MDPI-ZINC03844068 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 1 0 0 0 0 0999 V2000 -0.1650 1.7200 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 0.1860 0.0870 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5540 -0.0820 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -0.3540 1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 0.2280 1.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7390 -0.2560 2.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 -1.3470 3.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 -1.9530 3.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -1.4840 2.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 -2.1950 1.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 -1.9310 0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 -0.4250 -0.0360 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1130 0.0460 0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 -0.2640 -1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -0.1990 -2.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9240 -1.9170 4.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1620 -1.3380 4.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 2.2140 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 2.0870 -0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 2.0590 1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.0690 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6740 0.2430 2.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 -2.8120 3.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8370 -3.2760 1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 -1.8640 2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 -2.4230 -0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 -2.3830 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9070 -1.4170 4.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0300 -0.2990 5.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5360 -1.9030 5.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3590 -0.2170 -1.4180 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 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 7 8 2 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 16 17 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 M CHG 1 31 -1 M END