MDPI-ZINC03844660 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 1 0 0 0 0 0999 V2000 1.1710 2.7850 -0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 1.5080 -0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 0.4350 -0.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9100 0.6390 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 1.9160 -0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5310 2.9900 -0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8580 -0.5310 -0.7330 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4050 -1.3380 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1520 -1.0200 0.6870 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5110 -0.1860 1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2050 -2.0960 0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8320 -3.4270 0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7980 -4.4150 0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1380 -4.0720 0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5100 -2.7420 0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5440 -1.7540 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9440 -0.3290 0.6740 N 0 3 0 0 0 0 0 0 0 0 0 0 8.1150 -0.0210 0.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1010 0.5350 0.8370 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9570 -1.5470 1.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0770 -0.1260 -1.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 3.6240 -0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 1.3480 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -0.5640 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4630 2.0760 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9130 3.9880 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7860 -3.6950 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5070 -5.4540 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8920 -4.8440 0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5570 -2.4740 0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 -2.2940 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4470 0.6950 -1.0060 H 0 0 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END