MDPI-ZINC03843410 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 33 0 0 1 0 0 0 0 0999 V2000 0.6500 0.8850 1.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -0.4640 1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6390 -0.6030 2.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -1.5590 2.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 -1.4190 2.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 -0.6220 -0.1200 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2040 -0.2700 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 -2.1090 -0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -2.7910 -0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -4.1440 -1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3050 -4.8350 -1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 -4.1730 -0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 -2.8200 -0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 0.2110 -0.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 0.0540 -2.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 -0.1650 -2.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 1.7180 -0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 2.2440 -0.8520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 1.7170 1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 1.1080 1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 0.8740 3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.5290 3.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 -1.5720 1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 0.1810 1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -2.5480 2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 -2.2610 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -4.6510 -1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -5.8840 -1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4410 -4.7050 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -2.3250 -0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2530 -0.1000 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3060 0.0890 -3.0120 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2160 2.2770 -0.3170 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 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 30 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 M CHG 1 32 -1 M CHG 1 33 -1 M END