MDPI-ZINC04266222 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 1 0 0 0 0 0999 V2000 -0.0440 1.5970 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 0.0600 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -0.4550 1.2840 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6930 -0.1550 1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 0.0760 2.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 -0.0330 1.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 -0.5850 0.3310 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9500 -2.0280 0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 -3.0440 0.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -1.9550 1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -3.0200 1.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5060 -2.9690 2.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8330 -1.8870 2.7580 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.5210 -0.4430 -0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -0.4720 -1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 1.9880 -0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 1.9060 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 2.1090 0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 -0.5080 3.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 1.1170 2.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3400 -0.7070 2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 0.9470 1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -4.0160 1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2650 -0.9030 -1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4270 -0.9400 -0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7650 0.6080 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6650 -0.1190 -1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 -1.5630 -1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -0.1120 -2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1490 -4.0540 2.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 30 2 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 M CHG 1 13 -1 M END