MDPI-ZINC03848603 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 0.1050 1.1860 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 1.1270 2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 1.4750 3.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0050 1.7970 3.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6010 2.1840 4.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 2.1800 6.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 1.7990 6.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 1.4550 4.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.0900 4.8560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 1.7330 7.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 2.0330 8.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8050 1.8100 2.3220 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9360 2.8710 2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 1.1360 1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2000 1.1470 2.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0970 1.3530 1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8520 2.5280 1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7000 2.7250 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8090 1.7530 -0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0620 0.5820 -0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2100 0.4000 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4570 -0.7460 0.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0590 -0.4540 -1.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9700 -0.3510 -2.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 0.0950 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 1.5790 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 1.6240 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 1.6140 2.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 0.0410 2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6380 2.5100 4.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 2.4820 6.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 1.1480 5.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 3.0720 8.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 1.3370 8.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 1.9090 9.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 0.0430 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 1.4140 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0880 0.0750 2.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7430 1.5410 3.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7980 3.2980 1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2850 3.6390 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4810 1.9460 -1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7520 -1.2760 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0050 -0.2920 -2.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7200 0.5000 -3.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8750 -1.2610 -3.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 1.5970 1.1340 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6080 2.6250 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 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 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END