MDPI-ZINC03844927 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 34 0 0 1 0 0 0 0 0999 V2000 -0.0570 1.4490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 0.0590 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -0.6280 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 0.0550 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 1.4400 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 2.1440 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 3.6460 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 4.1640 0.8790 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5360 5.2300 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6790 3.4670 0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7640 4.0460 0.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 2.1350 0.0980 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2650 4.0860 2.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 4.6950 2.8520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -2.0190 -0.3960 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -2.7670 -0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -3.9980 -0.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 -2.0120 -0.9590 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0790 -2.6600 -0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -0.7160 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 -1.7550 -2.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 -1.1650 -2.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 1.9900 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 -0.4850 -0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 4.0250 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 4.0120 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4430 1.6550 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0180 -2.5370 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 -0.9530 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 -0.0870 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1640 3.4830 3.0450 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4820 -2.1900 -3.2160 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 20 29 1 0 0 0 0 20 30 1 0 0 0 0 21 22 2 0 0 0 0 21 32 1 0 0 0 0 M CHG 1 31 -1 M CHG 1 32 -1 M END