MDPI-ZINC03843333 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 30 0 0 1 0 0 0 0 0999 V2000 0.2850 2.3720 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 1.1080 0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -0.1230 -0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 -0.2940 -0.8000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6460 -1.0500 -1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1790 1.0000 -1.2900 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8010 1.1820 -2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 2.2210 -0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7140 0.9510 -1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2860 -0.0880 -0.9900 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -0.8600 0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 -0.2710 1.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -2.1290 0.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4800 -2.6940 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -2.7080 0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4520 -1.4040 0.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9460 -0.8560 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 2.6130 -1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 3.2160 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 0.9590 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 1.2350 0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -1.0150 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 -0.0340 -1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2030 3.1380 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 2.1480 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4630 -2.1540 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 -3.7190 1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5380 -3.3400 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8800 -3.0920 -0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 1.9510 -2.0080 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 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 20 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 30 1 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 15 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 M CHG 1 30 -1 M END