MDPI-ZINC03846876 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 0 0 0 0 0 0999 V2000 0.3110 1.3030 -0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 0.0590 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 -0.2490 -1.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3550 0.7180 -2.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 1.9620 -1.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 2.2710 -0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 3.6110 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3270 4.2470 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6110 3.5310 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7730 4.1900 -0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9660 3.5260 -0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0270 2.1860 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8650 1.5280 0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6740 2.1930 0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2180 1.5220 0.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2750 0.2880 0.4290 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4500 -0.3660 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4690 -1.6020 0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7070 -2.4540 0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8050 -1.7840 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9400 -0.2800 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6310 0.3540 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5420 -2.4170 -0.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3110 -2.1230 1.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 -1.4920 -2.5190 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 -1.7760 -3.3530 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 -3.0180 -3.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 -3.9870 -3.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 -5.2400 -4.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 -5.5480 -5.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5570 -4.5940 -5.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 -3.3290 -4.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4200 -2.3930 -5.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 -6.7860 -5.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 1.5420 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -0.6870 -0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1440 0.4800 -2.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0270 2.7080 -1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 4.0850 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 5.2820 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7260 5.2230 -0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8620 4.0340 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9130 0.4940 0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7790 1.6860 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0200 -2.5590 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1160 -0.0250 1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7680 0.0760 -0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5850 0.3080 -1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6030 1.3970 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4980 -3.4370 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5400 -1.5570 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -3.7530 -2.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -5.9880 -3.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3440 -4.8390 -6.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2010 -2.3940 -4.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 -6.8720 -6.4250 H 0 0 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 35 1 0 0 0 0 2 3 2 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 23 2 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 31 2 0 0 0 0 30 34 1 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 33 55 1 0 0 0 0 34 56 1 0 0 0 0 M END