MDPI-ZINC03845398 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3410 0.2470 0.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 -1.8490 0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 -2.2790 0.0190 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6320 -1.5400 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5260 -2.4230 -1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 -3.6270 0.7340 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5300 -4.3670 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5970 -4.0810 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6890 -5.4630 1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6850 -6.0290 1.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9970 -6.1250 1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0870 -7.4080 2.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3160 -8.0220 2.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4600 -7.3730 1.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3790 -6.1030 1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1580 -5.4740 1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6420 -3.4860 2.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 -4.2430 2.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1190 -4.1130 3.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7370 -3.2260 4.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8070 -2.4690 4.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2570 -2.5950 3.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -3.1620 -1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5680 -2.7460 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 -0.7760 -2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1880 -3.3880 1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9800 -4.0980 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1950 -7.9160 2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3870 -9.0120 2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4200 -7.8590 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2760 -5.6030 0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0970 -4.4810 0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 -4.9360 1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -4.7050 4.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -3.1260 5.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2900 -1.7760 4.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0900 -2.0010 2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4210 -1.1280 -2.1060 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 -1.1970 -3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 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 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 33 46 1 0 0 0 0 46 47 1 0 0 0 0 M END