MDPI-ZINC03845882 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 0.6450 1.7620 -0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 0.2360 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -0.1250 1.0600 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0540 0.6420 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8390 -0.1260 0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 -0.9300 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5570 -0.5540 -1.6070 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1460 -0.4370 -1.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1490 0.7400 -2.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7450 -1.7290 -2.6380 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2210 -2.6070 -2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 -1.5010 -4.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -1.1060 -4.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 -0.9860 -5.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -2.2520 -6.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 -2.6240 -6.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 -2.7660 -4.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1430 -2.0600 -2.7140 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1990 -3.0280 -2.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -1.4700 1.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -2.4780 0.9680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 -0.1490 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 2.1850 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 2.0140 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 2.2830 0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 0.9050 0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3210 -0.5300 1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3790 -0.8140 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1320 -1.9920 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 0.5660 -2.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 1.1690 -2.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 1.5120 -1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 -0.6970 -4.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -1.8450 -3.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -0.1370 -3.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 -0.7680 -5.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -0.1360 -6.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -3.0760 -6.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -2.1050 -7.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 -3.5640 -6.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 -1.8560 -6.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 -2.9890 -4.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 -3.6310 -4.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 0.2230 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -1.2340 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 0.2600 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -1.3990 2.9740 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 20 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 20 21 2 0 0 0 0 20 47 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 M CHG 1 47 -1 M END