.3530 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 -1.6640 1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 -0.1780 1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 0.0280 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 -1.5360 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 -0.2320 1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 0.1410 -2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 1.4790 -2.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8840 -1.0330 -1.1590 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 22 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 M CHG 1 22 -1 M END