MDPI-ZINC01843539 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 26 0 0 1 0 0 0 0 0999 V2000 -0.0700 1.5360 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 0.0190 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -0.4770 1.2500 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7180 -0.0280 1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -1.9920 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1410 -2.5690 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 -3.9580 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -4.7990 1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -4.2290 1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -2.8400 1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 -6.2890 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -0.0590 2.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 0.0290 2.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 1.8860 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 1.8450 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 2.0380 0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 -0.2940 0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 -0.4270 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0240 -1.9370 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 -4.3780 0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -4.8590 1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -2.4180 1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -6.6530 2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -6.7800 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 -6.5830 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 0.1700 3.5100 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 M CHG 1 26 -1 M END