MDPI-ZINC03852446 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 35 0 0 0 0 0 0 0 0999 V2000 -0.0500 1.3190 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 1.0970 -1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8340 0.4420 -1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 0.0030 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 0.2300 1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 0.8860 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 -0.7020 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8400 -0.3240 -0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8150 -1.2180 -0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -2.1340 0.3620 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9810 -1.7870 0.6330 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -3.2300 0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3610 -4.0930 1.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0440 -5.1740 2.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3630 -5.3960 1.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0020 -4.5390 1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3230 -3.4600 0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0920 -6.5550 2.5100 N 0 3 0 0 0 0 0 0 0 0 0 0 7.5300 -7.3110 3.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2530 -6.7530 2.2020 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9560 0.8450 -1.6790 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9670 1.0070 -2.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0410 1.6450 -1.7600 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9980 1.8360 -0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 1.4370 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 0.2690 -2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1310 -0.1080 2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 1.0620 2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8180 -1.2060 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3320 -3.9200 2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5480 -5.8450 2.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0320 -4.7150 0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8220 -2.7930 -0.1480 H 0 0 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 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 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M CHG 1 21 1 M CHG 1 23 -1 M END