PUBCHEM-ZINC05647517 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 1 0 0 0 0 0999 V2000 0.1880 1.5950 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 0.2460 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -0.3700 0.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0860 0.6290 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 1.8260 0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5080 0.4350 0.0370 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9330 -0.6600 0.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2120 1.3790 -0.3390 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3370 -1.8090 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -2.3650 1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 -3.5310 1.3850 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4390 -3.3060 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1150 -3.8390 2.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -5.8820 4.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5210 -7.2400 3.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8490 -7.0870 3.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8430 -6.4900 2.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2350 -5.0910 2.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9770 -4.7300 0.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6410 -4.5650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 2.4120 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 -0.3030 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -2.2650 -0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 -2.0210 -0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -1.5770 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 -2.6880 1.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8040 -3.0810 3.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 -3.9610 3.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 -6.0010 4.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3730 -5.2320 4.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5950 -7.7210 4.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9530 -7.9090 3.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8810 -6.4310 1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2990 -7.1390 1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8030 -4.4350 2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1790 -4.6550 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8270 -5.1750 2.7460 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2410 -5.7210 2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 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 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 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 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 37 38 1 0 0 0 0 M CHG 1 6 1 M CHG 1 8 -1 M CHG 1 37 1 M END