MDPI-ZINC03844673 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -0.7070 -0.0370 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5270 -1.7810 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 -0.3320 1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7800 -1.1580 1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9330 -0.6960 0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0880 -1.4540 0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0900 -2.6740 1.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9370 -3.1360 1.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7830 -2.3760 1.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3270 -3.4860 1.3890 N 0 3 0 0 0 0 0 0 0 0 0 0 10.3420 -3.0800 0.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3280 -4.5610 1.9630 O 0 5 0 0 0 0 0 0 0 0 0 0 4.4670 -0.3360 -1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -0.0490 -2.1760 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7810 0.7260 1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -0.5250 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9310 0.2560 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9890 -1.0940 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9380 -4.0890 2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -2.7340 2.3870 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 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 23 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 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 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 19 20 3 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END