MDPI-ZINC03850129 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 1.0500 0.2540 1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 0.4140 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 0.4920 -1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 -0.6760 0.1320 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8250 -0.5400 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 -0.4240 1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3840 0.1480 1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2520 0.3820 2.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8670 0.0480 3.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6140 -0.5160 3.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 -0.7490 2.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -2.1920 0.1160 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3910 -2.4700 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -2.6110 -0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -4.1140 -0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -4.9700 -1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 -4.5870 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 -3.1050 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1140 -2.7010 -0.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 1.8460 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 2.6300 0.9680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 0.9500 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 0.4650 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -0.7530 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 -0.2180 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 0.3010 -2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 1.4790 -1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 0.4270 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2230 0.8310 2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5390 0.2340 4.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 -0.7690 4.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 -1.1800 2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -2.3460 -1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -2.1010 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 -4.3630 -1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -4.3510 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -4.8390 -2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 -6.0300 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 -5.1420 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 -4.8020 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 2.0750 -0.7370 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 20 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 M CHG 1 41 -1 M END