PUBCHEM-ZINC05668109 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -0.7190 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.6940 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 -0.1000 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -2.1580 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2940 -2.8480 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 -4.3200 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -5.0060 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 -6.3850 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 -7.0890 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 -6.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 -5.0390 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7140 -7.1810 0.0070 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.6920 -8.3980 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7800 -6.5910 0.0200 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -0.9020 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -1.6700 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -0.1170 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 -2.6850 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 -2.3200 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -4.4580 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -6.9160 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 -8.1690 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4180 -4.5160 0.0310 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 4 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 28 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