MDPI-ZINC03844747 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 36 0 0 0 0 0 0 0 0999 V2000 -0.2940 1.0310 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 -0.3450 0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.8540 0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.0100 0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6160 -0.4850 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 0.3960 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4940 1.7710 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2010 2.2760 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0990 1.4090 0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 1.9030 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9700 -0.0780 -0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4800 -0.7180 -1.4410 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5440 -1.6580 -1.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3540 -1.1480 -2.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2270 0.6630 -2.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6180 0.7860 -2.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1890 1.8770 -2.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 2.8370 -3.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9740 2.7190 -3.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4070 1.6080 -2.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0970 3.7690 -4.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8430 3.6480 -4.0210 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3020 1.4250 0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -1.0250 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 -1.9330 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7970 -1.5560 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3350 2.4550 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0590 3.3540 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 2.9750 0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2620 0.0490 -1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2700 1.9890 -2.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8330 3.6890 -4.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3230 1.4980 -2.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6820 4.6950 -4.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 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 26 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 2 0 0 0 0 M CHG 1 22 -1 M END