MDPI-ZINC03844247 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 1 0 0 0 0 0999 V2000 -0.0490 1.2900 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 -0.0880 -0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 -0.6650 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 0.1290 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 1.5160 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 2.0920 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -0.5250 0.0190 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6810 -1.6090 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5450 -0.1670 1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7840 -0.6690 2.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 -0.4240 3.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7300 -0.1500 3.8390 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7880 -0.1780 -1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9740 0.9750 -1.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5060 -1.2720 -1.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -1.0730 -3.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5270 -2.0670 -3.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8700 -3.2600 -3.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5420 -3.4560 -1.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 -2.4640 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 1.7390 -0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 -0.7150 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -1.7430 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 2.1620 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 3.1670 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5510 -0.6060 1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7010 0.9160 1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 -0.1870 2.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6170 -1.7500 2.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5880 -0.1430 -3.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7890 -1.9070 -4.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4010 -4.0330 -3.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8220 -4.3820 -1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6490 -2.6400 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7610 -0.5450 4.9280 O 0 5 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 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 7 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 M CHG 1 35 -1 M END