MDPI-ZINC03845323 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 41 0 0 0 0 0 0 0 0999 V2000 -0.0670 1.2980 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.0830 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -0.7060 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 0.0250 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 1.4420 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 2.0450 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 2.1810 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6880 3.6010 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8970 4.2980 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0890 3.5990 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0630 2.2070 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8530 1.4740 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 0.0690 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6780 -0.6560 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7030 -2.0110 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8790 -2.6530 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9090 -4.0450 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1150 -4.7420 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3000 -4.0190 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2850 -2.6220 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0800 -1.9340 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0660 -0.5910 -0.1060 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8850 -4.8740 -0.1740 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6860 -4.0780 0.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5490 -6.2160 0.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 1.8020 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 -0.6760 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -1.7970 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 3.1250 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 4.2050 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 5.3850 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0380 4.1270 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0180 1.6810 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9730 -4.5970 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1230 -5.8290 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2220 -2.0700 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2500 -4.7720 -1.5830 O 0 5 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 22 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 37 1 0 0 0 0 M CHG 1 37 -1 M END