MDPI-ZINC03846282 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 50 0 0 1 0 0 0 0 0999 V2000 1.4110 2.6650 0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 1.2090 1.3970 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2960 1.0580 1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 0.8860 2.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7420 1.0980 1.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8880 0.1750 0.5680 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7920 -0.8630 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 0.4980 -0.4540 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9000 -0.1600 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 0.2860 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9240 1.8800 -0.8800 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 2.1780 -2.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 1.3010 -2.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5190 3.6070 -2.5970 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2520 4.1730 -2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8970 3.6420 -4.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9170 5.0920 -4.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2830 3.0210 -4.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 4.2180 -2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 3.5610 -2.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 5.6480 -1.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2620 0.3860 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3550 0.0640 0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4080 -0.5360 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 2.8660 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 2.8420 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 3.3260 1.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 1.5440 3.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 -0.1510 2.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8380 2.1350 1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 0.8680 2.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -0.7510 0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 0.5160 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 3.0760 -4.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 5.1170 -5.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 5.5340 -4.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 5.6580 -3.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2680 1.9880 -3.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5520 3.0460 -5.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0150 3.5880 -3.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 6.3060 -2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 5.7660 -1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 5.9080 -1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3580 1.4240 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2580 -0.9740 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3340 0.2140 0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 0.7210 1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6300 -0.3060 -2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3870 -0.3860 -1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3120 -1.5740 -0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 M END