PUBCHEM-ZINC06118694 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 26 0 0 1 0 0 0 0 0999 V2000 -0.0280 1.4480 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 0.0570 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -0.6630 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3640 0.0670 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 1.4570 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 2.1640 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7330 1.7940 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5350 0.7290 -0.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 -0.3100 -0.1060 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2140 -1.6620 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4450 -2.2400 -1.4760 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1050 -1.5820 -2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1410 -3.6340 -1.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0110 -4.3370 -2.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 1.9830 0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 -0.4800 0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -1.7450 0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 3.2460 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1700 2.7770 -0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1510 -1.6070 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5290 -2.2870 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7180 -3.9070 -0.3010 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1860 -2.4250 -2.2600 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5720 -3.0480 -1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4810 -3.0260 -3.0480 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 15 1 0 0 0 0 2 3 2 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 18 1 0 0 0 0 7 8 2 0 0 0 0 7 19 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 20 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 22 -1 M END