MDPI-ZINC03847427 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.8190 0.8040 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 0.7750 2.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 1.3230 3.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 2.8270 3.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9990 3.4860 4.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 4.8660 4.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 5.5950 3.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 4.9340 2.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 3.5490 2.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 2.8760 1.3410 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2980 2.8620 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 3.6610 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6880 3.5420 -2.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 2.7650 -3.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 2.9310 -3.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 2.4390 -2.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 3.2250 -1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 6.9520 3.9110 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2940 5.5070 6.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7260 4.6920 7.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 -0.2640 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 0.9660 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 1.1930 -0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 0.9250 2.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -0.2880 2.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 1.0240 3.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 0.9180 4.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 2.9180 5.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 5.4980 1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 3.6570 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 4.6880 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 4.6000 -2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 3.4140 -2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 1.7090 -3.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 3.1530 -4.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 2.3440 -4.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 3.9820 -3.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 1.3780 -2.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 2.5940 -2.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 2.8680 -0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 4.2850 -1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 7.2930 4.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9800 5.3280 8.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 4.1180 6.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 4.0110 7.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 1.5010 1.2960 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 3.0340 -1.0990 N 0 0 0 0 0 0 0 0 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 1 46 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 7 8 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 46 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 47 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 M END