MDPI-ZINC03843448 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 34 0 0 0 0 0 0 0 0999 V2000 0.5500 2.2550 1.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 0.9060 1.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 -0.0690 1.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 0.3010 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7630 1.6460 0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 2.6120 1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 3.9430 1.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1320 2.0340 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1790 2.5700 -1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1540 3.9460 -1.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2950 4.4430 -2.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4320 3.5700 -3.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 2.1910 -3.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3010 1.7060 -2.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3170 0.3550 -2.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5780 4.0920 -5.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5730 5.3530 -5.3630 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9840 4.8770 -0.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 -0.6820 0.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 0.5140 2.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 1.4590 2.6330 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1770 3.0170 1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 -1.1180 1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 4.4530 1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5680 2.7710 0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8320 1.1920 0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2860 5.5180 -2.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5310 1.5030 -4.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 -0.0930 -2.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3530 4.4830 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -1.5140 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 3.2260 -6.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 -0.7280 2.4890 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 20 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 19 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 32 2 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 20 33 2 0 0 0 0 M CHG 1 17 -1 M CHG 1 21 -1 M END