-OEChem-01131113493D

 22 23  0     0  0  0  0  0  0999 V2000
    9.4980   51.9300  111.1200 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8310   56.4030  111.5140 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.3310   56.0140  111.9730 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9400   56.1880  109.9890 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8470   55.4530  112.2080 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1520   57.9230  111.8190 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6770   50.3510  111.2580 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.6400   46.4090  109.1070 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8190   45.8370  111.3490 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5060   48.3610  108.3880 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1320   51.5360  111.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9690   52.6310  111.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6490   47.8250  110.7710 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8550   49.0770  111.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9510   50.3070  110.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9360   47.5220  109.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7930   54.0710  112.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1280   46.9210  111.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0710   45.5870  110.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6710   51.6680  112.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1680   54.6320  111.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8570   44.3530  109.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3 21  1  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 16  2  0  0  0  0
  8 19  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 18  2  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  CHG  1   7   1
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_MMDB_MOLECULE_NAME>
TPS

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_SUBSTANCE_ID>
47169921

> <PUBCHEM_SUBSTANCE_VERSION>
6

> <PUBCHEM_EXT_DATASOURCE_NAME>
MMDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
62237.5

> <PUBCHEM_SUBSTANCE_COMMENT>
PDB Accession Code 2QRY
Periplasmic Thiamin Binding Protein
Transport Protein
Periplasmic Thiamin Binding Protein Thiamin Binding Protein, Periplasmic, Abc Transporter, Transport Protein Mol_id: 1; Molecule: Thiamine-Binding Periplasmic Protein; Chain: A, B, C, D; Engineered: Yes

> <PUBCHEM_SUBSTANCE_SYNONYM>
TPS

> <PUBCHEM_XREF_EXT_ID>
62237.5

> <PUBCHEM_NCBI_MMDB_ID>
62237

> <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=62237

> <PUBCHEM_CID_ASSOCIATIONS>
1131  1

> <PUBCHEM_CONFORMER_ID>
02CFC18100060001

> <PUBCHEM_COORDINATE_TYPE>
2
3
4

$$$$