MDPI-ZINC04261436 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 1 0 0 0 0 0999 V2000 0.0500 0.1180 0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 0.0400 -0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 0.4700 -0.7130 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4240 0.2770 -2.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6460 -0.6290 -1.8440 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3460 -1.5560 -1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2390 -0.9460 -3.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3290 -1.8570 -3.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6250 0.0360 -1.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 -0.5210 -1.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 0.3170 -2.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -0.2940 -3.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 0.5000 -4.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -0.0850 -5.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9290 -1.4640 -5.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 -2.2660 -4.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 -1.6910 -3.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -2.4880 -2.7710 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 -1.9640 -1.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -2.7030 -0.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -3.8760 -2.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 -4.5080 -2.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 -5.8770 -2.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 -6.6190 -2.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -5.9920 -3.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 -4.6240 -3.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 1.6560 -2.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -0.7590 1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 0.1480 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 1.0190 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7390 1.2420 -2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 -0.1870 -2.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5960 -0.0250 -3.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 -1.3960 -3.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7550 -2.1020 -3.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9380 0.8710 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 1.5740 -4.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 0.5290 -6.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -1.9130 -6.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -3.3370 -4.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7710 -3.9290 -1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0640 -6.3690 -1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 -7.6890 -3.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -6.5750 -4.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -4.1360 -4.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 1.9580 -1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 M END