PUBCHEM-ZINC05674753 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -0.7190 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.6940 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 0.1420 0.0280 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1320 -2.4560 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8510 -2.7830 0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1120 -4.2290 0.0090 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2560 -4.7540 0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3570 -4.5250 0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0890 -4.1740 2.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 -5.0130 3.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 -4.3360 4.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 -4.7310 5.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8700 -3.0110 4.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2230 -2.8500 2.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6020 -1.5940 2.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6250 -0.5250 3.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2750 -0.6780 4.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9050 -1.9100 5.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3360 -4.6930 -1.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2840 -3.9020 -2.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -0.9020 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -1.6700 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -0.1170 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 -2.3300 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1930 -3.9320 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6020 -5.5850 0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4810 -6.0660 3.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8750 -1.4670 1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9180 0.4470 2.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2990 0.1760 5.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 -2.0190 6.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -5.9870 -1.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7310 -6.2380 -2.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 37 38 1 0 0 0 0 M END