PUBCHEM-ZINC05967069 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 0.9700 1.8310 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 1.3440 2.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 1.2840 3.0650 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5540 0.5510 2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 2.6150 3.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 2.7910 4.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1400 3.9650 4.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9620 4.9960 3.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 4.8910 2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 3.6480 2.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 3.4650 1.0480 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4900 3.9840 1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 4.0670 -0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 5.5310 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 5.9440 1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 7.3360 1.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7460 8.2730 0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 7.8180 -0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 6.4550 -0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9150 9.5860 0.8960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 10.5500 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 7.8010 2.8720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 8.2050 3.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7890 6.0850 3.6350 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0530 4.2060 5.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2060 3.2220 6.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 0.8600 4.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 0.7670 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 2.4180 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 2.1540 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 1.9060 2.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 0.3290 1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5210 1.9770 4.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 3.9760 -1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 3.5570 -0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 8.4970 -1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 6.1220 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 10.5900 -0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6880 10.3580 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 11.5300 0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 7.3900 3.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 9.0940 3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 8.4560 4.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3140 6.8800 3.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9390 3.5960 7.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5970 2.2870 6.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2660 3.0550 6.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -0.1110 4.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 2.0060 0.7760 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9350 1.5230 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 49 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 27 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 49 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END