MDPI-ZINC03848308 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 22 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.6370 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -0.0210 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 -1.0720 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7380 -2.3980 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -2.1040 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 -3.1520 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 -4.4580 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -4.7370 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1710 -3.7040 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 1.0480 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 -0.9830 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0840 -0.9740 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 -2.9400 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 -5.2680 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5890 -5.7620 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2280 -3.9230 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 M END