PUBCHEM-ZINC06349962 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 1 0 0 0 0 0999 V2000 0.7400 -2.0690 2.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 -2.3460 0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -1.0580 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 -1.3020 -1.3400 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2490 -2.0970 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -0.0140 -2.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 0.4810 -2.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -3.0800 -2.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 -3.6260 -2.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 -4.7740 -2.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0110 -5.3650 -2.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8470 -4.8500 -1.7070 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5790 -3.7420 -0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3450 -3.0610 -1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0440 -2.0250 -0.4570 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.6270 -3.2960 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 -5.4850 -3.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 -6.2760 -3.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 -7.8830 -2.9750 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 -8.3090 -4.4310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7130 -1.6150 2.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -1.3920 2.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -3.0010 3.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 -3.0500 0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -2.8360 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -0.3470 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 -0.5820 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -3.7540 -1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 -2.9980 -3.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3320 -6.2860 -3.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7140 -5.3530 -1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2450 -3.3550 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9420 -2.2690 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5170 -3.9310 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 -6.0820 -4.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -4.7760 -4.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 0.3570 -2.0560 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8330 -1.7260 -1.6850 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5660 -1.6460 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -0.9850 -2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -8.4770 -2.0440 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.7390 -7.9320 -2.4370 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 38 1 0 0 0 0 6 7 2 0 0 0 0 6 37 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 M CHG 1 12 1 M CHG 1 15 -1 M CHG 1 37 -1 M CHG 1 38 1 M CHG 1 41 -1 M CHG 1 42 -1 M END