PUBCHEM-ZINC05979250 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 1.5850 -1.1450 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -1.1540 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 0.3110 -0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 0.4870 -2.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 0.1780 1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 1.6200 1.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 1.6790 2.8460 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 1.9090 4.2210 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4600 2.8800 4.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1860 1.8830 5.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2390 2.0660 6.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 3.3750 7.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 3.5400 8.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4840 4.7780 9.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2280 5.7950 8.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 5.6830 6.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5990 4.4800 6.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 1.1430 7.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2360 1.6580 4.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5290 1.5630 4.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7450 1.5380 2.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4450 1.3400 1.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 0.8170 4.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 0.9980 5.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -0.2870 5.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 -1.1760 4.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 -0.5010 4.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1210 -2.0930 1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -0.3290 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -1.0070 2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -1.2720 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -1.9820 0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 1.2000 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 -0.5580 -1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 1.3560 -2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -0.4030 -2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 0.6330 -3.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -0.1610 2.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9760 -0.4640 1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 2.2580 1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1240 1.9660 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0280 2.7120 9.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 4.9160 10.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0620 6.5430 6.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6330 4.3940 5.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1450 1.4000 3.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 1.9420 5.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6930 -0.5120 5.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -2.2500 4.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 0.1140 0.2110 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 50 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 5 50 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 10 11 1 0 0 0 0 10 19 2 0 0 0 0 11 12 1 0 0 0 0 11 18 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 M END