MDPI-ZINC03845219 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 0 0 0 0 0999 V2000 0.0710 1.3700 0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 0.0060 0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 -0.6860 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 0.0200 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.3840 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 2.0770 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 3.5460 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 4.2140 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 5.6760 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 6.2890 -0.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5390 -0.7120 -0.9110 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6500 -0.2610 -0.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4160 -1.7650 -1.5100 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2680 -2.1560 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -2.8500 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -4.3120 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -4.9010 0.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 1.9040 0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -0.5390 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1620 1.9290 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 4.0910 -0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 3.6690 0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 -2.6790 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 -2.3270 0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 6.3430 0.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 -5.0060 0.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -5.9700 0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 7.3080 0.6270 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 18 1 0 0 0 0 2 3 2 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 14 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M END