# Geometries for the Grimme's S12L data set of supramolecular complexes
# Geometries taken from ref. DOI: 10.1002/chem.201200497

# By original number
"2a": 2a_TCNA_tweezer.xyz
"2b": 2b_DCB_tweezer.xyz
"3a": 3a_TNF_pincer.xyz
"3b": 3b_NDB_pincer.xyz
"4a": 4a_C60_catcher.xyz
"4b": 4b_C70_catcher.xyz
"5a": 5a_GLH_mcyle.xyz
"5b": 5b_BQ_mcyle.xyz
"6a": 6a_BuNH4_CB6.xyz
"6b": 6b_PrNH4_CB6.xyz
"7a": 7a_FECP_CB7.xyz
"7b": 7b_ADOH_CB7.xyz

# By name
"tcna_tweezer": 2a_TCNA_tweezer.xyz
"dcb_tweezer": 2b_DCB_tweezer.xyz
"tnf_pincer": 3a_TNF_pincer.xyz
"ndb_pincer": 3b_NDB_pincer.xyz
"c60_catcher": 4a_C60_catcher.xyz
"c70_catcher": 4b_C70_catcher.xyz
"glh_mcyle": 5a_GLH_mcyle.xyz
"bq_mcyle": 5b_BQ_mcyle.xyz
"bunh4_cb6": 6a_BuNH4_CB6.xyz
"prnh4_cb6": 6b_PrNH4_CB6.xyz
"fecp_cb7": 7a_FECP_CB7.xyz
"adoh_cb7": 7b_ADOH_CB7.xyz