MDPI-ZINC03852622 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 22 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3890 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -0.6910 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0090 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 1.4260 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 2.1030 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5910 2.1290 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7700 1.3920 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7080 -0.0120 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5630 -0.6470 -0.0350 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5590 -2.0630 -0.0420 O 0 5 0 0 0 0 0 0 0 0 0 0 6.0770 2.0800 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 3.2940 -0.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 1.9100 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -0.5480 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -1.7710 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 3.1820 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6090 3.2090 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6260 -0.5810 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2160 1.3600 -0.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0470 1.8550 -0.0660 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 14 1 0 0 0 0 2 3 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 20 21 1 0 0 0 0 M CHG 1 10 1 M CHG 1 11 -1 M END