MDPI-ZINC04293726 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 36 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7040 -0.4850 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.8200 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -2.3160 2.3580 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 -1.4850 3.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2630 -0.9600 3.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 -0.1540 4.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -0.1870 5.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 -1.0000 4.4030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -1.2690 4.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 -0.7080 5.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 0.1510 6.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 0.3500 7.8380 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 -0.3560 7.4600 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 -1.0160 6.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -1.8210 5.4960 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 -2.3210 4.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -2.0560 4.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3760 -0.3820 8.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2780 -1.1940 2.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0840 -1.3800 1.5310 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 -2.4800 0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2610 0.3980 4.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 0.5720 7.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 -2.9710 3.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0150 0.4260 7.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8710 -1.3380 8.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1860 -0.2520 9.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 19 2 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 3 0 0 0 0 M END