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11.22243
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MUNgauss RevisionA2.1 retrievium 20-Dec-2022 GDB_13 Smiles: CC1=CN2N=C(C)C(C=C)=C2C1 RHF 6-31G(d) (6D,10F) C1 160.100048 |X|Y|Z| 41.421081 23.448712 8.494785
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