K-lock-Val-Cit-PABC
     RDKit          2D

 42 43  0  0  1  0  0  0  0  0999 V2000
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    4.1130    0.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1684    6.5048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0213    3.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4179    2.4918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.2110    0.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.6746    1.0558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  3  8  2  0
  3  4  1  0
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  5  6  1  0
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 40 41  1  0
 40 42  2  0
M  END
>  <s_m_entry_id>  (1) 
48

>  <s_m_entry_name>  (1) 
entry

>  <r_f3d_energy>  (1) 
0

>  <i_f3d_flags>  (1) 
0

$$$$
