MDPI-ZINC03847536 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 1 0 0 0 0 0999 V2000 0.3420 1.7840 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 0.2700 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -0.3430 1.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 -0.7710 0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -1.2090 -0.7950 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3740 -2.2260 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -0.2650 -1.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0520 -1.0960 -1.6150 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8490 -1.6480 -1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4450 0.3540 -1.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4040 0.8960 -1.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6440 2.2050 -1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6210 3.0430 -0.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6950 4.3570 -1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8120 4.8960 -1.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8480 4.1010 -2.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7570 2.7540 -2.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 1.4760 -2.7620 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8300 -1.6560 -2.9540 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0590 -1.6040 -3.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8420 -2.3370 -5.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.6580 -6.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1670 -2.3300 -7.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4450 -3.6810 -7.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 -4.3600 -6.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -3.6870 -5.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 -0.9710 -3.6340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.0320 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 1.9960 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 2.2440 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 2.1900 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 0.0550 0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -1.6110 1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3160 2.6410 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4490 4.9880 -0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 5.9390 -2.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1610 4.5200 -3.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3140 -0.5650 -3.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8730 -2.0740 -3.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -0.6020 -6.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -1.7990 -8.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2890 -4.2070 -8.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 -5.4160 -6.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 -4.2170 -4.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5470 -1.3060 -4.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 0.4180 -1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 -1.1120 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 0.3810 0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 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 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 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 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 M END