PUBCHEM-ZINC06458428 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 67 0 0 1 0 0 0 0 0999 V2000 0.7040 1.6290 -0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 0.2770 -0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 -0.5720 -1.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -1.8380 -1.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 -2.2550 -1.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 -2.5770 -2.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 -3.8720 -3.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 -4.0700 -3.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2860 -2.9500 -3.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 -2.0610 -2.9950 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -1.1400 -2.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -2.6000 -4.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 -5.1570 -4.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7530 -6.0050 -4.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 -5.3080 -5.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 -6.6960 -5.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 -4.4520 -6.5120 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1160 -4.4460 -5.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -5.2020 -7.6890 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 -6.2910 -7.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 -7.0530 -8.9250 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 -6.3980 -6.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 -7.2480 -6.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 -4.8440 -8.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 -4.0110 -9.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 -3.3910 -12.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1630 -3.3650 -13.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2340 -2.5800 -12.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7200 -3.1230 -11.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 -3.1430 -10.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -3.0420 -6.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -1.8760 -6.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -0.7120 -7.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 -1.0220 -7.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 -2.7050 -7.8890 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -4.8330 -2.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 1.5260 -0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 2.0700 -1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 2.3160 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -0.1620 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 0.3920 -1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5520 -1.6240 -4.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3700 -2.5570 -3.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9160 -3.3350 -5.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 -5.7800 -8.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -4.3210 -7.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -2.9810 -9.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -4.4700 -10.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 -4.0400 -12.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 -2.3830 -11.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8570 -2.9110 -13.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -4.3770 -13.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 -2.4920 -10.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1210 -4.1280 -11.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 -2.1340 -9.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9800 -3.6180 -9.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 -1.8530 -5.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 0.3020 -6.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0900 -0.3380 -8.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 -4.4810 -3.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 -5.8280 -3.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -4.9390 -1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -3.9480 -10.6900 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7460 -4.9150 -10.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 40 1 0 0 0 0 2 41 1 0 0 0 0 3 4 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 10 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 31 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 63 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 63 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 30 63 1 0 0 0 0 31 32 2 0 0 0 0 31 35 1 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 33 34 2 0 0 0 0 33 58 1 0 0 0 0 34 35 1 0 0 0 0 34 59 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 36 62 1 0 0 0 0 63 64 1 0 0 0 0 M CHG 1 63 1 M END