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 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 13 14  2  0
 13 15  1  0
 15 16  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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 11 12  1  0
 12 13  3  0
 11  6  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 16 17  3  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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  2 15  1  0
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 15 17  2  0
 12  7  1  0
M  END
$$$$

     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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    3.8973   -0.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  3  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
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  9 11  2  0
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 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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  9 11  2  0
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 12 13  1  0
 13 14  1  0
 14 15  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
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 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    5.8798   -0.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4319    0.3584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0
 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  6
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 16 17  2  0
 16 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0
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 16 17  2  0
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    5.8798   -0.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  3  0
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 16 17  2  0
 16 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 22 15  1  0
M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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  1  2  3  0
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 17 19  1  0
 19 20  2  0
  8  3  1  0
 20 14  1  0
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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    2.5597    2.3732    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
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 20 21  1  0
  8  3  1  0
 20 15  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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    3.7027    2.2384    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
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 19 14  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 19 20  1  0
  8  3  1  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.2592   -2.7902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 20 14  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 13 14  1  0
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 17 13  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
M  END
$$$$

     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 17 18  1  0
  8  3  1  0
 16 12  1  0
M  END
$$$$

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
 17 13  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
 18 12  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 18 13  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 18 12  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 18 13  1  0
M  END
$$$$

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 17 12  1  0
M  END
$$$$

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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    2.3559   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 13 12  1  6
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
  8  3  1  0
 17 13  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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   -2.0337   -2.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3666    1.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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  8  9  1  0
  9 10  2  0
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 12 13  1  0
 13 14  1  0
 14 15  1  0
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 16 17  1  6
 16 18  1  0
  8  3  1  0
 18 12  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.4427   -2.7269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7720   -1.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4912    1.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
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 13 12  1  1
 13 14  1  0
 14 15  1  0
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 16 17  1  0
 17 18  1  0
  8  3  1  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.1987   -3.2437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1284   -2.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4141   -2.5727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
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  5  6  2  0
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  9 10  2  0
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 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  6
 17 18  1  0
  8  3  1  0
 16 12  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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   -1.7232   -2.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3432   -1.1541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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  9 10  2  0
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 14 13  1  1
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 16 17  1  0
 17 18  1  0
  8  3  1  0
 18 14  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    5.7922   -0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3956   -0.3974    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
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 10 11  2  0
 11 12  1  0
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 15 16  1  0
 16 17  3  0
  5 18  1  0
 18 19  2  0
 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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    5.2417   -0.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 20  3  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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 18 13  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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    3.9715    0.8039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 19 20  3  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    5.4737    0.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1605    0.1448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3075    2.4695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  4  6  1  0
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 19 20  3  0
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M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.7748    1.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0
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 14  9  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 16 17  3  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
    6.2517   -0.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8116    0.2700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.5935   -2.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1369   -2.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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    7.1274    0.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 14 15  2  0
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 13 15  1  0
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 13 14  2  0
 13 15  1  0
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 14 15  2  0
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 13 15  1  0
 15 16  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 14 15  1  0
 14 16  2  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 18 19  3  0
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 21  2  1  0
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 21  2  1  0
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 21  2  1  0
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 20  2  1  0
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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  3  4  2  0
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 16 17  2  0
 17 18  1  0
 18 19  3  0
  6 20  1  0
 20 21  2  0
 21  3  1  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    3.4758    1.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
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 14 15  2  0
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 16 17  2  0
 17 18  1  0
 18 19  2  0
  8  3  1  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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   -2.0482   -2.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5782    1.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
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 13 14  1  0
 14 15  2  0
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 16 17  2  0
 17 18  1  0
 18 19  2  0
  8  3  1  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    3.4758    1.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
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 14 15  2  0
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 16 17  2  0
 17 18  1  0
 18 19  2  0
  8  3  1  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    3.5782    1.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
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 13 14  1  0
 14 15  2  0
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 17 18  1  0
 18 19  2  0
  8  3  1  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 14 15  1  0
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 18 19  1  0
  8  3  1  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 13 14  1  0
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 18 19  1  0
  8  3  1  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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 10 11  2  0
 11 12  1  0
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 13 14  1  0
 14 15  3  0
 13  8  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  2  0
  4  7  1  0
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  8  9  1  0
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 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  3  0
  2 15  1  0
 15 16  1  0
 16 17  1  0
 12  7  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
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  2 15  1  0
 15 16  1  0
 12  7  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    5.8607   -1.1390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4788   -0.5555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  3  4  2  3
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 17 18  1  0
 18 19  1  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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    6.5144    0.5592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0
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 16 17  2  0
 17 18  1  0
 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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  3  4  2  0
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 13 15  2  3
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 16 17  1  0
  8  3  1  0
 17 15  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 19 20  2  0
  8  3  1  0
 20 15  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 20 15  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
 20 15  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 19 20  2  0
  8  3  1  0
 20 15  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
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 20 15  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 11 12  2  0
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 13 18  1  0
 18 19  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
    3.5207   -1.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5793   -0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
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  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  3  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    4.3880    2.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1373    1.3394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4522    2.6775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  5  7  1  0
  5  8  1  0
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  9 10  2  0
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 12 13  2  0
 13 14  1  0
 14 15  2  0
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 16 17  2  0
 17 18  1  0
 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.9057   -1.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8432   -0.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9020    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6121    3.0297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  2  0
  6  9  1  0
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 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  3  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.7226    3.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9593    1.6502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0695   -2.5877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4327   -1.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5971   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6694   -2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  2  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
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 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  3  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.7226    3.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9593    1.6502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7949    0.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3938    1.2402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0316   -0.7766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5339   -1.1866    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0695   -2.5877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0017    0.2145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9350   -0.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0073    1.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4327   -1.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5971   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6694   -2.7935    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  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
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  7 10  1  0
 10 11  2  0
 11 12  1  0
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 13 14  1  0
 14 15  2  0
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 16 17  3  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    6.3746    1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3439    0.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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  4  5  1  0
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 10 11  2  0
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 17 18  2  0
 18 19  1  0
 19 20  3  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    5.7922   -0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3956   -0.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
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 10 11  2  0
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 15 16  1  0
 16 17  3  0
  5 18  1  0
 18 19  1  0
 18 20  2  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 13 14  1  0
 14 15  1  0
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 16 17  1  0
 13 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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   -2.2528   -1.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3982   -0.0984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
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 12 13  1  0
 13 14  1  0
 14 15  1  0
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 16 17  1  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.0263   -2.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0282   -1.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4434   -3.2778    0.0000 N   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
  5  6  1  0
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  2 10  1  0
 10 11  1  0
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 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  3  0
  9  4  1  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.5621   -2.7304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6194   -1.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7636    1.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9451    0.4382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3443   -1.6082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
  9 11  2  0
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 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  2  0
 16 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -0.2947   -3.0692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3569   -2.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9297   -0.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0331    0.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1944   -0.5595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8635    1.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3741    0.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    2.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0502   -1.8980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8846   -0.0582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
  9 11  2  0
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 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.2543    2.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3107    1.1120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 14 15  2  0
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 16 17  2  0
 17 18  1  0
 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.5754   -2.8104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5954   -1.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 14 15  1  0
 13 16  1  0
 16 17  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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    2.7185   -0.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9600    2.7670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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 14 15  1  0
 15 16  3  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    5.1564    2.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7334    1.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0
 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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   -2.0862   -1.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  2  0
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 21 16  1  0
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 21 16  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0
 19 20  3  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0
 17 18  3  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
    6.1011    0.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  3  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.0124   -3.2081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9771   -1.0630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
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 14 15  2  0
 14 16  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    7.8026   -0.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3887    0.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0
 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 17 18  3  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 16 17  3  0
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 15 10  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  3  4  2  0
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  5  6  1  0
  6  7  1  0
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  9 10  2  0
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 12 13  2  0
 13 14  1  0
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 16 17  2  0
 17 18  1  0
 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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  9 10  2  0
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 13 14  1  0
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 16 17  1  0
 17 18  2  0
 17 19  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0
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  2  5  1  0
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  6  7  1  0
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 10 11  2  0
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 15 16  2  0
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 17 18  2  0
 18 19  1  0
 19 20  3  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    5.3482    0.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2886   -0.6068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  2  0
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 13 14  1  0
 14 15  3  0
 13  8  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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    0.1970    3.0589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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 14 15  1  0
 15 16  3  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 21 15  1  0
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 21 15  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 20 15  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 16 17  1  0
 17 18  1  0
  8  3  1  0
 18 14  2  0
M  END
$$$$

