MDPI-ZINC03844658 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 1 0 0 0 0 0999 V2000 -0.0970 1.2430 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -0.1340 0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 -0.8080 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 -0.1060 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 1.2700 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 1.9450 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6310 -0.8410 0.0260 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4690 -1.8660 -0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2330 -0.8510 1.4320 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5910 -1.4280 2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6030 -1.4770 1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7270 -0.6760 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9830 -1.2500 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1160 -2.6260 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9930 -3.4270 1.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7360 -2.8520 1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5330 -3.7100 1.5260 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6520 -4.9130 1.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 -3.2120 1.4540 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3370 0.4900 1.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5290 -0.1850 -0.8720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 1.7690 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 -0.6830 0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -1.8840 0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2150 1.8190 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 3.0200 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6230 0.3980 1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8610 -0.6250 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0980 -3.0750 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0970 -4.5010 1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8950 1.0620 1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7190 0.7330 -0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 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 20 31 1 0 0 0 0 21 32 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END