MDPI-ZINC03850697 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 -0.0140 1.5230 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -0.0060 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3700 -0.5120 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6040 -1.8700 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 -2.3450 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 -3.7230 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 -4.5650 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 -4.0130 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -4.9680 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 -4.5530 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -5.4710 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 -6.8010 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 -7.2220 -0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -6.3130 -0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -6.7240 -0.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 -6.0310 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 -6.6000 0.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0510 -1.4010 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8520 -0.2050 0.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2990 -1.8630 0.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3560 -0.8740 0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 1.8990 0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 1.8920 -0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 1.8680 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 -0.3520 -0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 -0.3750 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 0.1090 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1650 -4.1200 0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -3.5180 0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -5.1530 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -7.5130 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 -8.2610 -0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3080 -1.3790 0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1420 -0.2120 1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4130 -0.2910 -0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 -2.7050 -0.0980 N 0 0 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 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 36 2 0 0 0 0 5 6 2 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 36 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 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 M END