     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 15 16  1  0
  8  3  1  0
 16 14  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    4.3432   -1.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
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  5  6  2  0
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 13 14  1  0
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 17 18  1  0
  8  3  1  0
 18 14  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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    3.9321    1.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  6
  5  6  1  0
  6  7  1  0
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 10 11  2  0
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 13 14  1  0
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 16 17  3  0
  4 18  1  0
 18 19  2  0
 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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 18 19  2  0
 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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 11 12  1  0
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 11  6  1  0
M  END
$$$$

     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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 12 13  2  3
 13 14  1  0
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M  END
$$$$

     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 12 13  1  0
 13 14  2  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 17 13  1  0
 21 13  1  0
 20 15  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 18 19  1  0
  8  3  1  0
 19 13  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 18 19  1  0
  8  3  1  0
 19 13  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.6106   -2.6839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0871   -1.4743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
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 17 18  2  0
  8  3  1  0
 17 13  1  0
M  END
$$$$

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.6231   -2.7826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
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 13 12  1  1
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 14 15  1  0
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 16 17  1  0
  8  3  1  0
 17 13  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.6106   -2.6839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
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 13 12  1  1
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 16 17  1  0
 17 18  1  6
  8  3  1  0
 17 13  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 13 12  1  6
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 17 18  1  0
 18 19  1  1
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 18 13  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 18 20  1  0
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M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 13 12  1  1
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 17 18  1  1
  8  3  1  0
 17 13  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
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 18 19  1  6
  8  3  1  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.6106   -2.6839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0871   -1.4743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
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  3  4  2  0
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  5  6  2  0
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 13 12  1  1
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 16 17  1  0
 17 18  2  0
  8  3  1  0
 17 13  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.6106   -2.6839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0871   -1.4743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
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 13 12  1  6
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  6
  8  3  1  0
 17 13  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    4.5357    0.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6912    2.4978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
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 13 12  1  1
 13 14  1  0
 14 15  1  0
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 16 17  1  0
 17 18  1  0
 18 19  1  1
  8  3  1  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    4.2607    1.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
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  3  4  2  0
  4  5  1  0
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 13 12  1  1
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 20 21  2  0
  8  3  1  0
 15 13  1  0
 21 16  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.6106   -2.6839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 13 12  1  6
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  8  3  1  0
 17 13  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  6
  8  3  1  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 12 13  1  0
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 13 16  1  0
 16 17  1  0
  8  3  1  0
 17 13  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
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  4  5  2  0
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  6 19  1  0
 19 20  1  0
 20  6  1  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 16 17  3  0
  5 18  1  0
 18 19  1  0
 19  5  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    1.3397   -1.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
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  5  6  2  0
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 13 14  1  0
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 17 18  1  0
  8  3  1  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.1213    0.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2997   -0.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2594   -1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  4  1  0
  4  5  2  0
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 13 14  3  0
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 17 18  1  0
 18  2  1  0
 12  7  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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  4  5  2  0
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 16 17  1  0
 17 18  1  0
 18 19  1  0
 19  2  1  0
 12  7  1  0
M  END
$$$$

     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
 21 13  1  0
 21 16  1  0
M  END
$$$$

     RDKit          2D

 17 19  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
 16 13  1  0
 17 13  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 18 20  1  0
  8  3  1  0
 17 13  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 13 14  1  0
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 16 18  1  0
 18 19  1  0
  8  3  1  0
 19 13  1  0
M  END
$$$$

     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
  8  3  1  0
 16 13  1  0
M  END
$$$$

     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    4.1444    1.7399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2004    0.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7025    0.4957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
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 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
  8  3  1  0
 21 13  1  0
 20 15  1  0
M  END
$$$$

