PUBCHEM-ZINC04557178 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 52 0 0 1 0 0 0 0 0999 V2000 0.0310 1.3590 0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 -0.1180 0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -0.6930 1.6950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 -0.7450 -0.2570 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -2.1960 -0.2590 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2670 -2.6630 0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 -2.7150 -1.7050 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3920 -2.2410 -2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 -2.3980 -2.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7270 -2.7910 -1.5010 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5890 -2.1990 -0.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4030 -2.5970 0.5160 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4060 -3.6900 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -2.0050 1.9460 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4820 -0.9090 1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7850 -2.4130 2.6460 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9340 -3.4980 2.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8260 -1.9750 4.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1440 -2.2030 4.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7210 -1.9900 3.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9240 -1.7990 2.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7370 -1.7880 1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -2.4190 2.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 -1.8410 2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9590 -2.1790 -2.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1820 -2.6620 -3.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7870 -4.2300 -1.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7420 -4.9090 -0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8330 -4.3370 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7670 -5.1370 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6300 -6.5230 0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5530 -7.1200 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6220 -6.3070 -0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4920 -6.9590 -1.3880 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.7300 -7.9660 -2.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3630 -6.4870 -1.1820 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8990 -4.1110 -1.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 -4.6380 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 1.6930 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 1.5910 -0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 1.8890 0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 -0.1840 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5590 -1.3200 -2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5660 -2.9270 -3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1110 -2.5260 4.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6270 -0.9020 4.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0080 -3.2660 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6100 -4.6660 1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3630 -7.1330 1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4450 -8.2020 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5930 -1.2660 -1.6670 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 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 42 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 37 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 47 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 31 32 2 0 0 0 0 31 49 1 0 0 0 0 32 33 1 0 0 0 0 32 50 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 37 38 1 0 0 0 0 M CHG 1 34 1 M CHG 1 36 -1 M CHG 1 51 -1 M END