MDPI-ZINC03849021 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 58 0 0 1 0 0 0 0 0999 V2000 -2.3440 0.4060 0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 -0.7980 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 -1.0760 1.3730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -2.1090 1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -2.7600 0.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -2.4570 2.2000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0920 -1.9970 3.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 -3.9780 2.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5220 -4.3260 3.3730 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6020 -5.4090 3.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8540 -3.7550 2.8820 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7410 -2.2980 2.7380 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 -1.9400 1.7430 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6670 -0.4180 1.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 0.1510 2.7860 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9470 0.0690 1.3100 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 -0.0830 0.5500 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0590 -2.5290 0.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9530 -4.0830 3.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9850 -5.4640 4.1180 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 -3.6640 3.3930 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 -3.4220 5.0990 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1830 -4.3340 1.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 -3.7310 4.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 -2.5310 4.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -4.5340 5.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 -3.8920 7.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -4.9590 8.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -4.4860 2.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 -5.6320 2.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6710 -6.1000 2.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 -5.4180 3.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -4.2670 4.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 -3.8070 3.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 -5.8750 4.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1600 -5.1220 5.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7010 1.2750 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 0.6140 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 0.1850 1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 -1.6680 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 -0.5770 -0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 -4.4410 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6330 -1.8870 2.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9140 -2.2460 0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0180 -4.0180 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 -3.2880 7.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -3.2520 6.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 -4.4770 9.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -5.5630 7.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1530 -5.5990 8.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -6.1630 1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -6.9950 2.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2960 -3.7350 5.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -2.9140 4.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 -5.0900 6.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3490 -4.1080 4.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1040 -5.5950 5.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 40 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 51 1 0 0 0 0 31 32 1 0 0 0 0 31 52 1 0 0 0 0 32 33 2 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 33 53 1 0 0 0 0 34 54 1 0 0 0 0 35 36 1 0 0 0 0 36 55 1 0 0 0 0 36 56 1 0 0 0 0 36 57 1 0 0 0 0 M END