-OEChem-07191013253D

 18 19  0     1  0  0  0  0  0999 V2000
    0.6035   -1.6325   -2.0745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6705   -0.3475   -3.7255 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3155    1.6325   -3.6665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9685   -1.5525   -0.1655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9235   -0.5545    3.7255 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9685   -0.1645   -1.1865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7455   -1.0785   -0.2375 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8945   -1.0495    1.7625 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7195   -1.2775   -1.7025 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0825   -0.0105   -2.4825 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2875    0.6265   -2.6505 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1775   -0.5845   -2.9055 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9405   -1.2495    0.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3945   -0.7305    0.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4295   -0.5305    1.7725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8015   -0.6985    2.5155 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6545   -0.4185   -2.5785 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6785   -0.1425    2.5025 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 13  2  0  0  0  0
  5 16  2  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
7885419

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
SMID

> <PUBCHEM_EXT_DATASOURCE_REGID>
5MU-5MU-5MU

> <PUBCHEM_SUBSTANCE_SYNONYM>
5MU-5MU-5MU

> <PUBCHEM_XREF_EXT_ID>
5MU-5MU-5MU

> <PUBCHEM_NCBI_MMDB_ID>
24543

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://smid.blueprint.org/SMInfo.php?hetname=5MU-5MU-5MU

> <PUBCHEM_CID_ASSOCIATIONS>
445408  1

> <PUBCHEM_CONFORMER_ID>
0078526B00010001

> <PUBCHEM_COORDINATE_TYPE>
2
3
4

$$$$