MDPI-ZINC03845872 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 1.5360 -0.1680 -0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 0.0700 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 -0.2660 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 -0.7200 1.5580 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0790 -1.7840 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -0.6020 2.8480 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8590 -1.3220 4.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -1.6790 5.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 -2.4100 4.7070 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0210 -2.4340 5.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 -1.6800 3.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 -1.2390 2.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8290 -0.4840 4.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0170 -2.5960 2.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -3.8830 4.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 -4.1630 3.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 0.8830 3.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 -0.2940 1.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9700 -0.8490 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5910 -1.2310 -1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 0.3800 -1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 0.1800 -0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 1.1440 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 -1.3460 -0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 0.1040 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 0.2080 -1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 -2.2500 3.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 -0.7130 4.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 -2.2860 5.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 -0.7650 5.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 0.1450 4.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1600 0.1580 3.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7130 -0.8230 4.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 -3.0510 3.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5890 -2.0290 2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 -3.3910 2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 1.3520 2.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 1.0240 4.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.4450 3.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -4.6490 5.4530 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 M CHG 1 40 -1 M END