PUBCHEM-ZINC05955122 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 -3.7210 -3.8780 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9110 -4.4070 0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 -3.0430 -0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 -2.6160 -1.9380 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0370 -3.1900 -2.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 -3.0880 -3.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5610 -3.9630 -1.3140 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4150 -4.5010 -1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 -2.6000 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 -3.0050 -0.6250 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1860 -4.0980 -0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -2.6000 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 -3.0230 -0.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -3.2100 -2.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3470 -1.7660 -3.7610 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4640 -1.1690 -4.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 -0.8500 -3.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 -0.0380 -1.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 0.9950 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0970 1.5180 -1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 1.3370 -0.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 2.0280 0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 0.5260 -0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 0.4920 0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 -0.2370 -1.5240 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7730 -1.0340 -1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9450 -2.2720 -5.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -2.1740 -5.2390 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 -1.5110 0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -3.0320 1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 -4.2680 -2.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 -3.0210 -3.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1430 -1.4260 -2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 -0.1450 -3.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -1.8290 1.2000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0990 -2.3240 -1.9820 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 -2.2760 -2.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9740 -2.9500 -2.9460 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 -2.8910 -1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 -2.6760 -5.9530 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 36 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 15 38 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 25 26 1 0 0 0 0 27 28 2 0 0 0 0 27 40 1 0 0 0 0 36 37 1 0 0 0 0 38 39 1 0 0 0 0 M CHG 1 25 1 M CHG 1 35 -1 M CHG 1 40 -1 M END