-OEChem-10281115192D

 14 14  0     0  0  0  0  0  0999 V2000
    2.1347   -1.4402    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0062   -0.2041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7083   -1.4416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4227   -0.2041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7182   -1.4402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7083    1.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0062   -1.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7083    0.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4227   -1.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4277   -1.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4203    1.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4277   -0.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1347   -1.4387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1298    1.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  7  2  0  0  0  0
  2  8  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
24868787

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
45330_RIEDEL

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-Chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine
45330_RIEDEL
Atrazine

> <PUBCHEM_XREF_EXT_ID>
45330_RIEDEL

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.sigmaaldrich.com?cm_mmc=PubChem-_-public%20database-_-products-_-products

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.sigmaaldrich.com/catalog/search/ProductDetail/RIEDEL/45330?cm_mmc=PubChem-_-public%20database-_-products-_-products

> <PUBCHEM_CID_ASSOCIATIONS>
2256  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$