PY-MAA-Val-Cit-PABC
     RDKit          2D

 49 50  0  0  1  0  0  0  0  0999 V2000
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    5.4830   -2.4911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3733    5.0705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2655   -6.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7901    2.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3775    3.6413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7432    2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9223    4.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4202    4.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7504    0.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7859    3.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4159    6.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2056    0.7700    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7462   -1.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3336   -2.4651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6139    0.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0692    1.1468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1118    0.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6993   -1.3738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.4817    2.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4391    3.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9370    2.9527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.7419   -2.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1971   -2.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3293   -3.8943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2398   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0
  2 22  2  0
  3 23  2  0
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  5 30  2  0
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  6 22  1  0
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 46 47  1  0
 46 48  2  0
 47 49  2  0
M  END
>  <s_m_entry_id>  (1) 
17

>  <s_m_entry_name>  (1) 
entry

>  <r_f3d_energy>  (1) 
0

>  <i_f3d_flags>  (1) 
0

$$$$
