MDPI-ZINC03850376 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 37 0 0 1 0 0 0 0 0999 V2000 0.0260 1.4730 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 0.0260 -0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 -0.4140 -1.4310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -0.7100 0.4260 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -2.1340 0.2560 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3330 -2.6320 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4840 -2.3370 -0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4150 -1.9710 -2.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -2.7440 -2.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 -2.4550 -4.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 -1.3810 -4.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 -0.5860 -3.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1610 -0.8870 -2.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8990 0.4080 -4.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5020 1.3600 -3.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -1.2040 -6.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 -0.0970 -6.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 0.6790 -5.9950 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 -0.0020 -8.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 -2.8070 1.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7680 -1.9930 2.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 1.9120 -0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 2.0090 -0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 1.5740 1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 -0.3090 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 -3.3860 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2940 -1.7640 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 -3.5860 -2.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 -3.0710 -4.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7560 -0.3100 -1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7600 1.8310 -2.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9430 2.1450 -4.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3090 0.9030 -3.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0890 0.0870 -8.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5210 0.8900 -8.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 -0.8820 -8.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 -4.0670 1.6500 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 M CHG 1 37 -1 M END