PA-seco-CBI-dimer
     RDKit          2D

 60 66  0  0  1  0  0  0  0  0999 V2000
    3.7796    6.3988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6371    5.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9075    3.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7650    2.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3520    3.4831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0355    1.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8930    0.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1634   -0.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5764   -1.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7189   -0.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1319   -0.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4023   -2.4536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2744   -0.0063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1596    1.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5466    2.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8996    3.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8136    4.5531    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5185    0.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7323   -0.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4454   -1.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9448   -1.7212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6580   -3.0408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7311   -0.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2305   -0.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0167    0.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3036    2.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042    2.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0179    0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0209   -1.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3921   -1.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625    0.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0755    0.5673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2180   -0.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6310    0.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9015    1.5742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7735   -0.8731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6588   -2.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0457   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3988   -4.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3127   -5.4325    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -9.0177   -1.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2314   -0.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9445    0.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4440    0.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1571    2.1614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2302   -0.4357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5171   -1.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3033   -3.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8027   -2.9905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5159   -1.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7296   -0.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5200    1.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8717   -4.3182    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.1491   -5.1045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5943   -3.5320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0854   -5.5956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3708    3.4388    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6483    4.2251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0934    2.6526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5846    4.7162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  7 52  1  0
  8  9  1  0
  8 29  1  0
  9 10  2  0
 10 11  1  0
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 18 19  2  0
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 27 28  1  0
 29 30  2  0
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 34 35  2  0
 34 36  1  0
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 57 60  1  0
M  END
>  <s_m_entry_id>  (1) 
50

>  <s_m_entry_name>  (1) 
entry

>  <r_f3d_energy>  (1) 
0

>  <i_f3d_flags>  (1) 
0

$$$$
