MDPI-ZINC01643771 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 0 0 0 0 0999 V2000 -0.1090 1.5420 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 0.0310 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -0.6750 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -2.0860 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -2.8240 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -2.1050 -1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -0.6830 -1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 0.0800 -2.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 0.7780 -2.8060 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0180 -2.8330 -2.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -4.3330 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -2.8200 2.4310 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9690 -2.8650 3.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 -3.3430 2.7420 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1520 0.0670 2.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 1.9610 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 1.9210 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 1.9260 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -3.0510 -2.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 -2.2540 -3.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 -3.7700 -2.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 -4.7110 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 -4.7360 -0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -4.7380 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 0.3240 2.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 -0.5160 3.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 0.9820 2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 -0.0460 -3.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 28 2 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 M CHG 1 9 -1 M CHG 1 12 1 M CHG 1 14 -1 M END