PUBCHEM-ZINC05592260 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 0 0 0 0 0 0999 V2000 -0.7210 1.3510 -2.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 -0.1700 -2.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6360 -0.6120 -1.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 -1.9320 -1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -2.6950 -1.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5590 -2.4080 -0.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 -3.7370 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 -4.6600 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -6.0100 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4260 -6.4410 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4120 -5.5230 -0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1260 -4.1720 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8030 -5.9970 -0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7370 -7.8880 -0.0620 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.8190 -8.2780 0.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 -8.6890 -0.4630 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1560 1.6820 -3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7050 1.8210 -2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 1.6320 -1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -0.4510 -3.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -0.6400 -2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 -4.3230 0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 -6.7280 0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8970 -3.4550 -0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3620 -6.1650 0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3090 -5.2410 -1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7420 -6.9280 -1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 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 22 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END