     RDKit          2D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.0925    3.3703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0672    1.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
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  3  4  2  0
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  5  6  2  0
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  9 10  2  0
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 13 14  1  0
 15 14  1  6
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 18 17  1  6
 18 19  1  0
  8  3  1  0
 18 13  1  0
 19 15  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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  2  4  1  0
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  4  6  1  0
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 16 17  2  0
 17 18  1  0
 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    4.7388    0.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0
  4  5  1  1
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 17 18  1  0
 17 19  2  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.7226    3.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9593    1.6502    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  4  2  0
  3  5  1  0
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 10 11  2  0
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  5 18  1  0
 18 19  1  0
 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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    4.1998   -1.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  3  1  6
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 18 19  1  0
 19 20  3  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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    2.0516   -1.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8702    2.4324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  2  7  1  0
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  8 10  2  0
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 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  3  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -1.1255   -2.9876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3982   -0.0984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
  9 11  2  0
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 12 13  1  0
 13 14  1  0
 14 15  1  0
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 16 17  1  1
 16 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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   -1.3768   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8215   -0.2193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0332   -1.3008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5914   -1.7544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  6
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 16 17  1  0
 13 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    6.0141    0.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5501    0.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2910    3.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
  5  6  2  0
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  8 10  2  0
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 11 12  2  0
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 13 14  2  0
 14 15  1  0
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 16 17  1  0
 17 18  3  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    4.9451   -0.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7636   -1.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0
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 11 12  1  0
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 14 15  3  0
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 16 17  1  0
 16 18  2  0
 13  8  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.7255    1.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5306    0.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
  3  4  1  6
  3  5  1  0
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 10 11  1  0
 11 12  2  0
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 13 14  2  0
 14 15  1  0
 15 16  3  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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    3.7601    2.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0
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 13 14  1  0
 14 15  1  1
 14 16  1  0
 16 17  2  0
 16 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.5621   -2.7304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0
  4  5  1  0
  5  6  2  0
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 14 15  1  0
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 16 17  2  0
 16 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.2543    2.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3107    1.1120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6581    2.5133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
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  5  6  1  1
  6  7  1  0
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 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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    3.5132   -0.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0
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 17 18  1  0
 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    3.7041    2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    0.7685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1082    2.3734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  5  6  1  1
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 11 12  2  0
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 13 14  2  0
 14 15  1  0
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 16 17  1  0
 17 18  3  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    5.8031   -0.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3596    0.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0
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 17 18  1  0
 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    4.7388    0.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  2  4  1  0
  4  5  1  6
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  4 17  1  0
 17 18  1  0
 17 19  2  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.7226    3.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9593    1.6502    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  4  2  0
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 16 17  3  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    4.7388    0.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  2  0
 17 19  1  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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 19 20  3  0
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M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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    2.9593    1.6502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1571    2.7214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4327   -1.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5971   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6694   -2.7935    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  2  0
  3  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  2  0
  7  9  2  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  3  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.0183   -2.7279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1906   -1.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3629   -0.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7595   -1.4038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9318   -0.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3110    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1387    0.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7421    1.1741    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2895    2.5707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1714   -1.0858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6025   -0.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2059   -1.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7748   -1.6332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  1
 14 15  1  0
 15 16  2  0
 15 17  1  0
 13 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    5.4692   -0.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1998   -1.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9304   -1.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6036   -1.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1424    0.4589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7582    2.6575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3343   -1.9386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1074    1.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1620    2.5581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  4  3  1  1
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  4  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  2  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  3  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    6.3746    1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3439    0.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7722   -1.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8848    0.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8540   -0.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2823   -1.9175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3949   -0.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9665    1.3054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3641   -1.2219    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4416    1.2591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9825    0.9112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9517    2.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9209    3.0907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  6
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  2  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  3  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    5.7922   -0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3956   -0.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1714    1.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2233   -1.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8267   -0.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6544   -1.7215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2895   -2.5707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948    0.2224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1387   -0.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0183    2.7279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6025    0.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7748    1.6332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2059    1.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  2  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  3  0
  5 18  1  0
 18 19  1  0
 18 20  2  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    5.7922   -0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3956   -0.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1714    1.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2233   -1.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8267   -0.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6544   -1.7215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7421   -1.1741    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1948    0.2224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1387   -0.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3110   -1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0183    2.7279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7748    1.6332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  2  0
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  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  3  0
  5 18  1  0
 18 19  2  0
 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -1.1255   -2.9876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2528   -1.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3801   -1.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8007   -1.4901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9281   -0.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6348    0.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2142    1.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0868    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6662    0.9440    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4296   -0.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8502    0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1435    1.8806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9776   -0.5799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6843   -2.0510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3982   -0.0984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  6
 16 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.2287   -2.7777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3768   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2631    0.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8530    1.1415    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3647    2.5515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5570    1.6531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1152    1.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6733    0.7459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8215   -0.2193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4432   -0.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0332   -1.3008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5914   -1.7544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
  9 11  2  0
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 12 13  1  0
 13 14  1  1
 14 15  1  0
 15 16  1  0
 16 17  1  0
 13 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -0.7112   -2.9957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8019   -1.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
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  3  4  2  0
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  5  6  2  0
  6  7  1  0
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 13 14  1  0
 14 15  1  0
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 17 18  2  0
 17 19  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
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  5  6  2  0
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  9 10  2  0
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 12 13  1  0
 13 14  1  1
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 13 17  1  0
 17 18  2  0
 17 19  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    6.0141    0.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5501    0.6854    0.0000 C   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  4  1  6
  3  5  1  0
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 11 12  2  0
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 16 17  1  0
 17 18  3  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    4.9451   -0.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7636   -1.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
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 10 11  2  0
 11 12  1  0
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 13 14  1  0
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 16 17  1  0
 16 18  2  0
 13  8  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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   -1.3569   -2.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
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 13 14  1  0
 14 15  1  6
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 16 17  2  0
 16 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 12 13  1  0
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 16 17  2  0
 16 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    6.0411   -0.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 17  1  0
 17 18  2  0
 17 19  1  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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    1.0564    1.1970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6221   -1.3388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5352    0.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9844    1.8503    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0141   -0.3588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  1
 15 17  1  0
 17 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.5621   -2.7304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6194   -1.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7636    1.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9451    0.4382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7718   -1.2451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
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 12 13  1  0
 13 14  1  1
 14 15  1  0
 13 16  1  0
 16 17  1  0
 16 18  2  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    4.7198    2.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481    1.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1879    0.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8163   -0.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6047    0.7648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6561   -1.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8677   -2.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2394   -1.8883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2845   -2.2180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1901    1.9266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9785    1.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6068    1.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7648    2.2562    0.0000 N   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  6
  7  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  2  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  3  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.2543    2.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3107    1.1120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0408    0.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.0144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0971   -1.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1998   -2.6091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2015    0.0435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4780    0.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2081    1.6174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8818    0.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6118    1.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6581    2.5133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  6
  6  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
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 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.5621   -2.7304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6194   -1.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5912    0.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7612    2.5555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3610   -0.2267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1910    1.7255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3725    0.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7636    1.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9451    0.4382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1629   -0.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7718   -1.2451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3443   -1.6082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
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 12 13  1  0
 13 14  1  1
 14 15  1  0
 13 16  1  0
 16 17  2  0
 16 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
    4.8858    0.8223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8973   -0.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3802   -1.7261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2582    0.6211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5051   -0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4936   -1.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9994    1.9901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0109    3.1183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  2  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  3  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
    4.0008   -1.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6312   -0.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4775    0.9111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9518    2.6714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6909    1.4478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  2  0
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 11 12  2  0
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 13 14  3  0
  2 15  1  0
 15 16  1  0
 15 17  2  0
 12  7  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    5.1564    2.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7334    1.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0
 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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    3.6429    0.7685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  3  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 13 14  3  0
  2 15  1  0
 15 16  2  0
 15 17  1  0
 12  7  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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    3.8603    1.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
  3  4  1  6
  3  5  1  0
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 18 19  1  0
 19 20  3  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    5.4649   -1.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9836   -1.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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 18 19  1  0
 18 20  2  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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    3.9836   -1.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 18 20  1  0
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 17 18  2  0
 17 19  1  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.3892   -3.0354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 12 13  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0
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 13  8  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 10 11  1  0
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 14 15  1  0
 15 16  3  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
  2  3  1  0
  3  4  1  0
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 13 14  2  0
 14 15  1  0
 15 16  3  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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    5.0023    1.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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 19 20  2  0
  8  3  1  0
 20 15  1  0
M  END
$$$$

     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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    0.8174    3.1472    0.0000 N   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  2  0
  4  7  1  0
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  8  9  1  0
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 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  3  0
 12  7  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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  5  6  2  0
  6  7  1  0
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 14 15  2  0
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 16 17  2  0
 17 18  1  0
 18 19  2  0
  8  3  1  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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  3  4  2  0
  4  5  1  0
  5  6  2  0
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  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
 19 15  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
 19 15  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 19 15  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 18 19  2  0
  8  3  1  0
 19 15  1  0
M  END
$$$$

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 12 13  1  0
 13 14  1  0
 14 15  1  0
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 16 17  1  0
  8  3  1  0
 17 13  1  0
M  END
$$$$

     RDKit          2D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
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  8  3  1  0
 20 13  1  0
 19 15  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  8  3  1  0
 19 15  2  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
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  8  3  1  0
 17 13  2  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 17 12  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
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 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
  8  3  1  0
 19 13  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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 13 14  1  0
 14 15  1  0
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 17 18  1  6
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 19 20  2  0
  8  3  1  0
 19 12  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.2582    3.3539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
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 13 12  1  1
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 19 20  2  0
  8  3  1  0
 19 13  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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   -1.7503   -2.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8882    2.5949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
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  3  4  2  0
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 13 14  1  0
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 16 17  2  0
 17 18  1  0
  8  3  1  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.4427   -2.7269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4912    1.4811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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 13 14  2  0
 14 15  1  0
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 17 18  1  0
  8  3  1  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
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 18 19  2  0
  8  3  1  0
 18 12  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 13 12  1  6
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 18 19  2  0
  8  3  1  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 17 19  2  0
  8  3  1  0
 16 12  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0
  9 10  2  0
  9 11  2  0
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 12 13  1  0
 13 14  2  0
 15 13  1  6
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 16 17  1  0
 17 18  1  0
 18 19  1  0
  8  3  1  0
 19 15  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
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 10 11  2  0
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 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  3  0
 18 13  1  0
M  CHG  1   2   1
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  2  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  3  0
 18 13  1  0
M  CHG  1   2   1
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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   -3.3372   -1.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
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 10 11  2  0
 10 12  2  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
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 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  3  0
  6 21  2  0
 21  2  1  0
 18 13  1  0
M  CHG  1   2   1
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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   -3.5994   -0.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
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  2  5  1  0
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  6  7  1  0
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  7 10  1  0
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 13 14  1  0
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 16 17  3  0
  5 18  1  0
 18 19  2  0
 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -0.2593   -3.1328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2362   -1.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
    5.9785    1.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9981    0.7288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 11 12  2  0
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 17 18  3  0
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 16 11  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  3  4  2  0
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 17 18  3  0
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 19 20  1  0
 19 21  1  0
 19 22  1  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 16 18  1  0
 16 19  1  0
 13  8  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 14 16  1  0
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 20 21  2  0
 20 22  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 16 17  2  0
 16 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 13 15  1  0
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 20 21  2  0
  8  3  1  0
 21 16  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0
 14 15  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 17 12  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 20 15  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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 22 16  1  0
M  END
$$$$

