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17-Nov-2022 GDB_13 Smiles: CC1N=C(NC=C)C(C)C1(C)N RHF 6-31G(d) (6D,10F) C1 167.142248 |X|Y|Z| 21.353731 18.257431 39.979616 24.979516 5 6 7 4 1 |36.858105| |12.455507|36.858105| |7.788401|13.063845|53.358707| |5.906935|8.581313|20.578203|36.858105| |4.295610|5.370229|11.172442|13.925954|53.358707| |3.773849|4.442046|9.084258|7.818464|18.656312|36.858105| |3.004568|3.399455|6.212553|5.206695|10.792774|14.422279|36.858105| |5.633867|7.859500|10.953697|12.566871|10.415219|5.009533|3.895527|36.858105| |5.053195|5.608702|7.656672|7.537549|8.271016|4.316450|3.557363|12.412398|36.858105| |7.203359|12.173407|10.775761|8.114452|7.108729|4.000644|3.183021|12.277466|7.213746|36.858105| |6.360667|7.297489|6.919210|5.146819|5.224683|3.105992|2.595033|7.330930|6.384187|12.487802|36.858105| |4.963005|7.620792|8.257180|6.199224|6.191505|3.635716|2.985442|7.881933|5.067943|12.979654|7.935676|53.358707| 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