-OEChem-09211013203D

  5  4  0     0  0  0  0  0  0999 V2000
  -22.9760    8.8430  -13.9790 N   0  3  0  0  0  0  0  0  0  0  0  0
  -23.6240    7.6320  -14.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.4340    9.8550  -14.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.5520    8.5640  -14.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.1040    9.4110  -12.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
M  CHG  1   1   1
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_MMDB_MOLECULE_NAME>
PC

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_SUBSTANCE_ID>
85098430

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
MMDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
75809.6

> <PUBCHEM_SUBSTANCE_COMMENT>
PDB Accession Code 3HIA
Crystal Structure Of The Choline Binding Domain Of Spr1274 In Streptococcus Pneumoniae
Choline-Binding Protein
Crystal Structure Of The Choline Binding Domain Of Spr1274 In Streptococcus Pneumoniae Beta Hairpin, Choline-Binding Protein Mol_id: 1; Molecule: Choline Binding Protein; Chain: A, B, C; Fragment: Choline Binding Domain; Engineered: Yes

> <PUBCHEM_SUBSTANCE_SYNONYM>
PC

> <PUBCHEM_XREF_EXT_ID>
75809.6

> <PUBCHEM_NCBI_MMDB_ID>
75809

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.ncbi.nlm.nih.gov/Structure/MMDB/mmdb.shtml

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ncbi.nlm.nih.gov/Structure/mmdb/mmdbsrv.cgi?uid=75809

> <PUBCHEM_CID_ASSOCIATIONS>
6380  1

> <PUBCHEM_CONFORMER_ID>
05127FBE00010001

> <PUBCHEM_COORDINATE_TYPE>
2
3
4

$$$$