     RDKit          2D

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 21 15  1  0
M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 23 17  1  0
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 17 18  1  0
 18 19  2  0
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 19 21  1  0
 21 22  2  0
  8  3  1  0
 22 16  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
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 19 20  2  0
  8  3  1  0
 20 14  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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  8  9  1  0
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 19 20  2  0
  8  3  1  0
 20 14  1  0
M  END
$$$$

     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
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  4  7  1  0
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  8  9  1  0
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 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  3  0
 12  7  1  0
M  END
$$$$

     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  3  0
 11  6  1  0
M  END
$$$$

     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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  9 10  2  0
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 12 13  1  0
 13 14  2  0
  8  3  1  0
M  CHG  1  14   1
M  END
$$$$

     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0
  8  3  1  0
M  CHG  1  12   1
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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 14 15  1  0
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 13 18  1  0
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 18 20  1  0
  8  3  1  0
M  CHG  1  20  -1
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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    0.2059   -1.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7748   -1.6332    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  1
 14 15  1  0
 15 16  2  0
 15 17  1  0
 13 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  CHG  1  20  -1
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.6107   -3.0638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4489   -2.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5085   -0.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9578   -1.3272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0174   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6278    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1785    1.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1189    0.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3304    0.8949    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0564    2.3442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172   -0.5544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7797    1.2817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8393    0.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2886    0.6068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3482   -0.4549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    0.7542   -2.3681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862   -1.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9266   -1.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1799   -1.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5203   -1.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6075    0.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3542    1.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0138    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7605    1.3001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5848    2.5534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0637    0.0468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4927    2.1243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8331    1.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0864    2.2753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9203   -0.0464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2607   -0.7196    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -2.0601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9340    0.6208    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
    4.6012   -1.3929    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
  8  3  1  0
M  CHG  2  18  -1  19  -1
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.0183   -2.7279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1906   -1.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3629   -0.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7595   -1.4038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9318   -0.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7076    1.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3110    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1387    0.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7421    1.1741    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2895    2.5707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.2224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6544    1.7215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8267    0.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2233    1.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3956    0.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1714   -1.0858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7922    0.9448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6025   -0.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2059   -1.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7748   -1.6332    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 13 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  CHG  1  20  -1
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    4.1004   -0.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6113   -0.6657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7108    0.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2995    1.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7886    2.0936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3990    3.1132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0226   -2.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9231   -3.2450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5334   -2.2254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3671   -1.0257    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5667   -1.9262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8326   -0.1253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2675    0.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6789    1.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5793    2.7532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0685    2.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6572    1.1935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7567   -0.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3454   -1.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9340   -2.7654    0.0000 N   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
  2  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  2  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  3  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    4.1004   -0.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6113   -0.6657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7108    0.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2995    1.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7886    2.0936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3990    3.1132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0226   -2.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9231   -3.2450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5334   -2.2254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3671   -1.0257    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5667   -1.9262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8326   -0.1253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2675    0.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6789    1.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6572    1.1935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7567   -0.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3454   -1.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9340   -2.7654    0.0000 N   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
  2  7  1  0
  7  8  1  0
  7  9  2  3
  9 10  1  0
 10 11  2  0
 10 12  2  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  3  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    4.1004   -0.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6113   -0.6657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7108    0.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2995    1.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7886    2.0936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3990    3.1132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0226   -2.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5334   -2.2254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6572    1.1935    0.0000 N   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  4  1  0
  4  5  2  0
  4  6  1  0
  2  7  1  0
  7  8  2  0
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 10 11  2  0
 10 12  2  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  3  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    4.1004   -0.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6113   -0.6657    0.0000 N   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  4  1  0
  4  5  2  0
  4  6  1  0
  2  7  1  0
  7  8  1  0
  7  9  2  3
  9 10  1  0
 10 11  2  0
 10 12  2  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  3  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    4.1004   -0.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6113   -0.6657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  4  5  2  0
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 17 18  3  0
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M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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 21 22  3  0
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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 21 22  3  0
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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    4.1965    1.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  2 15  1  0
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 19 20  2  0
 12  7  1  0
 20 15  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 16 17  3  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
    4.9191    1.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0350    2.4979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
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 13 14  1  0
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 16 17  3  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 15 16  2  0
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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   -2.6051    1.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  3  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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    3.4202    0.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  3  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 17 18  3  0
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M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 12 13  1  0
 13 14  1  0
 13 15  2  0
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 16 17  1  0
 16 18  2  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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    4.2867   -1.4089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
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 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.2243   -0.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0777    0.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4179    3.3425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  2  7  1  0
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  8  9  1  0
  8 10  2  0
  7 11  1  0
 11 12  2  0
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 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  3  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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    3.7335   -0.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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 17 18  3  0
  2 19  1  0
 19 20  2  0
 19 21  1  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0
 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    5.3081   -1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3267   -0.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  2  0
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 17 18  1  0
 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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    3.6491   -0.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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 12 13  2  0
 13 14  1  0
 14 15  2  0
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 17 18  1  0
 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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  3  4  2  0
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  5  6  2  0
  6  7  1  0
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 12 13  1  0
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 17 18  2  0
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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  3  4  2  0
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  5  6  2  0
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 12 13  2  3
 13 14  1  0
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 17 18  2  0
 17 19  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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    6.5842   -1.0400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  9 10  2  0
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 13 14  2  0
 13 15  1  0
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 16 17  1  0
 17 18  2  0
 17 19  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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    1.7201   -3.1470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
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  6 11  1  0
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 20 21  3  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0
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 12  7  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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 17 18  2  0
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 19 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  9 10  2  0
  9 11  2  0
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 12 13  1  0
 13 14  1  0
 14 15  2  0
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 12 17  1  0
 17 18  1  0
 17 19  2  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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    6.5842   -1.0400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
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 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.6833   -1.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6455    2.6672    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  1  0
  5  6  1  0
  5  7  2  0
  4  8  1  0
  8  9  2  0
  8 10  2  0
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 11 12  2  0
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 13 14  2  0
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 16 17  1  0
 17 18  3  0
  2 19  1  0
 19 20  2  0
 19 21  1  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
    5.8742    1.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9038    0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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 11 12  2  0
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 17 18  3  0
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 19 20  2  0
 19 21  1  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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  3  4  1  0
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 16 17  1  0
 17 18  3  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 11 12  2  0
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 16 17  1  0
 17 18  3  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
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 13 14  1  0
 14 15  1  0
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 12 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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    7.6738   -0.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2455   -0.8948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
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 19 20  1  0
 20 21  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 12 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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    9.5757   -0.2353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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   -3.0418   -1.7142    0.0000 C   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  4  1  0
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 17 18  1  0
 18 19  3  0
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 15 10  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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  3  4  2  0
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 21 22  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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   11.1106   -0.2580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  1  0
 21 22  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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  5  6  2  0
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 16 17  1  0
 17 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 17 18  1  0
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 17 18  1  0
 18 19  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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 16 17  3  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 16 17  3  0
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 17 18  3  0
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 17 18  3  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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 19 20  1  0
 20 21  3  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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 19 14  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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$$$$

