MDPI-ZINC03846301 MOE2007 3D CORINA 3.40 0006 02.08.2006 86 87 0 0 1 0 0 0 0 0999 V2000 -0.9220 -0.0080 -2.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 -1.5110 -2.0730 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1200 -1.9170 -3.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 -2.2060 -1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -1.6360 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 -1.8740 0.7830 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9580 -2.9440 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 -1.1790 -0.1390 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5520 -0.1090 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6290 -1.7490 -1.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1040 -1.4050 0.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0420 -0.5150 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7650 0.3770 -0.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4400 -0.6290 0.5460 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.4020 -0.6280 1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2770 0.5570 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7300 0.3670 0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7270 1.8500 0.6700 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.6650 1.9370 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4660 3.0300 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6420 3.1780 0.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7390 4.0240 -0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9130 1.8220 2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2800 0.8080 2.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6710 2.9240 2.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7480 2.7910 4.3360 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.3900 1.8040 4.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2000 2.9620 4.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7020 4.3480 4.3760 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.7360 4.4700 4.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8330 5.4220 5.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3810 5.2500 4.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8790 3.8650 4.9940 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.9360 3.7650 6.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4270 3.6940 4.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5580 4.7670 5.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 2.3080 4.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6210 4.4880 2.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0660 -1.9140 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6800 -2.4280 -0.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1720 -2.5560 0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 -1.3040 2.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -2.0900 3.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 0.1670 2.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 0.1610 -2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 0.4870 -2.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 0.3970 -1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 -3.2760 -1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 -2.0360 -1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -2.1310 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 -0.5660 0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3450 -1.2540 -2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8340 -2.8190 -1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2290 0.6170 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7780 0.3070 1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3270 1.2120 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1220 -0.5540 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7180 3.6800 -0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2540 4.1180 -1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7170 4.9930 -0.2760 H 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -3.1520 3.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -1.9310 2.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 0.7270 1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 0.5730 3.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 0.2500 1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 1 0 0 0 0 4 48 1 0 0 0 0 4 49 1 0 0 0 0 5 6 1 0 0 0 0 5 50 1 0 0 0 0 5 51 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 42 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 52 1 0 0 0 0 10 53 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 54 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 24 2 0 0 0 0 23 25 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 33 1 0 0 0 0 28 29 1 0 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