MDPI-ZINC03847259 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 38 0 0 1 0 0 0 0 0999 V2000 -0.0230 1.3710 0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 0.0580 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 -0.5930 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 0.0850 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 1.3970 0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 2.0570 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7700 1.8890 0.2760 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9330 2.3760 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3370 2.7490 1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8450 3.0230 1.1250 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4070 3.0090 2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4810 2.0180 0.2290 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9550 0.6820 -0.0270 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5380 -0.0070 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4950 0.5300 0.3420 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4800 0.1820 1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 -0.4080 -0.3950 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 0.4640 -1.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7770 1.0860 -1.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6590 2.2290 -0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4710 3.1300 -0.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8350 4.4810 0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4670 4.6100 -0.6390 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 1.8600 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 -0.4560 -0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 -1.6100 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 3.0800 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7540 3.6720 1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2400 2.2260 2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9420 -1.2470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3870 -0.5900 -1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7190 1.0090 -2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5330 0.3820 -1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0460 1.4550 -2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1360 5.3710 1.4140 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 M CHG 1 35 -1 M END