PUBCHEM-ZINC02187273 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3770 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0350 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 1.4160 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 2.1790 -0.0210 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7140 1.5890 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6260 3.3970 -0.0140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2380 -2.0770 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -2.8300 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -4.3300 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 -5.0830 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 -6.4790 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -7.1560 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -8.5360 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -9.2460 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -8.5750 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 -7.1950 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3820 -9.3390 -0.0120 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3600 -10.5560 -0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4470 -8.7490 0.0010 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9030 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3510 -0.4880 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0860 -2.5480 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 -2.5810 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 -2.5720 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -4.5790 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 -4.5880 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8190 -4.6110 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -6.6020 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -9.0630 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 -10.3260 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0840 -6.6720 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 20 1 M CHG 1 22 -1 M END