MDPI-ZINC04265587 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 0 0 0 0 0 0999 V2000 0.0120 1.4200 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 0.1660 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 -0.4160 -0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 0.2440 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 1.5100 0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 2.0940 0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7780 -0.3560 -0.3390 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -0.4810 0.7250 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7080 -0.9980 0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -2.3790 0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1380 -2.9210 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -2.1000 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5390 -2.6610 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6670 -1.8410 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5600 -0.4640 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3010 0.0980 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1310 -0.6960 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8340 -0.1480 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6630 1.2440 0.5580 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5020 1.8050 -0.5490 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3490 3.1970 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3050 3.8350 -1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.2200 -1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0220 5.9710 -0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0790 5.3600 0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2390 3.9770 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 7.7670 -0.1520 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2370 8.2220 -0.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1540 8.0890 -1.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2890 -2.5930 -0.5300 S 0 0 0 0 0 0 0 0 0 0 0 0 13.2030 -1.6080 0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1810 -3.8400 0.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 1.8750 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 -0.3570 -0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -1.3910 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3120 2.0440 0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 3.0740 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0120 -3.0360 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2320 -4.0000 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6600 -3.7370 -0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4430 0.1680 -0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2390 1.1790 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6190 3.2480 -1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3240 5.7050 -1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 5.9540 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0690 3.5040 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0710 7.9400 1.0700 O 0 5 0 0 0 0 0 0 0 0 0 0 12.3440 -2.7340 -1.9810 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 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 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 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 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 40 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 29 2 0 0 0 0 27 47 1 0 0 0 0 30 31 2 0 0 0 0 30 32 2 0 0 0 0 30 48 1 0 0 0 0 M CHG 1 47 -1 M CHG 1 48 -1 M END