MDPI-ZINC00007488 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 0 0 0 0 0 0999 V2000 0.0740 1.5660 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 0.0390 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.4760 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 -2.0020 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 -2.5860 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 -2.0730 -1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -0.5470 -1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 -4.1150 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -4.7350 0.6630 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5350 -4.8110 -0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4720 -6.3290 -0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5980 -7.0420 -1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -6.3060 -1.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 1.9520 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 1.9360 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 1.9850 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 -0.2840 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 -0.0910 1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -0.1020 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 -2.3350 2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -2.3780 1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 -2.2740 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 -2.4410 -2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -2.4700 -1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -0.2260 -2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 -0.1600 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 -4.5050 -1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4870 -4.4500 -0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 -6.6330 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 -6.6890 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5570 -8.3030 -1.2500 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 M CHG 1 31 -1 M END