     RDKit          2D

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$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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 16 17  2  0
 17 18  1  0
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 19 20  1  0
 20 21  2  0
  8  3  1  0
 21 16  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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    4.1975   -1.2194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
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 20 16  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 20 16  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 14 15  1  0
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 22 17  1  0
M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 22 17  1  0
M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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    4.7718    0.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
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  3  4  2  0
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 17 18  2  0
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 19 20  2  0
 20 21  1  0
 21 22  2  0
  8  3  1  0
 22 17  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.2368   -3.1615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
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 14 16  1  0
 16 17  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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    6.1011   -0.5424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
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 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    5.2792   -0.9465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2782    0.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2771    1.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3066    3.0394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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  2  5  1  0
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 18 19  1  0
 19 20  3  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0
 19 20  3  0
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    6.1607    0.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7065    0.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  2  0
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 17 18  3  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    6.7872    1.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7238    0.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  3  0
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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 22 23  2  0
  8  3  1  0
 23 18  1  0
M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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 14 15  2  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 22 14  1  0
M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 13 14  1  0
 14 15  2  0
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 17 18  1  0
 18 19  2  0
  8  3  1  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    3.4758    1.1989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
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 14 15  2  0
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 17 18  1  0
 18 19  2  0
  8  3  1  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.1411   -3.2456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0482   -2.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5782    1.2798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
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 13 14  1  0
 14 15  2  0
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 17 18  1  0
 18 19  2  0
  8  3  1  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    3.4758    1.1989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
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 14 15  2  0
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 18 19  2  0
  8  3  1  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    3.5782    1.2798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
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 13 14  1  0
 14 15  2  0
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 18 19  2  0
  8  3  1  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.2931   -2.9085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4758    1.1989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
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 14 15  2  0
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 18 19  2  0
  8  3  1  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 23 18  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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 22  3  1  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 22  3  1  0
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0
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M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 18 19  3  0
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
  8  3  1  0
 22 17  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 16 17  3  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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    4.5669   -0.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  2  0
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 16 17  1  0
 17 18  3  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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    4.2867   -1.4089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
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 16 17  1  0
 16 18  2  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    7.7518   -0.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3397    0.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 18 19  1  0
 19 20  3  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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    5.5991   -0.6659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  3  0
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 17 19  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
   -1.4325   -2.9492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 19 20  1  0
 19 21  2  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 17 18  3  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
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 10 11  1  0
 11 12  2  0
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 13 14  2  0
 14 15  1  0
 15 16  3  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 17 18  2  0
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 19 20  2  0
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 21 22  2  0
  8  3  1  0
 22 17  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 13 14  2  0
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 17 18  2  0
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  2  4  1  0
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  5  6  1  1
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 17 18  1  0
 18 19  3  0
  5  2  1  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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 18 19  3  0
  5  2  1  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0
  8  3  1  0
 19 15  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 19 20  1  0
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 20 15  1  0
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 19 20  1  0
 20 21  1  0
  8  3  1  0
 21 15  1  0
M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 21 22  2  0
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 22 17  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0
 13 15  2  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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    0.3687    2.8802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  3  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 11 12  2  0
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 13 14  2  0
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 16 17  1  0
 17 18  3  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    6.7498    0.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5991   -0.6659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0
 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
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 17 18  2  0
 18 19  1  0
 19 20  3  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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    2.0193   -1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  3  0
  2 19  1  0
 19 20  2  0
 19 21  1  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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    3.2311    0.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 16 17  3  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 13 18  1  0
 18 19  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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    3.0576   -1.8765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
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  5  6  2  0
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 13 18  1  0
 18 19  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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    3.0576   -1.8765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
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  3  4  2  0
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  5  6  2  0
  6  7  1  0
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  9 10  2  0
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 13 16  1  0
 16 17  1  0
 13 18  1  0
 18 19  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    3.2870   -2.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4117   -0.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7465    2.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
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 16 17  1  0
 17 18  3  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.0909   -1.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1762   -0.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1671    1.5975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  3  4  1  0
  2  5  1  0
  5  6  1  0
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 17 18  2  0
 17 19  1  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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    0.7175    2.8358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
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 10 11  2  0
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 13 14  1  0
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 15 16  1  0
 16 17  3  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
    4.8302    1.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6642    0.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0
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 15 16  1  0
 16 17  3  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    3.2597   -1.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3022   -0.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  2  0
 16 18  1  0
 13  8  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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   -3.9751   -1.0853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  2  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  3  0
  2 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 13  8  1  0
 21 16  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.8687    0.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5020   -0.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6827    2.2040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
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  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  3  0
  5 18  1  0
 18 19  2  0
 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
    4.1721    1.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3059    0.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9334   -1.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4271   -1.4324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0509    2.7927    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  2  0
  3  5  1  0
  2  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  2  0
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 11 12  2  0
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 13 14  2  0
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 16 17  1  0
 17 18  3  0
  6 19  1  0
 19 20  2  0
 19 21  1  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    4.7388    0.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0391   -2.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9219    2.0936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  2  0
  6  9  1  0
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 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
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  4 17  1  0
 17 18  2  0
 17 19  1  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.7748    1.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6025    0.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0
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  6  8  1  0
  4  9  1  0
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 15 16  2  0
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 17 18  2  0
 18 19  1  0
 19 20  3  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
    3.6909    1.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4763    0.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9518    2.6714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
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 10 11  2  0
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 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  3  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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    4.4277    0.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  3  0
  5 18  1  0
 18 19  2  0
 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    5.8131    0.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6108   -0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  2  0
 17 19  1  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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    6.4250   -0.7587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
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 13 14  2  0
 13 15  1  0
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 16 17  1  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
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 13 14  1  0
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 18 19  2  0
 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  3  4  1  0
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 10 11  2  0
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 13 14  2  0
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 17 18  2  0
 18 19  1  0
 19 20  3  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 14 15  1  0
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 13 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 19 20  2  0
 19 21  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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    2.0516   -1.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  3  0
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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 22 23  2  0
  8  3  1  0
 23 18  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0
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 17 12  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  5 18  1  0
 18 19  2  0
 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 13 14  2  0
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 16 17  1  0
 17 18  3  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 20 21  2  0
 20 22  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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 19 20  3  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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 18 19  3  0
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 20 22  1  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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 19 21  1  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 16 17  3  0
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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  3  4  1  0
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  4 17  1  0
 17 18  2  0
 17 19  1  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 15 16  1  0
 16 17  3  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.5621   -2.7304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6194   -1.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3443   -1.6082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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 13 14  1  0
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 16 17  2  0
 16 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    4.7593    0.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6936   -0.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0367    2.9824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  2  0
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 13 14  2  0
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 15 16  2  0
 16 17  1  0
 17 18  3  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    6.8231    0.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6753   -0.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    6.0643   -0.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  3  0
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 16 17  3  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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$$$$

