Mal-Cyc-PEG3-DAB
     RDKit          2D

 60 66  0  0  1  0  0  0  0  0999 V2000
   21.2139   -3.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9997   -2.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6298   -2.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4156   -1.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5712   -0.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9410    0.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1552   -0.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0458   -2.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9871   -0.1077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3569    0.5035    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   16.5125    1.9954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7729    0.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1888    1.0425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8190    0.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7438    4.6216    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6245    3.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7418    2.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9752    0.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1881   -0.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6698    0.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5524    1.2764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3190    2.7582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.2642    5.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.0107    0.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.0441    2.0123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8938   -0.8648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3187   -2.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7769   -2.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2018   -4.0934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2877   -5.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.7882   -5.2422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0583   -4.5111    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1 60  1  0
  2  7  2  0
  2  3  1  0
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M  END
>  <s_m_entry_id>  (1) 
32

>  <s_m_entry_name>  (1) 
entry

>  <r_f3d_energy>  (1) 
0

>  <i_f3d_flags>  (1) 
0

$$$$
