MDPI-ZINC03843538 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 -0.2080 1.6090 -1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 0.0840 -0.9260 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8750 -0.2540 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 -1.7650 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 -2.3040 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 -2.0090 -2.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -0.5020 -2.2570 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2940 -0.0240 -2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -0.2510 -3.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0390 -0.8300 -2.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4930 -0.1640 -1.6900 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4630 0.9290 -1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -0.5080 -0.5860 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3360 -1.5960 -0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 -0.0940 0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3600 -0.6900 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9940 -1.3750 -0.0420 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8990 -0.4860 -1.2980 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4240 0.4730 -1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7700 -1.2660 -2.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9520 -1.7320 -1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5040 -1.5420 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1710 -1.5250 1.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4230 -2.7760 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 2.0070 -1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 1.8810 -1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 2.0250 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 0.2090 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 0.1480 1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7760 -1.9850 1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -2.2400 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 -1.8190 -1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 -3.3810 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 -2.3910 -3.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 -2.5100 -1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 0.8150 -3.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -0.7420 -4.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 -0.6120 -3.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -1.9050 -2.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2630 -0.4140 1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 1.0000 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2440 -1.4080 1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0230 0.1120 1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1350 -0.6040 -3.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2420 -2.1110 -2.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8320 -1.1200 -1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1740 -2.7800 -1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 -3.4200 0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8020 -3.1840 -1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3350 -2.7220 -0.2950 H 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 2 7 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 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 15 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 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 23 2 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 M END