DCL000915
 Wcorina  07020613003D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 32 34  0     0  0  0  0  0  0999 V2000
   -0.0163    1.3521    0.0095 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5674    2.9822    0.0037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3466   -0.5785    0.0222 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0998    0.7675   -0.0139 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6598    0.7535   -0.9678 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0029   -0.9669    0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3372   -0.4003   -0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2453    1.8096   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6677   -2.3134   -0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6622   -1.7490   -0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6603   -2.7002   -0.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0548   -1.0849   -1.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4714    0.8824    0.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5350   -0.7073   -1.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9516    1.2600    0.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0709    1.1614   -0.9516 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0683    0.8200   -0.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4462   -3.0619    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6978   -2.0552   -0.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9148   -3.7497   -0.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6232   -0.6435   -2.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583   -2.1697   -1.2067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9497    1.2318    1.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0332    1.3461   -0.7616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9732   -1.1710   -0.1839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0567   -1.0568   -1.9587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0480    2.3447    0.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3832    0.8186    1.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5703    0.7086   -0.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1345    2.2470   -0.8771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5551    0.8313   -1.8707 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 18  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
16674465

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
Thomson Pharma

> <PUBCHEM_EXT_DATASOURCE_REGID>
02016877

> <PUBCHEM_XREF_EXT_ID>
02016877

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.thomson-pharma.com/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.thomson-pharma.com/report/chemistry?ch=TS02016877

> <PUBCHEM_CID_ASSOCIATIONS>
6918525  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$