PUBCHEM-ZINC05247762 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 -0.0360 1.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 0.0620 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -0.4810 0.0300 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9740 -0.0510 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 -2.0040 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 -0.1210 -1.2210 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4710 -0.0240 -1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0980 0.4200 -2.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4990 0.5080 -2.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0800 0.9000 -3.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1980 0.1560 -1.3070 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1660 0.2170 -1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5650 -0.2780 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2140 -0.5910 0.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2230 -0.3770 -0.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7840 -0.6960 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 0.8010 -3.5860 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1060 0.6240 -3.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8680 1.2930 -4.5510 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9830 1.9790 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 1.9340 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 1.9520 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 -0.2980 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -0.2800 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 -2.4340 -0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 -2.2720 1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4160 -2.3910 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 0.0490 -2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END