MDPI-ZINC03847551 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 29 0 0 0 0 0 0 0 0999 V2000 0.1210 1.1770 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -0.1330 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -0.6810 -0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 0.0910 -0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 1.4230 -0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 1.9580 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6620 2.2140 -0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 3.5270 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9490 4.1900 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2110 5.4630 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5040 5.8600 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2800 4.9550 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4070 3.5280 0.8110 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 1.5670 -1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8840 2.1920 -1.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7900 0.2940 -1.4590 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 -0.4540 -1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -1.6020 -1.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 1.5910 0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 -0.7310 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 -1.7020 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 2.9770 0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 4.0410 0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4730 6.0860 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8700 6.8320 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3190 5.1090 0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5890 -0.1030 -1.8400 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 19 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 M END