MDPI-ZINC03850670 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 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 1.2050 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 0.0330 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4270 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.0920 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -0.6880 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 -0.2620 -0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8760 -1.2430 -0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2920 -2.1820 0.3130 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9650 -1.8230 0.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9210 -3.3380 0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5980 -3.8340 2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2200 -4.9730 2.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1630 -5.6200 1.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4870 -5.1280 0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8650 -3.9920 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1800 -1.2540 -0.9120 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1070 0.9520 -1.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4850 1.9800 -0.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8570 0.9290 -2.8490 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -1.7600 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9850 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.1720 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8610 -3.3300 2.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9690 -5.3600 3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6480 -6.5100 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2250 -5.6350 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1150 -3.6110 -0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5080 -0.5290 -1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7700 -1.9860 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 0.1100 -3.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9780 1.7320 -3.3790 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 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 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 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 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 M END