-OEChem-09021010393D

 18 18  0     0  0  0  0  0  0999 V2000
   88.0300  157.8350   40.2300 O   0  0  0  0  0  0  0  0  0  0  0  0
   89.0940  161.5780   42.9550 O   0  0  0  0  0  0  0  0  0  0  0  0
   86.3630  159.1970   39.9380 O   0  0  0  0  0  0  0  0  0  0  0  0
   87.9180  161.2480   41.1390 O   0  0  0  0  0  0  0  0  0  0  0  0
   87.0270  158.0800   47.2470 O   0  0  0  0  0  0  0  0  0  0  0  0
   84.8510  156.0220   45.6830 O   0  0  0  0  0  0  0  0  0  0  0  0
   85.1600  159.1280   46.9120 O   0  0  0  0  0  0  0  0  0  0  0  0
   86.1670  155.0330   44.4500 O   0  0  0  0  0  0  0  0  0  0  0  0
   86.9900  158.5460   42.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
   87.4180  159.6380   43.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   86.5230  158.5370   44.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
   86.2030  157.4040   44.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
   86.3600  157.4620   42.8320 C   0  0  0  0  0  0  0  0  0  0  0  0
   87.1480  159.6340   44.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
   87.1760  158.4960   40.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
   88.1750  160.8220   42.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
   86.2170  158.5890   46.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
   85.6910  156.1640   44.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 16  2  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5 17  2  0  0  0  0
  6 18  2  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
  9 15  1  0  0  0  0
 10 14  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_MMDB_MOLECULE_NAME>
PMA

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
26705686

> <PUBCHEM_SUBSTANCE_VERSION>
7

> <PUBCHEM_EXT_DATASOURCE_NAME>
MMDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
49141.5

> <PUBCHEM_SUBSTANCE_COMMENT>
PDB Accession Code 1FUP
Fumarase With Bound Pyromellitic Acid
Lyase
Fumarase With Bound Pyromellitic Acid Lyase, Tricarboxylic Acid Cycle Mol_id: 1; Molecule: Fumarase C; Chain: A, B; Synonym: Fumc; Ec: 4.2.1.2; Engineered: Yes

> <PUBCHEM_SUBSTANCE_SYNONYM>
PMA

> <PUBCHEM_XREF_EXT_ID>
49141.5

> <PUBCHEM_NCBI_MMDB_ID>
49141

> <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=49141

> <PUBCHEM_CID_ASSOCIATIONS>
6961  1

> <PUBCHEM_CONFORMER_ID>
01977F1600070001

> <PUBCHEM_COORDINATE_TYPE>
2
3
4

$$$$