MDPI-ZINC03846464 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 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 0.1300 -0.7160 1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -2.1170 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -2.8460 2.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -4.2440 2.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 -4.9020 3.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 -4.1930 4.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 -2.8150 4.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -2.1210 3.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 -0.7410 3.6390 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 -0.0320 2.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 1.1840 2.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -0.0250 4.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -2.7560 -0.0250 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -2.0000 -1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 -2.6050 -2.3360 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 -0.6570 -1.1310 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -4.1100 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -5.2440 -0.1420 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 1.8760 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 1.8700 -1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 1.8510 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -4.8020 1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 -5.9820 3.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -4.7260 5.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -2.2740 5.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 0.1670 5.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 0.9220 4.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -0.6310 5.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -2.0840 -3.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 18 2 0 0 0 0 3 4 2 0 0 0 0 3 12 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 24 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 31 1 0 0 0 0 19 20 3 0 0 0 0 M END