PUBCHEM-ZINC05438574 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 26 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0200 -0.6160 1.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6720 -1.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -0.1820 -2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -2.1360 -1.1770 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5560 -2.5120 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 -2.6480 -2.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -2.2630 -2.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6810 -2.7660 -3.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1370 -2.5150 -4.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4720 -3.0860 -5.3800 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.7130 -3.4980 -6.2970 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9990 -3.3710 -4.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -2.6200 -1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 -1.8230 -0.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 -2.2010 -3.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -3.7330 -2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5960 -2.7090 -1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1700 -1.1780 -2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7500 -2.9730 -3.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3240 -1.4420 -4.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7060 -3.9360 -1.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 -4.1980 -0.9870 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 3 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 12 1 M END