MDPI-ZINC04268185 MOE2007 3D CORINA 3.40 0006 02.08.2006 73 77 0 0 1 0 0 0 0 0999 V2000 -0.0470 1.5010 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 0.0110 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -0.5440 0.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 -0.7010 0.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 -2.1440 0.3940 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1810 -2.3900 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 -2.6820 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8460 -2.2610 -1.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1980 -2.7880 -1.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4800 -2.5120 -0.0030 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2710 -3.2350 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -2.7660 0.9220 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5760 -2.3690 2.3570 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2770 -3.1480 2.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 -2.3950 3.2760 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6860 -1.5670 3.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 -2.2360 4.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 -0.9760 4.8780 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9260 -1.1750 3.9730 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3940 -2.1470 4.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2590 -1.0270 2.5640 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3120 -0.6670 1.5690 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2340 0.4190 1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0950 -1.1370 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6260 -0.8930 2.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9730 -0.1880 3.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8420 -0.0940 4.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4600 1.2180 2.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1000 -0.9360 3.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 0.0880 2.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 0.8380 1.9250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 0.1660 4.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 1.0670 4.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 -0.6920 6.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 -3.6380 3.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -3.5820 3.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 -2.5260 3.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5380 -4.8370 3.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -4.3050 0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3160 -4.2810 -1.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2690 -2.0880 -2.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 1.8900 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 1.7170 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 1.9740 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -2.2190 -1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 -3.7520 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8820 -1.1700 -2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 -2.6460 -2.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -3.1120 5.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 -2.1520 5.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4830 -0.4030 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0980 -1.1420 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3350 1.1470 2.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7240 1.7530 3.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6670 1.7560 2.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7640 -1.9410 4.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3680 -0.4010 4.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9690 -0.9980 3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 1.0270 5.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 1.8360 4.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 -0.5540 6.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 -4.9690 2.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 -4.7540 4.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 -5.6950 3.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -4.5380 1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 -4.7870 1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 -4.6710 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 -4.8080 -1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2120 -4.6880 -1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3820 -4.4090 -2.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0980 -2.3290 -3.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2600 -2.4330 -2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2030 -1.0090 -2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 47 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 62 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 39 65 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 40 68 1 0 0 0 0 40 69 1 0 0 0 0 40 70 1 0 0 0 0 41 71 1 0 0 0 0 41 72 1 0 0 0 0 41 73 1 0 0 0 0 M END