MDPI-ZINC04235291 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 34 0 0 0 0 0 0 0 0999 V2000 0.2270 1.7050 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 0.3630 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 -0.6420 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 -0.2990 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 1.0340 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 2.0450 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 3.4610 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2380 3.7790 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6220 5.1260 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9280 5.4550 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2610 6.6250 0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 4.4890 0.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9020 1.3730 -0.1270 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 -1.9820 0.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -0.0010 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9320 -1.2460 0.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2880 -1.5930 0.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6580 -2.8860 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8350 -3.1870 0.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 -3.8450 -0.1590 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 2.4790 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9260 -1.0730 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 4.2360 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9480 5.8220 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5980 3.5560 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8040 4.7260 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5710 0.6790 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 2.3020 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 -2.2230 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 -2.6740 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 0.7670 0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9600 -0.9030 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 -3.6040 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9890 -4.7750 -0.2270 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 14 1 0 0 0 0 4 5 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 M END