MDPI-ZINC03845344 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3840 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 1.1860 -0.6850 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0190 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 1.4260 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 2.0990 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 1.8310 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0190 2.7460 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4660 0.6950 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6880 -0.3650 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9320 0.6670 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5830 -0.5110 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0560 -0.5390 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7800 0.6580 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1590 0.6280 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8300 -0.5810 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1200 -1.7760 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7340 -1.7600 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8030 -2.9950 -0.1150 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7730 -3.0070 -0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3080 -3.8290 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5510 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 -1.7650 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 3.1790 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4900 1.5920 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0260 -1.4360 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2600 1.6040 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7170 1.5530 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9100 -0.5970 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1800 -2.6870 -0.0780 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 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 7 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 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 M END