MDPI-ZINC04292895 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 1.0560 -0.5940 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -0.6910 0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -2.1400 0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1390 -2.4490 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 -2.7390 0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1060 -4.2560 0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 -4.8800 -0.5940 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7980 -6.3740 -0.4750 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7180 -6.8710 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 -6.6370 0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 -8.1410 0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -8.8930 -0.5250 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1700 -8.4800 -1.7060 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1510 -8.9900 -1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -6.9770 -1.8110 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1840 -6.8010 -2.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -6.2500 -2.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 -6.7990 -2.7550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -4.7830 -2.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -4.1610 -1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 -2.6440 -1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -8.9670 -2.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 -9.2190 -2.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 -8.7530 -1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 -8.3620 -0.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 -10.3860 -0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 -4.7050 -1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 -2.3300 1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1780 -2.4730 0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -4.4720 1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9360 -4.6780 1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -6.2100 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -6.1860 1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -8.3180 1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 -8.5300 1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 -4.2060 -2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 -2.2650 -1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -2.2960 -1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 -9.8950 -3.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 -8.2130 -3.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 -10.2820 -2.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 -8.6580 -3.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5670 -10.5300 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 -10.9630 -1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -10.7230 0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6850 -3.6430 -1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4450 -5.1440 -2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2020 -5.2030 -0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 23 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 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 23 42 1 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 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 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 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M END