MDPI-ZINC03844671 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 1 0 0 0 0 0999 V2000 -0.0860 1.1020 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -0.2800 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -0.8210 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.0150 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 1.4050 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 1.9450 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 -0.5940 -0.1990 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7940 -1.6890 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7370 -0.1630 1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9390 -1.0570 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1640 -0.7560 0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -1.5890 0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1460 -2.7340 1.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9290 -3.0510 2.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8290 -2.2110 2.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3020 -3.6130 1.7770 N 0 3 0 0 0 0 0 0 0 0 0 0 10.3670 -3.2940 1.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1510 -4.6250 2.4770 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5310 -0.2300 -1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2110 0.8360 -1.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 1.5220 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 -0.9390 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 -1.9020 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 2.0760 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 3.0220 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0720 0.8790 0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1260 -0.1940 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2540 0.1270 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2040 -1.3320 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8140 -3.9390 2.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8810 -2.4620 2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3080 -1.0600 -2.4880 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 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 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M CHG 1 32 -1 M END