MDPI-ZINC03850591 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 1 0 0 0 0 0999 V2000 -0.8380 2.2250 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 1.5380 1.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 0.5380 1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 -0.1710 2.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 -1.1880 1.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0850 -1.4990 0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4090 -0.7940 -0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5480 0.2270 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0280 -2.6090 0.0780 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4550 -3.4990 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9420 -2.9180 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9150 -4.1710 1.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7520 -4.4570 2.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6200 -3.4860 3.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6440 -2.2300 2.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8020 -1.9470 1.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4440 -3.7660 4.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8500 -2.1780 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1280 -0.8420 -1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8830 -0.4440 -2.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3630 -1.3830 -3.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0920 -2.7220 -3.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3260 -3.1300 -2.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0260 -4.5620 -1.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2700 -4.9040 -0.9230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 2.9970 0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 1.5170 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 2.6850 -0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8850 0.0710 3.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4250 -1.7400 2.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5570 -1.0400 -1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 0.7810 -0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2400 -4.9260 1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7310 -5.4360 3.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3190 -1.4730 3.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8170 -0.9680 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0620 -3.5700 5.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7570 -0.1040 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0980 0.6030 -2.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9520 -1.0660 -4.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4680 -3.4540 -3.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5920 -5.4880 -2.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3650 -6.4130 -2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 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 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 42 43 1 0 0 0 0 M END