MDPI-ZINC03850694 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 32 0 0 0 0 0 0 0 0999 V2000 -0.0740 1.4460 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -0.0060 -0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -0.6030 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 0.0720 -1.9310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -2.0720 -1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -2.8530 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -4.2340 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 -4.8000 -1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -6.2730 -1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 -6.9200 -2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -8.2970 -2.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -9.0370 -1.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -8.4080 -0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -7.0220 -0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 -6.4050 0.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -5.1600 0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -4.8190 2.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 -2.7070 -2.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 -1.9400 -3.3170 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 1.8290 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 1.8020 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 1.7960 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -2.3990 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 -6.3440 -3.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 -8.8010 -3.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -10.1160 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 -8.9950 0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6660 -0.9740 -3.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 -2.3670 -4.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -4.0270 -2.3440 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 18 2 0 0 0 0 6 7 2 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 30 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 M END