MDPI-ZINC03136353 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.0960 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 -0.5480 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6640 -1.9240 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 -2.6640 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2600 -2.0280 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -2.7600 -0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9700 -2.6730 0.0390 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1360 -3.1260 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8990 -3.7720 1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2510 -4.4130 1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3220 -5.6420 1.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5440 -6.2640 2.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7060 -5.6500 1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6300 -4.4250 1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4020 -3.8060 0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3700 -2.4790 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0350 -0.5500 -0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8550 0.2910 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9120 -6.2530 1.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0620 -5.5630 1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6080 -7.4700 2.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 1.1750 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 -3.7430 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -2.9800 0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1780 -4.5290 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5790 -3.3380 2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4190 -6.1160 2.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5310 -3.9480 0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4900 -2.6420 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1900 -1.8580 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9600 0.0110 -0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9000 -0.7960 -1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0480 0.6390 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7260 1.1500 -0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1430 -4.5930 1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9630 -5.4190 0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9560 -6.1510 1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7160 -7.4100 3.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0950 -1.7890 0.3630 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 45 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 45 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 M END