-OEChem-02281210093D

 17 18  0     1  0  0  0  0  0999 V2000
   -3.6240   24.1440    7.1990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3770   28.0370    4.8220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6520   28.9500    5.9160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8080   25.8700    6.6590 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4590   22.6190    7.3780 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3270   24.7300    6.8350 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0850   22.3480    7.5570 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5680   20.6180    8.1180 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9800   24.5120    7.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2400   23.9270    6.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8020   23.7370    7.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9390   26.7930    6.8620 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3820   21.8990    7.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4540   28.1330    6.2580 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.2100   26.1160    6.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3660   29.3570    6.4970 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.4840   29.6870    7.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 14  1  0  0  0  0
  3 16  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  2  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
7890758

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
SMID

> <PUBCHEM_EXT_DATASOURCE_REGID>
THB

> <PUBCHEM_SUBSTANCE_SYNONYM>
5,6,7,8-TETRAHYDROBIOPTERIN
TETRAHYDROBIOPTERIN
THB

> <PUBCHEM_XREF_EXT_ID>
THB

> <PUBCHEM_NCBI_MMDB_ID>
19482

> <PUBCHEM_EXT_DATASOURCE_URL>
http://smid.blueprint.org/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://smid.blueprint.org/SMInfo.php?hetname=THB

> <PUBCHEM_CID_ASSOCIATIONS>
44257  1

> <PUBCHEM_CONFORMER_ID>
0078674600010001

> <PUBCHEM_COORDINATE_TYPE>
2
3
4

$$$$