MDPI-ZINC03850097 MOE2007 3D CORINA 3.40 0006 02.08.2006 24 24 0 0 0 0 0 0 0 0999 V2000 -0.0060 1.3180 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 -0.0890 -0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -0.5910 -1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4770 0.1520 -1.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 -0.4930 -2.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1150 -1.8860 -3.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 -2.6540 -2.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -1.9820 -1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 -4.1470 -2.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -4.6390 -3.5370 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9460 -2.4950 -4.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0260 -3.0250 -3.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 -2.2760 -5.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0400 -2.8810 -6.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.6510 0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 1.8540 -0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 1.5520 1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 1.2310 -1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 0.0920 -3.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -2.5600 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0220 -2.4170 -6.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1400 -3.9600 -6.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -2.7150 -7.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 -4.7950 -1.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 24 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 M CHG 1 10 -1 M END