PUBCHEM-ZINC05489720 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 0 0 0 0 0 0999 V2000 1.2620 -0.3580 1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -1.7350 1.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 -1.9540 1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 -1.0780 0.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 -3.2980 0.9050 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -3.8250 0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 -3.0610 0.7060 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 -2.0500 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1380 -3.8980 0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5110 -3.6600 0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3460 -4.7820 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8060 -6.0750 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4190 -6.2810 0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5760 -5.1680 0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 -5.1050 0.6500 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8130 -4.5420 0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2710 -3.4700 0.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7660 -5.6160 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5180 -6.1020 1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4320 -7.1360 0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6040 -7.6850 -0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8690 -7.1910 -1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9390 -6.1410 -1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2110 -5.6320 -2.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4880 -4.5980 -2.3900 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3480 -0.3050 1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 0.1860 0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 0.0920 2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -3.9370 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9170 -2.6540 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4440 -6.9490 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0020 -7.2820 0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3850 -5.6710 2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0050 -7.5110 1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3140 -8.4930 -0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0280 -7.6290 -2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3810 -6.2870 -3.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 15 2 0 0 0 0 7 8 1 0 0 0 0 7 9 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 30 1 0 0 0 0 11 12 1 0 0 0 0 11 16 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 32 1 0 0 0 0 14 15 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 23 2 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 37 2 0 0 0 0 M CHG 1 25 -1 M END