MDPI-ZINC03846314 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 30 0 0 1 0 0 0 0 0999 V2000 -0.9330 1.6490 -1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 0.3750 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 0.7060 0.8470 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0430 0.0670 1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 0.2190 0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -1.0460 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -0.6520 -1.1520 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3060 -0.0440 -2.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 -1.9320 -1.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 -2.9540 -1.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 -2.0060 -3.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 -1.0050 -3.7970 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6930 2.1350 1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 2.8200 1.6350 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 -0.2350 -0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 2.2300 -1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 1.4060 -2.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 2.3100 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 0.9500 0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 0.0120 2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0180 -1.4010 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 -1.8400 0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8530 0.7850 -1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0470 -0.8000 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 0.3320 -3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6460 -0.4620 -1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 -1.1560 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9950 0.4610 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -3.0450 -3.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 2.4500 1.4980 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 29 2 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 M CHG 1 12 -1 M CHG 1 30 -1 M END