MDPI-ZINC03844657 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 1 0 0 0 0 0999 V2000 -0.0940 0.9210 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -0.4560 -0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -1.0620 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 -0.2930 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 1.0840 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 1.6910 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7380 -0.9540 -0.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6150 -2.0000 0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4260 -0.8720 -1.3740 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4630 0.1680 -1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8280 -1.4130 -1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0790 -2.7440 -1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3650 -3.2410 -1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 -2.4070 -1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1500 -1.0760 -0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8640 -0.5780 -0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5970 0.8490 -0.6000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.4830 1.5560 -0.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4910 1.3150 -0.8060 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6910 -1.6430 -2.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 -0.2880 0.9680 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 1.3960 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 -1.0570 -0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 -2.1380 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 1.6860 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 2.7670 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2700 -3.3960 -1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5600 -4.2810 -1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4050 -2.7950 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9580 -0.4240 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -2.5810 -2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 0.6690 0.8410 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