MDPI-ZINC04701668 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 1 0 0 0 0 0999 V2000 -0.0520 1.5520 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 0.0120 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 -0.5160 1.2560 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3620 0.0310 2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -2.0480 1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -2.5970 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 -1.3220 -0.3470 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8960 -1.4750 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1220 -0.4260 0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 -0.6000 -1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -0.4850 -2.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5940 -1.0950 -3.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -2.1310 -3.2150 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5200 -0.4650 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 1.9690 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.9280 -0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 1.9680 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 -2.3670 2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 -2.4100 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 -3.2490 0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 -3.1760 -0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 0.5830 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -0.8560 1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 0.1050 -2.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0240 0.0260 -1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5930 -1.5420 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 -0.2340 0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -0.4810 -4.6230 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 2 10 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 28 2 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 M CHG 1 13 -1 M END