     RDKit          2D

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$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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  3  4  1  0
  3  5  1  0
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 15 16  1  0
 16 17  3  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    4.2295    1.8857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4381    0.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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  4  5  1  0
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 13 14  1  0
 14 15  3  0
  2 16  1  0
 16 17  2  0
 16 18  1  0
 13  8  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    4.9771    1.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0236   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  2  4  1  0
  4  5  1  0
  5  6  1  0
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 13 14  2  0
 14 15  1  0
 15 16  3  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
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 10 11  2  0
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 20 21  2  0
 13  8  1  0
 21 16  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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    5.0945    1.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  3  4  1  0
  4  5  1  0
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  4 18  1  0
 18 19  1  0
 19 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    5.7357    1.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2497    1.2371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3 17  1  0
 17 18  1  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 16 17  2  0
 16 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 17 18  2  0
 17 19  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 22 16  1  0
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0
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  4  5  1  0
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  4 19  1  0
 19 20  1  0
 20 21  1  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 16 17  3  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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    6.6417   -1.1515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
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  3  4  2  0
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 16 17  2  0
 16 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0
 19 20  3  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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    6.5877    1.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 21 22  1  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 17 19  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    9.5757    0.2353    0.0000 C   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  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 10 11  2  0
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 13 14  2  0
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 18 19  1  0
 19 20  3  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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    9.5757   -0.2353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 13 14  1  0
 14 15  1  0
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 16 17  1  0
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 18 19  1  0
 19 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    8.6686    0.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5185   -0.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9355    2.9619    0.0000 N   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  1  0
  5  6  1  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
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 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -0.9355   -2.9619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0856   -1.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6686   -0.8376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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 13 14  1  0
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 16 17  1  0
 17 18  1  0
 18 19  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -0.9355   -2.9619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0856   -1.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6686   -0.8376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 17 18  1  0
 18 19  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    7.9985    0.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5737    0.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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 11 12  2  0
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 17 18  3  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0
 17 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 22 17  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
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 20 21  2  0
  8  3  1  0
 21 15  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
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 13 14  1  0
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 19 20  2  0
  8  3  1  0
 20 15  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 19 20  2  0
  8  3  1  0
 20 15  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  8  3  1  0
 20 15  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 19 20  1  0
  8  3  1  0
 20 15  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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  6  7  1  0
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 13 14  1  0
 14 15  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0
 14 15  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 21 16  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 21 14  1  0
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 20 14  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 23 14  1  0
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M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 19  2  1  0
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M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0
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 18 14  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0
  8  3  1  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
 21 14  1  0
M  END
$$$$

     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 16 14  1  0
M  END
$$$$

     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 19 14  1  0
M  END
$$$$

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 17 14  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  6 20  1  0
 20  2  1  0
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M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0
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 18 14  1  0
M  END
$$$$

     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 23 14  1  0
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 16 18  1  0
 13  8  1  0
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  0
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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 13  8  1  0
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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 22 23  2  0
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 23 18  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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  8  3  1  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 19 13  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 18 13  1  0
M  END
$$$$

     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 21 13  1  0
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M  END
$$$$

     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 19  2  1  0
 13  8  1  0
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M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0
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 18 13  1  0
M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 22 23  1  0
 23  2  1  0
 12  7  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 18 19  1  0
  8  3  1  0
 19 13  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
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 20 15  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 20 13  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0
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 19 13  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 20  3  1  0
 13  8  1  0
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 21 13  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 20 13  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 17  2  1  0
 12  7  1  0
M  END
$$$$

     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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    3.4533   -0.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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  8  9  1  0
  9 10  2  0
  9 11  2  0
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 12 13  1  0
 13 14  1  0
 14 15  1  0
  8  3  1  0
 15 13  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0
  4  5  1  0
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  6  7  1  0
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  7 10  1  0
 10 11  2  0
 11 12  1  0
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 16 17  3  0
  5 18  1  0
 18 19  1  0
 19  2  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0
 14 15  1  0
 15 16  1  0
  8  3  1  0
 16 13  1  0
M  END
$$$$

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
  8  3  1  0
 17 13  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 13 14  1  0
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 17 18  1  0
  8  3  1  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 19 13  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 20 13  1  0
M  END
$$$$

     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 22 13  1  0
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M  END
$$$$

     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 21 16  1  0
 11  6  1  0
M  END
$$$$

     RDKit          2D

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 21 13  1  0
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M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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  8  3  1  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 21 13  1  0
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M  END
$$$$

     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 16 13  1  0
M  END
$$$$

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 17 13  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  ISO  3   1  12   2  12  15  12
M  END
$$$$

