MDPI-ZINC03636265 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 35 0 0 1 0 0 0 0 0999 V2000 0.1270 1.3770 1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -0.0150 1.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -0.7240 0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 -0.0450 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 1.3550 0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 2.0630 0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 -0.8100 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9110 -0.8870 -1.4000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8000 0.1180 -1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3370 -1.4100 -1.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9170 -2.1010 -0.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 -1.8110 -1.9720 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -1.6590 -3.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -2.4980 -3.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 -2.3490 -5.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 -3.1480 -5.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 -4.0850 -5.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -4.2310 -3.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -3.4370 -3.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 -3.6020 -1.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 1.9280 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 -0.5510 1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.8090 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3880 1.9000 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 3.1480 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5650 -0.3180 0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6580 -1.8160 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2880 -0.9170 -3.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -1.6270 -5.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 -3.0410 -7.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 -4.7040 -5.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 -4.9590 -3.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 -2.9640 -1.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 -1.0650 -2.8890 O 0 5 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 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 20 33 1 0 0 0 0 M CHG 1 34 -1 M END