PUBCHEM-ZINC05850578 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 1 0 0 0 0 0999 V2000 -0.0870 1.5220 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -0.0100 0.0170 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3850 -0.3570 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 -0.5370 1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 1.5580 1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 2.1030 0.0230 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8080 1.8660 -0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 3.6030 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 4.1830 0.7590 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 -0.6080 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 -0.2400 -0.7780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 1.8930 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 1.8720 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 -0.2720 2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -1.6220 1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2090 1.8510 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 1.8270 2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 0.0630 1.0940 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7270 -0.3180 1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 -0.2260 0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6090 4.0660 0.0030 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6330 -1.4220 1.0700 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 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 10 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 21 1 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 M CHG 1 18 1 M CHG 1 21 -1 M CHG 1 22 -1 M END