MDPI-ZINC04267115 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 1.2890 0.3950 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 0.2120 0.6020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 0.8000 1.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 1.8230 2.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 2.4120 3.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 1.9920 4.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 0.9760 4.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 0.3770 2.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 2.5760 5.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.6340 -1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 0.1480 -2.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -0.5320 -3.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 0.2040 -4.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -0.4460 -6.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -1.8320 -6.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -2.5780 -5.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -1.9380 -3.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -2.6770 -2.6580 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -2.0920 -1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -2.7830 -0.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.1400 -2.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 1.4970 -2.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6190 -0.4070 1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 0.5760 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 1.3030 1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7650 2.1510 1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 3.2020 3.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 0.6530 4.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -0.4160 2.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 2.1460 6.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 1.2840 -4.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 0.1240 -7.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -2.3330 -7.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -3.6560 -5.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -4.5200 -2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 -4.5450 -1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 -4.4430 -3.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 1.8390 -1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 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 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 M END