MDPI-ZINC03847891 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 31 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3800 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 0.0340 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4300 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0940 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 -0.6840 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7140 -1.8980 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 0.0090 -0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0810 -0.7620 -0.0590 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0500 -1.5300 0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2640 0.1470 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6380 0.9760 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8130 1.7040 1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6130 1.5990 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2470 0.7710 -1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0640 0.0340 -0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4140 -0.9170 -1.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8520 -1.2400 -2.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2690 -1.3750 -1.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -1.7600 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9890 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 3.1740 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0160 1.0600 2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1060 2.3550 1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5280 2.1700 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8730 0.6920 -1.9380 H 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 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 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M END