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4892.42 5468.21 0.228122 0.238609 0.239553 0.191617 -511.424117 -511.413630 -511.412686 -511.460622 1.607781D-04 MUNgauss RevisionA2.1 retrievium 03-Nov-2022 GDB_13 Smiles: CC1(C)CN1NC1=CC=CC=N1 RHF 6-31G(d) (6D,10F) C1 163.110948 |X|Y|Z| 40.699443 20.532597 13.882147 22.637563 10 6 7 7 3 |36.858105| |12.584460|36.858105| |7.487412|12.596861|36.858105| |7.408259|12.924430|7.372481|36.858105| |7.369903|13.066815|7.716409|13.095238|53.358707| |6.669966|7.814107|5.172601|7.983549|18.276974|53.358707| |5.485484|5.816195|4.503782|5.235453|10.921034|18.607883|36.858105| |4.055033|4.122960|3.385085|3.980629|7.167639|10.772696|13.583814|36.858105| |3.408757|3.390223|2.957390|3.177480|5.488342|7.104782|7.998296|13.881638|36.858105| |3.455569|3.412440|3.107215|3.042059|5.286870|6.303001|7.000085|7.977714|13.680148|36.858105| |4.251505|4.240620|3.912414|3.547212|6.457343|7.330784|8.409405|7.064717|8.062287|13.847955|36.858105| 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