MDPI-ZINC03851574 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 21 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 -0.5860 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6010 -1.9220 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -3.0360 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 -4.1320 -0.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 -3.0500 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 -1.9730 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 -0.6150 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 0.3170 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -4.2750 -0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 0.1030 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 -2.1420 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 -2.2170 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7190 0.5480 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2480 -0.1610 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 1.2380 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 -5.0080 -0.0190 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 2 9 2 0 0 0 0 3 4 2 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 M END