MDPI-ZINC03846512 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 51 0 0 1 0 0 0 0 0999 V2000 2.5340 -0.3700 0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 -0.9140 0.4920 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -0.7550 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -0.0850 2.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 0.0710 3.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 -0.4350 2.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 -1.0960 1.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 -1.2660 0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 -1.9730 -0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.1150 -1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 -1.5510 -0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 -1.6650 -1.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.8120 -2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -2.0890 -3.5240 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 -2.1070 -4.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 -0.8320 -5.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 -0.6830 -6.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 -1.8000 -7.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 -3.0480 -7.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 -3.2240 -5.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -4.8650 -5.1420 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 -4.9950 -3.4830 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6820 -4.5720 -3.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -4.2920 -2.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 -6.4540 -3.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 -7.0960 -2.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 -8.4370 -2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 -8.8840 -2.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -7.5710 -3.0610 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3280 -2.4740 -0.9590 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0390 -1.1230 1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1710 -0.0930 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 0.5110 1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 0.3120 2.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 0.5920 4.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0800 -0.3050 3.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2050 -1.4880 1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 0.0460 -4.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.3030 -7.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 -1.6910 -8.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 -3.9140 -7.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -4.5510 -2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -4.6320 -1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 -6.6070 -2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 -9.0740 -2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 -9.8980 -2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0820 -2.3200 -0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 11 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 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 30 47 1 0 0 0 0 M END