MDPI-ZINC03848615 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 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 3 0 0 0 0 0 0 0 0 0 0 0.0220 -0.6390 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0420 1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.7650 2.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -4.1280 2.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -4.8200 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -4.1440 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7420 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -1.9920 -1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6330 -1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -2.6790 -2.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -3.0370 -2.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 -2.1410 -3.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 -2.4700 -4.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9950 -3.6940 -3.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2220 -4.5910 -2.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -4.2640 -2.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -6.1780 1.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -4.8280 3.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -4.0700 4.7220 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 0.0230 -0.0820 2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -2.2440 3.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -4.6860 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.0510 -2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -2.0090 -3.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -3.5850 -2.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 -1.1840 -3.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0740 -1.7700 -4.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0090 -3.9510 -3.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6320 -5.5470 -2.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -4.9650 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 -6.5840 1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 -3.4300 4.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 -3.4530 4.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 -4.7480 5.5750 H 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 11 2 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 7 8 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 M CHG 1 2 1 M END