PUBCHEM-ZINC06169418 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 1.0910 2.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 -0.1590 2.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 0.2590 2.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 1.0820 1.2530 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2940 0.4530 0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 2.2540 1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7320 3.4000 1.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 4.4530 1.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8020 4.3270 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0640 3.2220 0.5660 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.2270 2.2030 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3140 3.1270 -0.1920 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.5950 2.0800 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1300 3.7670 -1.5750 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.3120 3.2760 -2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4320 3.5890 -2.3630 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.5350 2.5470 -2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5990 3.9770 -1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5010 4.0700 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3500 3.8320 0.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7000 4.4480 0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7470 4.6670 0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4040 4.4210 -3.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8410 5.1580 -1.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.4470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 1.8590 3.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 0.8210 2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -1.0380 2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 -0.3320 3.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 -0.6190 2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 0.8740 3.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 3.4700 2.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4240 5.3610 2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5090 5.1430 1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4740 1.3160 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5490 4.1870 -1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1990 4.3600 -4.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7130 5.6250 -2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5600 1.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6350 4.5520 1.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4470 4.8030 2.3940 H 0 0 0 0 0 0 0 0 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 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 42 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 42 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 11 1 M END