PUBCHEM-ZINC05157530 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 44 0 0 0 0 0 0 0 0999 V2000 -1.3950 -0.2060 -3.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 -0.3260 -2.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2100 -1.5320 -2.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0880 -2.4620 -3.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1420 -1.4990 -1.9290 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1040 -2.5760 -1.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4860 -3.8210 -1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4780 -4.8500 -0.6600 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8140 -5.8790 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7690 -6.5750 1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4740 -7.9880 1.3210 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7140 -8.9020 0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1840 -8.5490 -0.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3510 -10.3380 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1860 -11.0730 -0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8870 -12.4360 -0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7530 -13.0980 0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9130 -12.3920 1.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2060 -11.0080 1.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3460 -10.3670 3.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8440 -9.2030 3.2520 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.0870 -5.4630 -1.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1530 -6.3470 -1.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 0.6780 -3.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 -0.9790 -4.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5210 0.4610 -2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1790 -0.7110 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9090 -2.1690 -1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5200 -2.8220 -2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7160 -4.2590 -1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9670 -3.4620 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2780 -6.5980 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0350 -5.4140 0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6810 -6.1130 2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8190 -6.4900 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0820 -8.3330 2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2930 -10.5790 -1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7670 -12.9750 -1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5270 -14.1600 0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8100 -12.9240 2.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5400 -4.6940 -2.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3510 -5.9940 -2.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7480 -7.2080 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9320 -11.0350 4.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 26 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 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 14 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 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 44 2 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 M CHG 1 21 -1 M END