MDPI-ZINC04273442 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 71 0 0 1 0 0 0 0 0999 V2000 0.2590 1.3500 -0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -0.0510 -0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 -0.7320 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 0.0150 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 1.4160 0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 2.0940 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 3.5660 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 4.3060 -0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2760 5.7070 -0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 6.3930 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 5.6500 0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 4.2490 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 6.5410 0.8950 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 6.2770 1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 7.8200 0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 7.7630 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 9.0020 -0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 10.2160 -0.6010 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2220 11.1350 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 10.2010 0.6530 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 9.0500 1.0110 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9490 9.1250 0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 9.2320 2.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 10.7510 2.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 11.2270 1.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 12.3260 1.5350 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2020 10.2780 -1.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4610 10.3390 -1.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 -0.8730 0.6200 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3580 -0.6040 0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0200 -2.1540 0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 -2.1000 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -3.3450 -0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 -4.5290 -0.6090 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5860 -4.3250 -1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -4.5350 0.5330 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7970 -3.3880 0.7460 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6570 -3.4920 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1950 -3.5280 2.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1920 -5.0360 2.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0980 -5.5150 1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -6.5840 1.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -5.8430 -0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -5.8910 -0.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 1.8610 -1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 -0.6030 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3480 1.9610 0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1050 3.7920 -1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0490 6.2550 -1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 3.7050 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 9.2020 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9970 8.8330 -1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 8.7550 2.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 8.8190 3.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 11.1590 2.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 11.0570 3.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -3.5360 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -3.2020 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1660 -3.0740 2.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 -3.0630 2.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1400 -5.4910 2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -5.2940 3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 10.2860 -2.9800 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8940 -6.6950 -1.5740 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 45 1 0 0 0 0 2 3 2 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 47 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 48 1 0 0 0 0 9 10 2 0 0 0 0 9 49 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 26 2 0 0 0 0 27 28 2 0 0 0 0 27 63 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 31 37 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 43 1 0 0 0 0 36 37 1 0 0 0 0 36 41 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 39 59 1 0 0 0 0 39 60 1 0 0 0 0 40 41 1 0 0 0 0 40 61 1 0 0 0 0 40 62 1 0 0 0 0 41 42 2 0 0 0 0 43 44 2 0 0 0 0 43 64 1 0 0 0 0 M CHG 1 63 -1 M CHG 1 64 -1 M END