MDPI-ZINC03847892 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 31 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3800 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 0.0340 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4300 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0940 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 -0.6840 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7140 -1.8980 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 0.0090 -0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0810 -0.7620 -0.0590 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0720 -1.4630 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2680 0.1610 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6690 1.0740 -1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8400 1.7910 -0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6080 1.5920 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2160 0.6780 1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0370 -0.0490 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3630 -1.0720 1.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7700 -1.4860 2.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2340 -1.4820 1.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -1.7600 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9890 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 3.1740 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0720 1.2320 -2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1540 2.5080 -1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5200 2.1550 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8180 0.5250 2.0390 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 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 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M END