MDPI-ZINC03843334 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 30 0 0 1 0 0 0 0 0999 V2000 0.0730 1.8310 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 0.3890 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 -0.0640 -1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 0.1300 -1.5330 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2760 -0.5380 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 1.5800 -1.2010 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8810 2.2420 -2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 2.0360 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7510 1.7880 -1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 0.7460 -1.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 -0.2770 -2.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 0.4080 -3.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8690 -1.5440 -2.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4530 -2.0000 -4.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 -3.2990 -3.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 -4.2850 -3.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7760 -3.8650 -2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 2.5010 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 2.1080 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -0.2680 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 0.2930 -0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -1.1200 -1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 0.4970 -2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 3.0970 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 1.4830 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6460 -2.1750 -4.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1560 -1.2550 -4.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6780 -3.6820 -4.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9410 -3.1570 -3.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1140 2.9880 -0.9130 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 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 30 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 M CHG 1 30 -1 M END