MDPI-ZINC01628189 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 1.3450 3.5050 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 2.4750 -1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 1.2080 -1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5190 0.9570 -0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9790 2.0010 0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 3.2680 0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1420 -0.4200 -0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7570 -0.8990 -1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8700 -0.3600 -2.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5300 -0.7700 -3.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7720 0.1910 -4.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4310 -0.1600 -5.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8610 -1.4710 -5.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6340 -2.4320 -4.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9760 -2.0810 -3.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0140 -2.0690 -2.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -1.7360 -3.1320 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8930 4.4910 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 2.6550 -2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 0.4130 -1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7970 1.8340 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7620 4.0700 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 -0.4340 0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 -1.1200 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3390 0.4820 -1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4370 1.2160 -4.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6050 0.5900 -6.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3690 -1.7460 -6.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9640 -3.4560 -4.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8090 -2.8420 -2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 -3.2120 -1.8550 O 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 18 1 0 0 0 0 2 3 2 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 20 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 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 2 0 0 0 0 M CHG 1 17 -1 M END