MDPI-ZINC03846444 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 34 0 0 1 0 0 0 0 0999 V2000 0.3190 1.5500 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 0.0270 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -0.6430 1.2500 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9700 -0.5390 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -0.0070 2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 0.1410 1.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 -0.4290 0.4140 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0690 -1.9420 0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8580 -2.8200 0.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -2.0980 1.1270 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9550 -2.6770 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 -2.7700 2.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -4.2230 2.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -4.6750 1.2390 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 0.0080 -0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 -0.5780 -1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 1.8140 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 1.9710 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 1.9490 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -0.6670 3.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 0.9690 2.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 -0.4500 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 1.1890 1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 -2.6920 2.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 -2.2760 3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2160 -0.3970 -1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3530 -0.3650 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4290 1.0960 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 -0.3230 -1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -1.6620 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -0.1800 -2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -5.0160 3.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 -5.9400 3.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 32 33 1 0 0 0 0 M END