PUBCHEM-ZINC05558459 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 0.0990 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6040 -0.5540 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 -1.9490 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 -2.6790 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -2.0300 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 -2.7530 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 -4.1760 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 -4.8040 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 -5.1430 1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0690 -5.6940 0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0140 -5.6630 -0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 -5.1240 -1.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0560 -6.1380 -1.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0840 -6.6120 -1.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8570 0.2290 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0280 -0.3940 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2830 0.3910 0.0740 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.2400 1.6080 0.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3590 -0.1810 0.0800 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3300 1.1780 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6040 -2.4570 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 -3.7580 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7670 -4.5000 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 -4.4830 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -5.0130 2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8820 -6.0690 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8190 1.3080 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0660 -1.4730 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8740 -6.0490 -3.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5890 -6.3750 -3.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 35 36 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END