MDPI-ZINC01764869 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 1 0 0 0 0 0999 V2000 0.1430 1.6620 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 0.1360 -0.0450 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5280 -0.2980 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 -0.4060 1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 -0.1390 1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 -0.7990 2.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 -1.3940 3.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 -0.3150 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1930 -0.0500 -1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 -0.8040 -2.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -0.5600 -3.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5770 0.4400 -3.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 1.1950 -2.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1730 0.9510 -1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 1.9820 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 2.0430 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 2.1490 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 0.0250 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -1.4900 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6930 -0.4910 0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 0.9380 1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 -1.3950 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9730 0.1620 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 -1.5880 -2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 -1.1510 -4.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1130 0.6300 -4.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6160 1.9750 -2.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4010 1.5500 -0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2480 -0.6570 2.3660 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 8 23 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 24 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 M CHG 1 29 -1 M END