-OEChem-09151010573D

 11 11  0     0  0  0  0  0  0999 V2000
   38.3080   21.7920   21.7350 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.9670   23.9300   20.9360 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.4040   23.9540   19.3400 N   0  0  0  0  0  0  0  0  0  0  0  0
   41.8440   23.0820   21.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.6170   22.1590   22.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.5290   22.7290   21.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.8110   23.6840   20.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.2430   22.8600   22.9270 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0300   21.9570   23.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.3330   22.3020   23.8430 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.7000   22.2570   20.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2  7  2  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_MMDB_MOLECULE_NAME>
3MB

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
26718654

> <PUBCHEM_SUBSTANCE_VERSION>
6

> <PUBCHEM_EXT_DATASOURCE_NAME>
MMDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
58347.2

> <PUBCHEM_SUBSTANCE_COMMENT>
PDB Accession Code 3PAX
The Catalytic Fragment Of Poly(Adp-Ribose) Polymerase Complexed With 3-Methoxybenzamide
Transferase
The Catalytic Fragment Of Poly(Adp-Ribose) Polymerase Complexed With 3-Methoxybenzamide Transferase, Glycosyltransferase, Nad(+) Adp- Ribosyltransferase Mol_id: 1; Molecule: Poly(Adp-Ribose) Polymerase; Chain: A; Fragment: Catalytic Fragment; Synonym: Parp-Cf, Poly(Adp-Ribose) Transferase, Poly (Adp- Ribose) Synthetase; Ec: 2.4.2.30; Engineered: Yes

> <PUBCHEM_SUBSTANCE_SYNONYM>
3MB

> <PUBCHEM_XREF_EXT_ID>
58347.2

> <PUBCHEM_NCBI_MMDB_ID>
58347

> <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=58347

> <PUBCHEM_CID_ASSOCIATIONS>
98487  1

> <PUBCHEM_CONFORMER_ID>
0197B1BE00060001

> <PUBCHEM_COORDINATE_TYPE>
2
3
4

$$$$