MDPI-ZINC03847521 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 1 0 0 0 0 0999 V2000 0.2290 1.5560 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 0.0390 -0.0260 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7150 -0.5570 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -1.1560 2.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -1.5490 3.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 -2.1790 4.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -2.4110 5.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 -2.0390 4.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5290 -1.4270 3.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 -1.1930 2.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 -0.6270 1.4070 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7680 -0.3140 0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6160 -2.2850 5.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 -3.0140 6.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4080 -1.3160 2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 -0.3010 1.3950 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9680 0.7130 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6210 -0.5320 1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0830 -0.1770 0.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -0.6040 -1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9440 -0.3290 -1.5170 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 1.8560 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 1.9730 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 2.0420 0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -2.4620 4.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4780 -1.1480 2.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3080 -2.7170 6.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 -3.2460 6.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 -2.3390 2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7560 -1.1830 3.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -0.2780 0.0270 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9930 0.3190 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 -1.1900 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1950 -1.0210 2.2950 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0860 -1.3490 -1.9370 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 1 0 0 0 0 2 20 1 0 0 0 0 2 31 1 0 0 0 0 3 4 2 0 0 0 0 3 11 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 10 2 0 0 0 0 6 7 2 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 M CHG 1 31 1 M CHG 1 34 -1 M CHG 1 35 -1 M END