MDPI-ZINC03846016 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 -0.3420 0.7190 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -0.7990 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.1010 1.4540 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5240 -0.4710 2.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 -2.5540 1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -2.8470 1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 -1.5250 0.7800 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5060 -1.8250 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 -0.7140 1.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9210 -0.9740 3.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 -0.8970 1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 0.0350 1.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 1.0720 2.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 2.4170 2.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 3.4250 3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 3.0950 4.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 1.7580 4.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3520 0.7500 3.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 -1.3770 -1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 1.1730 -0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 0.9400 -0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 1.2310 1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -3.2710 1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 -2.6760 2.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 -3.6270 0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5440 -3.2560 2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -2.5570 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4260 -2.2440 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -0.9230 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7230 -1.5940 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1360 0.0650 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 2.6870 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 4.4650 2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7890 3.8780 5.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 1.4990 5.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 -0.2890 4.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -0.9060 -1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -2.4560 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -1.1900 -1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 0.1300 1.4670 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 40 1 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 M CHG 1 40 -1 M END