MDPI-ZINC04235701 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -0.7070 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 -0.9400 -1.4230 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1930 -0.3750 -1.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6100 -0.6090 -3.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7640 0.0030 -3.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1410 -0.2270 -5.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3530 -1.0610 -5.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2200 -1.6360 -5.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8860 -1.4050 -4.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 -1.7820 -2.2600 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 -0.1100 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 -1.6640 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7810 0.2680 -1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3540 0.6470 -3.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0290 0.2330 -5.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6200 -1.2600 -6.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6050 -2.2850 -5.9160 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 17 1 0 0 0 0 2 3 2 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 19 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 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 M CHG 1 8 1 M CHG 1 16 -1 M END