MDPI-ZINC02173514 MOE2007 3D CORINA 3.40 0006 02.08.2006 23 24 0 0 0 0 0 0 0 0999 V2000 -0.2080 1.5450 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 0.0400 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -0.7030 1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -0.1110 2.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -0.8760 3.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 -2.2600 3.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 -2.8760 2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -2.1190 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -2.7680 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -2.0390 -1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -0.6380 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 0.0750 -2.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 1.1020 -2.7190 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7790 2.0170 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 1.9190 -0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 1.8780 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 0.9690 2.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -0.3850 4.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -2.8590 4.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -3.9620 2.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -3.8530 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -2.5650 -2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.4330 -3.4420 O 0 0 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 11 2 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 17 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 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 1 0 0 0 0 9 10 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 23 2 0 0 0 0 M CHG 1 13 -1 M END