MDPI-ZINC03845657 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 0 0 0 0 0999 V2000 -0.0290 1.3860 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -0.0120 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 -0.6900 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4410 0.0920 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 1.4880 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 2.1250 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 3.9300 0.0800 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 4.3100 -0.6980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2020 4.2050 -0.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 -0.4620 -0.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 -2.1680 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -2.8680 -1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 -4.2670 -1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 -4.9830 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 -4.3230 1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -2.9270 1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 -2.3500 2.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -6.7890 -0.1080 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -7.1550 1.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -7.0990 -0.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 1.8900 0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 -0.5760 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3110 2.0690 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -1.4250 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -2.3230 -1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 -4.7890 -2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2030 -4.8870 1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 -1.3900 2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 4.2240 1.5080 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6630 -7.0650 -0.6600 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 29 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 17 28 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 30 1 0 0 0 0 M CHG 1 29 -1 M CHG 1 30 -1 M END