MDPI-ZINC04235275 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 0.2410 0.0750 1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -1.2730 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 -1.7210 0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7870 -0.8210 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 0.5270 0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 0.9750 1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1740 -1.3100 0.2300 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2640 -2.3720 0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4950 -1.0540 -1.2520 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6510 -0.5720 -1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6900 -0.1280 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4180 0.4400 -2.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4890 1.2670 -1.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8320 1.5250 -0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1090 0.9600 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0260 0.1240 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1730 -0.5420 0.9780 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9780 2.4110 -0.3560 N 0 3 0 0 0 0 0 0 0 0 0 0 9.8060 2.0730 0.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0930 3.4770 -0.9340 O 0 5 0 0 0 0 0 0 0 0 0 0 8.2810 1.8860 -3.0970 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1390 1.3020 -4.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 3.3190 -3.3300 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9430 3.9030 -2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5940 3.9380 -4.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4260 5.0130 -4.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1530 5.5800 -5.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0480 5.0730 -6.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2160 3.9970 -6.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4930 3.4270 -5.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0520 3.3040 -3.7670 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.0300 1.9020 -2.6600 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8230 -2.2790 -1.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 0.4260 1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -1.9760 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 -2.7740 0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 1.2300 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 2.0290 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1490 0.2370 -3.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3830 1.1650 1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 -0.5020 1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5080 5.4090 -3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8020 6.4200 -5.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6150 5.5160 -7.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1340 3.6010 -7.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8460 2.5850 -5.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0340 -2.1770 -2.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 32 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 31 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 28 29 2 0 0 0 0 28 44 1 0 0 0 0 29 30 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 33 47 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END