MDPI-ZINC00061342 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 0 0 0 0 0 0999 V2000 -0.2800 1.5880 0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 0.0970 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 -0.7230 1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 -2.1120 0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 -2.6870 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -1.8830 -1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 -0.4940 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -4.1490 -0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 -4.7460 -1.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -6.1460 -1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -6.8100 -1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 -8.2030 -1.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 -8.9260 -1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 -8.2810 -0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 -6.8880 -0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -10.7290 -1.1480 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 -11.0620 0.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 -10.9630 -1.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -11.2240 -2.4620 N 0 5 0 0 0 0 0 0 0 0 0 0 1.8600 -10.9640 -2.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 1.9030 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 2.0890 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 1.9230 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -0.2810 1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -2.7290 1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 -2.3310 -1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 0.1240 -1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 -4.7230 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -6.2360 -2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 -8.7160 -2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 -8.8530 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 -6.3740 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 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 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 9 10 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 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 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 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 M CHG 1 19 -1 M END