     RDKit          2D

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M  ISO  1  13  12
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  1
 14 15  1  0
 15 16  2  0
 15 17  1  0
 13 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  ISO  4  13  14  14  14  15  14  18  14
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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   -3.0715   -1.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4940   -2.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7380    0.4680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  6
  4  6  1  0
  6  7  1  0
  7  8  2  0
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  7 10  1  0
 10 11  2  0
 11 12  1  0
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 14 15  2  0
 15 16  1  0
 16 17  3  0
  4 18  1  0
 18 19  2  0
 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.5160    2.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8357    1.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1514    1.1936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  4  5  1  6
  4  6  1  0
  6  7  1  0
  7  8  2  0
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  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
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 16 17  3  0
  4 18  1  0
 18 19  2  0
 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    1.8672    3.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4877    1.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6152    0.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7468    1.2301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  6
  4  6  1  0
  6  7  1  0
  7  8  2  0
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  7 10  1  0
 10 11  2  0
 11 12  1  0
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 13 14  1  0
 14 15  2  0
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 16 17  3  0
  4 18  1  0
 18 19  2  0
 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.8687    0.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5020   -0.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
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 16 17  3  0
  5 18  1  0
 18 19  2  0
 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    1.7122    1.4406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2094    0.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1578   -0.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  2  0
  4  7  1  0
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 10 11  1  0
 11 12  2  0
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 13 14  3  0
  2 15  1  0
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 15 18  1  0
 12  7  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.6827    2.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6379    1.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0
 17 19  1  0
 17 20  1  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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    3.6667   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  2  0
 17 19  1  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
    3.6909    1.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4763    0.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
  2  4  1  0
  4  5  1  6
  4  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  2  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  3  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.7495   -2.9443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8455   -1.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9415   -0.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1677    1.0022    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4250   -0.7587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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  8  9  1  0
  9 10  2  0
  9 11  2  0
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 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  6
 16 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.0183   -2.7279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1906   -1.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7748   -1.6332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
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 12 13  1  0
 13 14  1  6
 14 15  1  0
 15 16  1  0
 15 17  2  0
 13 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.7495   -2.9443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8455   -1.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4250   -0.7587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
  9 11  2  0
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 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  6
 16 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.0183   -2.7279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7748   -1.6332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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  8  9  1  0
  9 10  2  0
  9 11  2  0
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 12 13  1  0
 13 14  1  6
 14 15  1  0
 15 16  1  0
 15 17  2  0
 13 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.7495   -2.9443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8455   -1.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
  2  3  1  0
  3  4  2  0
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 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  6
 16 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
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 12 13  1  0
 13 14  1  6
 14 15  1  0
 15 16  1  0
 15 17  2  0
 13 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
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 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  6
 16 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 17 18  3  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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 17 18  2  0
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 16 17  2  0
 16 18  1  0
 13  8  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 14 15  1  0
 15 16  3  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 20 21  2  0
 13  8  1  0
 21 16  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 20 15  1  0
M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0
  4  5  1  0
  5  6  2  0
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 19 20  2  0
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 21 22  2  0
 21 23  1  0
  8  3  1  0
 20 15  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 15 16  1  0
 16 17  3  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.5621   -2.7304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
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  3  4  2  0
  4  5  1  0
  5  6  2  0
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 13 14  1  6
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 16 17  2  0
 16 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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    3.5132   -0.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  2  0
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 17 18  1  0
 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    4.7593    0.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6936   -0.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  1  0
 17 18  3  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    5.8047   -0.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4071   -0.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0
 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 18 19  3  0
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0
 17 18  3  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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    3.8235   -1.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0
M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 21 22  2  0
 12  7  1  0
 22 17  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  4  5  2  0
  4  6  2  0
  4  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
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 13 14  3  0
  2 15  1  0
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 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 12  7  1  0
 22 17  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -4.5591   -0.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4940   -2.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9928   -1.5819    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
  2  4  1  0
  4  5  1  1
  4  6  1  0
  6  7  1  0
  7  8  2  0
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  7 10  1  0
 10 11  2  0
 11 12  1  0
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 13 14  1  0
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 16 17  3  0
  4 18  1  0
 18 19  2  0
 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    1.8672    3.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4877    1.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6152    0.4824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7468    1.2301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  1
  4  6  1  0
  6  7  1  0
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  7 10  1  0
 10 11  2  0
 11 12  1  0
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 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  3  0
  4 18  1  0
 18 19  2  0
 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.8687    0.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5020   -0.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0
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  6  7  1  0
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  7 10  1  0
 10 11  2  0
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 16 17  3  0
  5 18  1  0
 18 19  2  0
 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    1.7122    1.4406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2094    0.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6874    1.1335    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1578   -0.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  2  0
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 15 18  1  0
 12  7  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    4.7388    0.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  5  6  1  0
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 10 11  1  0
 11 12  2  0
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 17 18  2  0
 17 19  1  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
    3.6909    1.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4763    0.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6588    0.1769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3225   -0.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  2  0
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 13 14  1  0
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 15 16  1  0
 16 17  3  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    5.8131    0.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6108   -0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0
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 17 18  2  0
 17 19  1  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    5.8131    0.3277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6108   -0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0431    0.2002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  3  0
  4 17  1  0
 17 18  2  0
 17 19  1  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.7495   -2.9443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8455   -1.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1677    1.0022    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4250   -0.7587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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  9 10  2  0
  9 11  2  0
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 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.0183   -2.7279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6025   -0.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7748   -1.6332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
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 12 13  1  0
 13 14  1  1
 14 15  1  0
 15 16  1  0
 15 17  2  0
 13 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.7495   -2.9443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8455   -1.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4250   -0.7587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
  9 11  2  0
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 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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    2.7748   -1.6332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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  8  9  1  0
  9 10  2  0
  9 11  2  0
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 12 13  1  0
 13 14  1  1
 14 15  1  0
 15 16  1  0
 15 17  2  0
 13 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.7495   -2.9443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8455   -1.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
  2  3  1  0
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 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.0183   -2.7279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
  2  3  1  0
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 13 14  1  1
 14 15  1  0
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 15 17  2  0
 13 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 13 14  2  0
 13 15  1  0
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 16 17  1  1
 16 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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 17 18  3  0
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 19 20  2  0
 19 21  1  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0
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 16 17  3  0
  5 18  1  0
 18 19  2  0
 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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  6  7  1  6
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 20 21  3  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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 17 18  3  0
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 16 11  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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  3  4  2  0
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 16 17  2  0
 16 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0
 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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    3.6936   -0.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  2  0
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 13 14  2  0
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 16 17  1  0
 17 18  3  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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   -1.1833   -1.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8047    0.8684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
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  3  4  2  0
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  5  6  2  0
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  8  9  1  0
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 13 14  1  6
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 16 17  1  0
 17 18  2  0
 17 19  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    5.8047   -0.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4071   -0.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0
 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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    5.6753   -0.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0
 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    6.0643   -0.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  1  0
 17 18  3  0
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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    3.8235   -1.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 10  1  0
M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 21 16  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0
M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 22  3  1  0
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 17 18  2  0
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 21 22  2  0
  8  3  1  0
 22 17  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    5.0741    0.2804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
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 18 19  1  0
  8  3  1  0
 19 17  1  0
M  END
$$$$

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  6
  2  3  1  0
  3  4  1  0
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 16 17  1  0
 12  7  1  0
 17 15  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0
 20 15  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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 19 21  1  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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 15 10  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  6
  2  3  1  0
  2  4  1  0
  4  5  1  1
  4  6  1  0
  6  7  1  6
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 11 12  2  0
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  6 19  1  0
 19 20  2  0
 19 21  1  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  1
  3  5  1  0
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 18 19  2  0
 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  4 17  1  0
 17 18  2  0
 17 19  1  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0
 19 20  3  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    3.3443    1.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  3  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 22 23  2  0
  8  3  1  0
 23 18  1  0
M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0
  3  4  1  0
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 21 22  2  0
 12  7  1  0
 22 17  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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 18 19  2  0
 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    4.7388    0.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  9  1  0
M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0
 22 17  1  0
M  END
$$$$

     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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 12 13  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.3892   -3.0354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
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   -1.0843   -1.3844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4432   -1.9860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  1
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  2  0
 13 21  1  0
 21 22  2  0
 21 23  1  0
  8  3  1  0
M  CHG  2  19   1  20  -1
M  END
$$$$

     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
   -1.4316   -2.8436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5217   -1.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.1392   -0.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2644    0.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6302    0.1580    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.3531   -0.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0843   -1.3844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4432   -1.9860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  1
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  2  0
 13 21  1  0
 21 22  2  0
 21 23  1  0
  8  3  1  0
M  CHG  2  19   1  20  -1
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -0.3915   -2.9332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5572   -1.9892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5504   -0.4265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8785    1.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0443    0.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4446    0.6986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6103   -0.2454    0.0000 N   0  0  0  0  0  4  0  0  0  0  0  0
    7.7761   -1.1894    0.0000 N   0  0  0  0  0  2  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  2  0
  8  3  1  0
M  CHG  2  17   1  18  -1
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -0.8756   -3.4687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4986   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2379    0.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3677    1.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2515    0.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8511   -1.3105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6051    1.4185    0.0000 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.9820    2.7830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0983    1.2758    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 12 16  1  0
 16 17  2  0
 16 18  1  0
  8  3  1  0
M  CHG  2  16   1  18  -1
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.8702   -2.4324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4516   -1.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3703   -1.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4171    0.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1420    1.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8202    0.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5452    1.2753    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3354    2.5503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2449    0.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7298    2.0654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0516    1.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0984   -0.1429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4202   -0.8520    0.0000 N   0  0  0  0  0  4  0  0  0  0  0  0
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    3.4670   -2.3513    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  2  3
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
  8  3  1  0
M  CHG  2  16   1  18  -1
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.8702   -2.4324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4516   -1.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4171    0.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1420    1.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8202    0.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5452    1.2753    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3354    2.5503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2449    0.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4670   -2.3513    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
  8  3  1  0
M  CHG  2  16   1  18  -1
M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -1.8155   -3.3926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6070   -2.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2224    3.2684    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
  8  3  1  0
 20 15  1  0
M  CHG  2  21   1  23  -1
M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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    5.1045    1.6280    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
  8  3  1  0
 19 14  1  0
M  CHG  2  20   1  22  -1
M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.8124   -3.4769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5985   -2.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  3  1  0
 19 14  1  0
M  CHG  2  20   1  22  -1
M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 19 23  2  0
  8  3  1  0
 23 15  1  0
M  CHG  2  20   1  22  -1
M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0
 19 20  2  0
 19 21  1  0
 18 22  1  0
 22 23  2  0
  8  3  1  0
 23 15  1  0
M  CHG  2  19   1  21  -1
M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 18 19  2  0
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 21 22  2  0
  8  3  1  0
 22 14  1  0
M  CHG  2  18   1  20  -1
M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 21 22  2  0
  8  3  1  0
 22 14  1  0
M  CHG  2  18   1  20  -1
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 14 15  2  0
 14 16  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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    3.7255   -1.6043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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    4.9771   -1.0630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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    2.6590   -1.1401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  2  3
 13 14  1  0
 13 15  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.8458   -3.0008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2285   -1.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4722    0.7206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
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    0.3167   -1.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3839    0.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0605    0.9196    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6560    2.3640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5775    0.2754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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    4.2569   -3.0749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 15 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
  8  3  1  0
M  CHG  2  19   1  20  -1
M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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   -3.1845   -1.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3313    1.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3386    2.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8796    3.6205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 12 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 16 20  1  0
 20 21  1  0
 21 22  1  0
  8  3  1  0
M  CHG  2  12   1  13  -1
M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 15 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
  8  3  1  0
M  CHG  2  18   1  20  -1
M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
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 16 17  1  0
 17 18  1  0
 15 19  1  0
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 21 22  2  0
  8  3  1  0
M  CHG  2  12   1  20  -1
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 12 13  1  0
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 13 15  1  0
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  8  3  1  0
M  CHG  1  17  -1
M  END
$$$$

