PUBCHEM-ZINC06470891 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 2.1880 0.3390 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -0.4620 0.0200 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0920 0.2080 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -1.7110 -0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 -2.2840 -0.7670 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 -0.8680 1.4250 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -1.1140 2.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -1.6030 3.6100 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5670 -1.6960 4.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -1.9170 5.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0040 -1.6580 4.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 -0.6890 3.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -1.0820 1.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7030 -0.8190 2.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 0.7720 3.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 -0.7800 4.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 0.3930 4.5190 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0290 -1.4760 4.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0600 -0.5960 5.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3640 -1.2920 5.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4350 -1.4030 4.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3590 -2.1610 4.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9090 -2.4830 6.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6410 -1.9330 6.3360 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6770 -2.6190 4.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6650 -2.5700 2.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0760 -1.2580 2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6900 -0.9310 2.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8790 -0.2530 2.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1050 -0.2480 -0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 0.6650 -1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 1.2320 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -2.6360 3.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 -2.6820 3.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 -1.3750 5.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -0.4010 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 -2.0930 1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3950 -0.5620 3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9160 -0.1540 1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9320 -1.8430 2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 0.9500 3.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 1.4590 2.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 1.0520 4.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 -2.4020 4.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3730 -1.7410 3.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2130 0.3300 4.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6740 -0.2840 5.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4590 -1.9570 4.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8920 -3.6370 4.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6820 -2.7140 2.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0620 -3.4080 2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7390 -0.4190 2.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 -1.3330 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 -2.0030 -1.6840 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 54 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 24 2 0 0 0 0 21 22 2 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 2 0 0 0 0 M CHG 1 54 -1 M END