MDPI-ZINC03844227 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7090 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.0220 2.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -0.7220 3.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -2.1050 3.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -2.7920 2.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -2.0980 1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6970 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -1.0250 -1.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 -1.7100 -3.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -2.0690 -3.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -1.7450 -3.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -1.0640 -1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4240 -0.7410 -1.1860 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4870 -0.1320 -1.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4660 0.0100 -0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9920 -0.5300 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7420 -0.9880 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 1.0580 2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -0.1890 4.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -2.6500 4.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -3.8720 2.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -2.6350 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -0.7460 -1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 -1.9640 -3.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -2.6030 -4.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 -2.0270 -3.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 0.1820 -2.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4360 0.4560 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5310 -0.5740 1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 -1.4640 0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 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 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 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 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 M END