MDPI-ZINC04204366 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 63 0 0 1 0 0 0 0 0999 V2000 3.8760 -1.0230 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 -0.9620 -0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9110 -2.0590 -1.9500 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -1.9690 -1.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -2.8780 -3.0660 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5370 -2.8980 -3.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -2.3430 -4.4310 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7340 -2.6530 -5.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -2.9020 -4.7820 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0630 -2.6850 -3.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 -2.2500 -6.0720 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0220 -1.1840 -5.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -2.8960 -6.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7260 -2.2000 -7.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8910 -2.6470 -8.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 -3.5890 -7.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5080 -1.9740 -9.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -2.4370 -7.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 -1.4870 -8.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 -0.5310 -8.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 -1.6140 -9.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -4.3380 -4.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 -5.0990 -4.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 -4.5870 -3.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1580 -6.5930 -4.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -0.8930 -4.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 -0.2270 -4.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -0.8360 -4.8420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 1.2790 -4.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -4.2230 -2.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7190 -5.2370 -3.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 -5.0080 -3.8340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -6.6600 -3.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -2.5100 -0.3570 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -1.8260 -0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9580 -2.3040 0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1660 -2.0460 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3900 -0.7030 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1470 -0.3640 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 -1.2830 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 0.0600 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -0.9410 -2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9020 -2.8340 -5.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0190 -3.9430 -6.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7040 -0.9270 -9.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4430 -2.4710 -9.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8210 -2.0360 -10.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -2.5340 -9.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -0.7600 -9.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -1.6390 -10.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 -6.8660 -5.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 -6.9050 -4.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9280 -7.0880 -3.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 1.6650 -5.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 1.6270 -4.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 1.6350 -3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -6.6670 -2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -7.1580 -2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -7.1870 -3.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1740 -0.7370 -0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7640 -2.1620 -1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 -1.9670 1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9670 -1.8920 0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0090 -3.3920 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 40 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 M END