MDPI-ZINC03845521 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 0 0 0 0 0 0999 V2000 1.1790 1.5310 1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 0.1410 1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 -0.6750 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 -0.0920 -1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 1.3050 -1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.1200 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 1.9250 -2.4170 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9350 1.1770 -3.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 3.1630 -2.4680 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2080 -2.1300 0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -2.8410 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -2.2240 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7050 -1.9930 -1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9380 -1.3730 -1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7210 -0.9770 -0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2590 -1.2090 1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 -1.8300 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0780 -0.7930 2.1430 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.1930 -0.3040 1.9060 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6150 -0.9500 3.2820 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0790 -4.3830 0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -4.9150 0.6520 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0440 2.1540 2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 -0.3070 2.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 -0.7320 -1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 3.2040 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1590 -2.6340 0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 -2.3010 -2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2860 -1.2030 -2.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6780 -0.4970 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6630 -2.0200 2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 -4.9440 0.6290 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 21 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 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 32 2 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 18 1 M CHG 1 20 -1 M CHG 1 22 -1 M END