MDPI-ZINC03847299 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 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 0.6260 -0.6190 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 0.1510 2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -0.4340 3.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 -1.8310 3.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5550 -2.4860 4.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 -3.8470 4.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 -4.5660 3.2980 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 -4.0240 2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -2.6270 2.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -1.9990 1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -2.7410 0.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1980 -1.6970 5.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 -1.3490 6.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9270 -2.2080 7.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -1.8930 8.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -0.7150 8.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 0.1490 7.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4480 -0.1690 6.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 1.3070 7.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 -0.4040 9.2430 O 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 1.1560 1.2290 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2870 0.1770 3.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 -4.3560 5.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 -4.6510 1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -2.9470 -0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -2.2930 5.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6270 -0.7810 4.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 -3.1270 7.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 -2.5660 9.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 0.5020 5.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 2.0600 7.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 0.1040 9.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 12 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 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 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 M END