MDPI-ZINC04273505 MOE2007 3D CORINA 3.40 0006 02.08.2006 78 81 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -2.0580 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8510 -2.5870 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8330 -4.1110 -0.2440 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2070 -4.5380 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 -4.4960 -1.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2580 -4.6520 -0.1090 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8930 -4.2420 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2540 -6.1990 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9080 -6.6950 1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7690 -5.5010 1.5710 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.6680 -5.4440 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8260 -4.3050 1.2640 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.6610 -3.0420 1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1210 -2.9030 2.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9020 -4.1280 3.2770 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.8370 -4.1850 2.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1310 -5.4420 3.0440 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2260 -5.4460 3.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0250 -6.6320 3.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3240 -6.5990 4.9050 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.0300 -7.3920 5.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9290 -5.2520 5.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0390 -5.2420 5.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6570 -3.9680 6.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8240 -3.8960 6.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7600 -2.7460 6.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0460 -2.7370 4.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2210 -3.9830 4.7700 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8970 -3.8230 5.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0940 -6.7920 5.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1940 -7.3910 6.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2750 -7.7430 7.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9600 -7.6250 7.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6970 -4.2570 2.2950 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 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -0.2570 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -2.3340 -1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -2.4890 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3330 -2.3100 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 -2.1560 -0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -4.1110 -1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 -5.5820 -1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8970 -4.0700 -2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8350 -6.5390 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 -6.5680 -0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5280 -7.5720 0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1470 -6.9100 1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0600 -2.1790 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5280 -3.1240 0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2460 -2.7770 3.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7550 -2.0210 2.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9580 -6.5700 2.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5110 -7.5620 3.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4840 -6.1740 6.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3600 -1.8430 6.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0280 -2.8040 7.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7870 -2.6400 4.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3710 -1.8820 4.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3780 -2.9350 5.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0950 -3.7170 6.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2750 -4.7020 5.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7910 -6.7650 8.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0960 -8.5180 8.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1000 -7.7600 7.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9840 -3.4810 2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1120 -4.0350 3.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 -5.2220 2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 42 1 0 0 0 0 3 43 1 0 0 0 0 3 44 1 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 46 1 0 0 0 0 4 47 1 0 0 0 0 5 6 1 0 0 0 0 5 48 1 0 0 0 0 5 49 1 0 0 0 0 6 7 1 0 0 0 0 6 50 1 0 0 0 0 6 51 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 52 1 0 0 0 0 9 53 1 0 0 0 0 9 54 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 55 1 0 0 0 0 12 56 1 0 0 0 0 13 14 1 0 0 0 0 13 57 1 0 0 0 0 13 58 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 18 19 1 0 0 0 0 18 61 1 0 0 0 0 18 62 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 34 1 0 0 0 0 26 27 2 0 0 0 0 26 32 1 0 0 0 0 27 28 1 0 0 0 0 27 65 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 31 32 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 32 33 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 37 75 1 0 0 0 0 38 76 1 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 M END