MDPI-ZINC04268180 MOE2007 3D CORINA 3.40 0006 02.08.2006 76 79 0 0 1 0 0 0 0 0999 V2000 0.1260 1.3650 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 -0.1380 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -0.7950 0.8010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 -0.7480 -1.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 -2.1960 -1.4080 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2360 -2.5650 -0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 -2.6220 -1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 -2.0940 -2.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 -2.6850 -3.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -2.4940 -3.9310 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0460 -3.2270 -4.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -2.7820 -2.6360 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8960 -2.4160 -2.6730 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4030 -3.2700 -3.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 -2.3410 -1.2710 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0570 -1.5230 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0180 -2.0950 -1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2980 -0.8700 -2.2550 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7930 -1.1980 -3.6890 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0860 -0.4180 -4.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 -1.1520 -3.4310 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5170 -1.0190 -4.7400 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7460 -0.0560 -5.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -1.1040 -4.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 -2.0850 -5.6410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 -1.8170 -6.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 -0.7250 -7.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 -2.8770 -7.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 0.0850 -2.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 0.8450 -2.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3600 0.2440 -1.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6210 1.1880 -0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2370 -2.5000 -4.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3960 -2.5500 -4.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0180 -1.5350 -5.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9220 -3.8720 -5.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6720 -0.4740 -2.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3150 -3.5800 -0.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 -3.4920 0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 -2.4140 1.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 -4.7370 1.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 -4.3310 -2.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5300 -1.9920 -5.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -4.1680 -3.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 1.7700 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 1.7530 -1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 1.6610 0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 -2.1700 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -3.6970 -1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 -1.0050 -2.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5030 -2.3610 -2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4940 -2.9780 -1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4170 -1.9250 -0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 -0.3400 -3.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -0.9020 -5.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5420 -3.7870 -7.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1040 -2.5240 -8.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -3.0860 -8.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5800 1.2100 -0.4100 H 0 0 0 0 0 0 0 0 0 0 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