Tra-Exa-PSAR10
     RDKit          2D

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M  CHG  2  78   1  80  -1
M  END
>  <s_m_entry_id>  (1) 
97

>  <s_m_entry_name>  (1) 
entry

>  <r_f3d_energy>  (1) 
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>  <i_f3d_flags>  (1) 
0

$$$$
