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0.139913 -525.063252 -525.056872 -525.055928 -525.094850 1.305450D-04 MUNgauss RevisionA2.1 retrievium 09-Apr-2022 GDB_13 Smiles: C1C2CN1C1=CN3N=CC=C3N21 RHF 6-31G(d) (6D,10F) C1 160.074896 |X|Y|Z| 18.036876 35.488969 11.555074 19.483896 12 6 7 8 4 |36.858105| |12.317657|36.858105| |9.302862|12.317740|36.858105| |12.546034|9.219291|12.546096|53.358707| |8.522264|8.599970|8.521440|18.148926|36.858105| |5.484503|5.543293|5.484165|9.853630|14.297466|36.858105| |4.699284|5.285637|4.699390|7.242599|8.846680|13.602162|53.358707| |3.560934|3.935152|3.560909|5.273976|5.461855|7.518293|19.307994|53.358707| |3.380740|3.910487|3.380508|4.744387|4.656514|5.486185|12.474665|19.798163|36.858105| |4.019333|5.047969|4.019174|5.391639|5.283218|5.485345|11.795640|11.332175|13.488189|36.858105| |5.382386|7.010749|5.382462|7.513022|8.548374|8.357028|19.236062|11.552848|8.781936|13.815897|36.858105| |8.366771|13.029788|8.366307|11.592481|13.732790|8.544830|12.072440|7.666022|5.413884|7.259238|14.053017|53.358707| |17.633775|8.403591|6.252969|11.765398|7.652488|5.503041|6.554115|5.033353|3.495190|4.087203|5.372477|10.184574|0.500000| |17.633627|8.549194|7.898613|12.093589|5.932694|4.262868|5.061984|4.034928|2.846464|3.320171|4.163490|7.904297|0.296610|0.500000| |8.097496|17.688788|8.097444|8.295876|5.919593|4.384345|6.102727|4.842600|3.717302|4.955285|6.112955|11.971557|0.180244|0.190224|0.500000| |7.898598|8.549376|17.633402|12.093282|5.932315|4.262650|5.062045|4.034896|2.846313|3.320086|4.163537|7.904079|0.151621|0.233046|0.190228|0.500000| |6.252966|8.403657|17.633859|11.765387|7.651275|5.502344|6.554384|5.033261|3.494685|4.086872|5.372605|10.183661|0.133541|0.151621|0.180243|0.296610|0.500000| |4.495867|4.324437|4.495758|8.029245|8.643797|17.874569|11.942436|8.860957|4.658838|4.367608|5.804346|7.900619|0.126908|0.102657|0.098703|0.102654|0.126901|0.500000| |2.852099|3.234243|2.851889|3.966864|3.694152|4.264002|8.367719|12.609671|17.773531|8.564517|5.922467|5.671818|0.082000|0.068434|0.087320|0.068430|0.081987|0.106333|0.500000| |3.696313|4.716288|3.696181|4.770692|4.342531|4.279431|7.997703|7.827941|8.501899|17.836591|8.598440|8.106397|0.103547|0.087300|0.138707|0.087298|0.103540|0.098242|0.194652|0.500000| 524.741822 -2624.733057 946.439487 -70.987086 -1224.538833 699.304072 -525.234761 2.000939 408B7FFFFFFFFFFF 41BEAD005FFFFFFB 41575F3D3CF3CF39 40F85D7FFFFFFFFF 4050000000000000 41E43C1BCFFFFFFE