MDPI-ZINC03849030 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 1 0 0 0 0 0999 V2000 0.5380 1.2260 1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 0.4970 0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -0.4470 0.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 -1.1730 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -1.0250 -1.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 -2.1730 0.2690 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0190 -2.0190 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 -3.5920 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 -3.8190 -1.4020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1320 -3.1220 -1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1760 -3.5880 -2.2240 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6560 -2.2160 -2.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0040 -1.9880 -0.6010 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5380 -0.5650 -0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5990 0.3480 -0.9210 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.7370 -0.4290 -1.1390 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.7680 -0.3130 0.9270 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.0060 -2.9250 -0.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8680 -3.7940 -3.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 -5.1110 -3.9170 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0210 -3.5510 -4.4620 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8580 -2.9100 -4.1020 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.1840 -4.5140 -1.8130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -5.2330 -1.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7560 -6.1000 -0.8320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 -5.5290 -2.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 -6.9110 -2.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -7.0530 -4.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -3.7600 0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -3.0470 0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 -3.2000 1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 -4.0670 2.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 -4.7820 2.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 -4.6260 1.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 -5.3240 2.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 1.9350 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 1.7630 2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 0.5020 2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 1.2210 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.0390 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9600 -4.3140 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4380 -2.0090 -2.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8260 -2.8650 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0190 -4.4250 -2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -7.2070 -1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 -7.5510 -2.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 -8.0910 -4.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -6.7570 -4.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5650 -6.4130 -3.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -2.3690 -0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 -2.6430 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 -4.1850 2.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -5.4590 3.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -6.1840 1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 39 1 0 0 0 0 2 40 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 33 2 0 0 0 0 32 52 1 0 0 0 0 33 34 1 0 0 0 0 33 53 1 0 0 0 0 34 35 1 0 0 0 0 35 54 1 0 0 0 0 M END