PUBCHEM-ZINC05919400 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 21 0 0 1 0 0 0 0 0999 V2000 0.0370 1.5700 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 0.0520 -0.0250 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1100 -0.2620 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -0.5320 -1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 -1.1380 -0.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -0.4460 1.2450 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -0.3290 2.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 0.2150 2.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -0.9250 3.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -1.4320 4.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -1.4790 4.9030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 -2.0170 5.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 1.9030 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 1.9450 -1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 2.0490 0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -0.9200 1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.9310 3.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -1.8800 5.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 -1.9660 5.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 -1.4750 6.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -3.0690 5.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -0.3500 -2.3670 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 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 18 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