MDPI-ZINC03844262 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.3020 0.8770 -0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -0.4950 -0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 -1.0000 -0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 -0.1440 -0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 1.2390 -0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 1.7420 -0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6450 -0.7550 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7590 0.3220 0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1580 -0.2810 0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4930 -1.3290 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 -1.9030 -1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0740 -1.5890 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8590 -1.6890 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0100 -1.9770 -0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3910 -2.2990 -1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6100 -3.3280 -1.9390 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5220 -1.5670 1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 -0.9410 2.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 -1.6310 3.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 -2.9640 3.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7850 -3.6030 2.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9090 -2.9130 1.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 1.2710 -1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 -1.1760 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 -2.0780 -0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8350 1.9590 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 2.8150 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8070 0.9750 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5370 0.9780 1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8890 0.5370 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2480 -0.7160 1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8200 -2.6330 -2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5100 -2.5290 -1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 -1.0340 -2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6890 0.1000 2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 -1.1250 4.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1730 -3.5020 4.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1010 -4.6410 2.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3260 -3.4590 0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2630 -1.5200 -0.7370 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 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 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 3 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 40 2 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 M CHG 1 16 -1 M END