MDPI-ZINC03850922 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 32 0 0 0 0 0 0 0 0999 V2000 0.2550 1.6190 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 0.1030 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -0.6780 1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 -0.3040 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 -0.1140 0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1290 0.4260 1.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 -0.2580 -1.1460 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 -0.1090 -1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0490 0.4150 -0.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -0.6170 -2.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8820 0.0630 -3.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4190 -0.3840 -4.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8780 -1.5230 -5.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8160 -2.2190 -4.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 -1.7650 -3.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4330 -1.9970 -6.2920 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3590 -1.3450 -6.7950 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9430 -3.0200 -6.7900 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2920 1.9360 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 2.1770 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 1.9410 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -0.4620 2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -1.7590 1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 -0.4350 1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 0.2180 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 -1.3750 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 -0.6300 -1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2980 0.9470 -2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2490 0.1620 -4.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 -3.1120 -4.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4850 -2.3350 -2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5630 -0.5360 0.4320 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 8 10 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 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M CHG 1 32 -1 M END