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MUNgauss RevisionA2.1 retrievium 08-Feb-2023 GDB_13 Smiles: CC1(C)NCC2C1C1=C2N=NN1 RHF 6-31G(d) (6D,10F) C1 164.106196 |X|Y|Z| 21.015501 14.663745 34.910726
22.075701 10 6 7 6 4
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