PUBCHEM-ZINC04760564 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 27 0 0 1 0 0 0 0 0999 V2000 0.5010 1.2610 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -0.2220 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 -0.8460 1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -0.4310 0.0610 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8520 0.0080 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 -1.9670 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 -2.4600 -1.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0790 0.1970 -1.1020 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6090 1.4660 -1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5950 2.2430 -0.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 1.8590 -2.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9220 3.2140 -3.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 1.3810 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 1.7220 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 1.8210 0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 -0.7050 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 -0.4610 2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -1.9360 1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 -0.6230 1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -0.4260 -1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 2.4800 -2.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3930 0.9680 -3.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1180 2.4620 -4.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2010 3.9420 -3.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8620 3.7410 -3.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 -2.5190 1.1550 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.4550 2.5950 -2.2610 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2830 3.3090 -1.5490 H 0 0 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 16 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 27 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 27 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 26 -1 M END