PUBCHEM-ZINC05727681 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 0 0 0 0 0 0999 V2000 -0.3600 1.3780 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 -0.1500 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -0.6810 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 -0.4100 2.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 -1.1180 2.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -0.5890 1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1560 0.8000 1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8210 -1.5290 1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 -0.9500 3.6270 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -0.2430 4.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -0.7120 5.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 -0.0110 6.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 1.1560 7.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 1.6250 6.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 0.9260 5.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 1.4250 4.1380 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3230 2.5090 4.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1190 0.7520 3.1750 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7330 1.9190 8.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 1.4590 9.4190 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 3.2820 8.1840 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 1.7230 8.7680 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 -1.9600 5.4020 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5350 -2.3060 6.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 -2.6420 4.4420 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1760 -0.7050 -1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 1.6570 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 1.7570 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 1.8070 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 -1.7570 1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -0.1900 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 0.6580 2.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -2.1920 2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 -0.9450 3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 1.4800 1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7430 1.1770 0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7890 0.7320 2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4170 -1.5300 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4310 -1.1790 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 -2.5400 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -1.9350 3.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 -0.3740 7.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 2.5370 6.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -0.4030 -1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -1.7940 -1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 -0.3110 -2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 -0.5660 0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 -0.1700 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 47 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M CHG 1 23 1 M CHG 1 25 -1 M END