adf:tpa2019geo
N 1.37007100 -0.35885400 0.16454200 C 1.06715100 1.00681900 0.12824900 O 1.91939400 1.86278200 0.13981900 N -0.29829700 1.30581000 0.07791600 C -1.32727100 0.35949000 0.02442400 O -2.49081000 0.67085600 -0.06588400 N -0.90704900 -0.97318200 0.09398400 C 0.42514300 -1.39111600 0.18169400 O 0.73718800 -2.55562100 0.25646900 C 2.76472400 -0.73398700 0.18074600 C 3.54634900 -0.47476000 1.30411600 C 3.32117600 -1.35162000 -0.93721400 C 4.89025800 -0.82859000 1.30830700 H 3.10688100 0.01299500 2.16779300 C 4.66132200 -1.71498000 -0.93231600 H 2.70380400 -1.55492100 -1.80591000 C 5.47121300 -1.45624300 0.19020200 H 5.50220400 -0.62373000 2.18004800 H 5.09665300 -2.19769200 -1.80070700 C -0.67861200 2.69920600 0.06432300 C -1.28411900 3.25621600 1.18840300 C -0.44208200 3.47678000 -1.06679800 C -1.66106500 4.59275500 1.18104800 H -1.46874100 2.64146700 2.06328500 C -0.81038200 4.81653700 -1.07433200 H 0.03675600 3.03631200 -1.93507800 C -1.42950900 5.39756200 0.04878000 H -2.13673000 5.02812700 2.05331200 H -0.62515800 5.42516200 -1.95284100 C -1.92754000 -1.99450300 0.06359000 C -2.04513500 -2.82246000 -1.05065000 C -2.79302500 -2.14211100 1.14488300 C -3.02991300 -3.80149700 -1.08468400 H -1.36305800 -2.70513600 -1.88585800 C -3.78532800 -3.11364400 1.10964200 H -2.69793200 -1.48978500 2.00647700 C -3.92110700 -3.96110100 -0.00655400 H -3.12304100 -4.44806400 -1.95057700 H -4.46427700 -3.22661400 1.94767100 C 6.85113700 -1.82261500 0.18380600 C 8.02488900 -2.13703100 0.15392700 C -4.94425900 -4.95576200 -0.04849600 C -5.82047000 -5.79706000 -0.09222000 C -1.81823600 6.77087500 0.04544800 C -2.15662000 7.93835000 0.05628700 C -2.56135000 9.30493400 0.07744900 C -2.12666200 10.21543100 -0.90357700 C -3.40801500 9.79763800 1.08782800 C -2.51736800 11.54521100 -0.88253200 H -1.46506400 9.86812300 -1.69093200 C -3.80723900 11.12457700 1.11721800 H -3.75446700 9.12108000 1.86283100 C -3.38089200 12.03887700 0.12447900 H -2.14687800 12.20637400 -1.65651200 H -4.45577000 11.45301500 1.92027100 C -6.85130300 -6.78032400 -0.14819000 C -7.96578200 -6.72113500 0.70903900 C -6.80010900 -7.84176700 -1.07084500 C -8.97638200 -7.66818300 0.65157500 H -8.03802600 -5.90940400 1.42608500 C -7.80289400 -8.79673900 -1.13437400 H -5.95604300 -7.91136800 -1.74965600 C -8.92041600 -8.74348600 -0.26727700 H -9.81710800 -7.57049300 1.32751000 H -7.71708400 -9.59003100 -1.86705900 C 9.39928500 -2.51222600 0.10045700 C 9.84979000 -3.49108700 -0.80486300 C 10.35730400 -1.92351800 0.94631500 C 11.18366500 -3.86119600 -0.86911300 H 9.13272100 -3.97084600 -1.46352400 C 11.69487700 -2.28308000 0.88798600 H 10.03990200 -1.17037200 1.66097300 C 12.15172100 -3.25761900 -0.03121400 H 11.47575800 -4.62643100 -1.57824900 H 12.39057500 -1.80174400 1.56462900 N 13.48495400 -3.60114400 -0.11209600 C 14.42221600 -3.07598400 0.85863400 H 14.18893500 -3.39343000 1.88478800 H 15.42436100 -3.42582200 0.61397400 H 14.44121000 -1.98105100 0.83763700 C 13.88851600 -4.72173000 -0.93591300 H 13.61905400 -4.56080100 -1.98480700 H 14.97119100 -4.82914900 -0.88791900 H 13.43549700 -5.66799100 -0.60885000 N -3.79446500 13.35470100 0.13435000 N -9.91162100 -9.70140600 -0.31231400 C -9.89610400 -10.70305500 -1.35800000 H -10.73014300 -11.38743700 -1.20991700 H -9.98565200 -10.26541100 -2.36214400 H -8.97498400 -11.29381100 -1.32573100 C -11.12241300 -9.51747900 0.46056000 H -11.77815700 -10.37339000 0.30729400 H -10.90439000 -9.45638700 1.53198000 H -11.67069500 -8.60970600 0.17198800 C -3.20051400 14.30014700 -0.78804600 H -3.66332900 15.27603200 -0.64711500 H -2.11742600 14.40941900 -0.63839500 H -3.37158300 14.00095100 -1.82712200 C -4.54820200 13.86188300 1.26186200 H -4.81074500 14.90292500 1.07748300 H -5.48182400 13.30533100 1.39606200 H -3.98321800 13.81215000 2.20346000
adf/tpa2019geo.txt · 最后更改: 2020/02/23 21:09 由 liu.jun