MDPI-ZINC03844999 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 34 0 0 0 0 0 0 0 0999 V2000 -0.1500 1.4880 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -0.0110 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -0.5860 1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -1.9760 1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -2.7730 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -2.1840 -1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -0.8070 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 -0.1820 -2.5830 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0310 -0.7150 -3.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 0.8640 -2.8450 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1870 -4.2460 0.2070 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7710 -4.8900 -0.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 -4.8150 1.1540 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3490 -2.5980 2.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -1.8820 3.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -2.5040 5.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -1.7630 6.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 -2.3520 7.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -3.6730 7.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -4.4140 6.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -3.8400 5.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 1.8920 -0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 1.7430 -1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 1.9130 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 0.0370 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -2.7990 -2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -3.6290 2.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -0.8510 3.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -0.7320 6.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -1.7800 8.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -4.1290 8.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 -5.4440 6.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -4.4200 4.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 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 25 1 0 0 0 0 4 5 1 0 0 0 0 4 14 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 26 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 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 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M CHG 1 11 1 M CHG 1 13 -1 M END