     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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  8  9  1  0
  9 10  1  0
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  8  3  1  0
M  CHG  1  10   1
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
  8  3  1  0
 21 15  1  0
M  CHG  2  19   1  20  -1
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 20 21  3  0
  6  2  1  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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 19 20  1  0
  8  3  1  0
 20 15  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0
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 17 18  1  0
  8  3  1  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0
 18 19  1  0
  8  3  1  0
 19 13  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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  5  6  2  0
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 13 12  1  6
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 18 19  2  0
  8  3  1  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 20 21  1  0
  8  3  1  0
 21 13  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 19  2  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 21 22  1  0
 22  2  1  0
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 21 16  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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 18 13  1  0
M  END
$$$$

     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 19 20  3  0
  7  3  1  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
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 18 13  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
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 18 13  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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M  END
$$$$

     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 17 12  1  0
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M  END
$$$$

     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 23 13  1  0
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M  END
$$$$

     RDKit          2D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 19 15  1  0
M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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     RDKit          2D

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     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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$$$$

     RDKit          2D

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$$$$

     RDKit          2D

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$$$$

     RDKit          2D

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     RDKit          2D

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$$$$

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 11  2  1  0
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
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 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 15 19  1  0
 19 20  1  0
  8  3  1  0
 20 12  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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    3.5214    1.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
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 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
  8  3  1  0
 20 15  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.3534   -3.4675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0843   -2.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1837   -0.9791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7221    1.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
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 12 13  1  0
 13 14  1  0
 14 15  1  0
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 16 17  1  0
 15 18  1  0
 18 19  1  0
  8  3  1  0
 19 12  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.1411   -3.2456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5782    1.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
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  5  6  2  0
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 13 14  1  0
 14 15  1  0
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 16 17  1  0
 17 18  1  0
 18 19  1  0
  8  3  1  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    2.1477    1.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
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  5  6  2  0
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 13 14  1  0
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 17 18  1  0
  8  3  1  0
 18 12  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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   -0.7720   -1.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
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  3  4  2  0
  4  5  1  0
  5  6  2  0
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 13 14  1  0
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 16 17  1  0
 17 18  1  0
  8  3  1  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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  3  4  2  0
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  8  3  1  0
 19 12  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
 19 13  1  0
M  END
$$$$

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 17 12  1  0
M  END
$$$$

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0
  8  3  1  0
 17 13  1  0
M  END
$$$$

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 17 12  1  0
M  END
$$$$

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 13 12  1  6
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 17 13  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 19 15  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 19 15  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 13 14  1  0
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  8  3  1  0
 16 12  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 14 13  1  6
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 17 18  1  0
  8  3  1  0
 18 14  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    2.0134   -1.9169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
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  3  4  2  0
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  5  6  2  0
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 13 14  1  0
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  8  3  1  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.6106   -2.6839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
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  3  4  2  0
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  5  6  2  0
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 13 14  1  0
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 17 18  2  0
  8  3  1  0
 17 13  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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  3  4  2  0
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 13 14  1  0
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 17 18  2  0
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 17 12  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.6106   -2.6839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
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  3  4  2  0
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 13 12  1  6
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  8  3  1  0
 17 13  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 17 12  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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  3  4  2  0
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 13 12  1  1
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 16 17  1  0
 17 18  2  0
  8  3  1  0
 17 13  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.8458   -3.0008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
  2  3  1  0
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  4  5  1  0
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 13 15  2  0
  8  3  1  0
M  ISO  2  12  14  14  14
M  END
$$$$

     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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    0.1351   -2.4371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1659    0.3802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3175   -0.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1346    1.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2853    2.8891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  2  0
  4  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  3  0
 12  7  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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   -0.9994   -1.9901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5051    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0338    0.8502    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4375    1.1422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4260    0.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9432   -1.4062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8973    0.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3802    1.7261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8858   -0.8223    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 15 17  1  0
  8  3  1  0
M  CHG  1  17  -1
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.0124   -3.2081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9411   -2.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8946   -0.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3742   -1.1390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3277    0.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8017    1.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3221    1.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3686    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1110    0.7593    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1358    2.2389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5905    1.0061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5440   -0.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0236    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5496    1.4997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9771   -1.0630    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
  8  3  1  0
M  CHG  1  16  -1
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.0183   -2.7279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1906   -1.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3629   -0.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7595   -1.4038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9318   -0.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7076    1.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3110    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1387    0.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7421    1.1741    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2895    2.5707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6544    1.7215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2233    1.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1714   -1.0858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7922    0.9448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6025   -0.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2059   -1.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7748   -1.6332    0.0000 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  1
 14 15  1  0
 15 16  2  0
 15 17  1  0
 13 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  CHG  1  20  -1
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    5.6218   -1.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5155   -0.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0851   -1.2821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9788   -0.2691    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917    0.8372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9658   -1.3755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8228   -2.5160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1747    0.4132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9762   -1.8337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4020    1.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3891    2.9157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8724    0.7438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1965    2.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6269    2.6600    0.0000 C   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  9  2  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  3  0
  4 18  1  0
 18 19  1  0
 19 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -0.8959   -3.0701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9558   -2.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4648   -1.3343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5247   -0.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1353    1.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6862    1.5629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6263    0.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5643    2.3378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7811    0.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8410   -0.4600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6773   -1.5221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9030    1.3763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7393    0.3142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.6865    2.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6444    1.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0578   -0.2313    0.0000 C   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  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  2  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  3  0
  3 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 13  8  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
    0.0251   -2.6543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2065   -1.7981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
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 13 14  1  0
 14 15  1  0
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 15 17  1  0
 15 18  1  0
 13 19  1  0
 19 20  2  0
 19 21  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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    4.7819    0.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8911    0.9608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0085   -1.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 17 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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   -1.9558   -2.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8410   -0.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7393    0.3142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9030    1.3763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
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 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -0.1520   -2.9447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2772   -1.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4014    1.0862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4175   -1.1641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
    0.0251   -2.6543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2065   -1.7981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7954   -1.5804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0271   -0.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3124    0.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9551    1.1914    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4022    1.8299    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6338    0.9737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5081   -0.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8835   -2.6089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5960   -0.1456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9911    1.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1168    3.1069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2227    0.7560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  6
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 13 19  1  0
 19 20  2  0
 19 21  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -0.2348   -3.2129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1845   -2.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1187   -0.7262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3068   -0.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0291   -1.4033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5452    1.5574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 14 17  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.6865    2.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6444    1.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0578   -0.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0158   -1.3103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1503   -2.0497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8762    0.8612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  2  0
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 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  3  0
  3 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 13  8  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    1.7122    1.4406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2094    0.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6874    1.1335    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9606    1.2226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  2  0
  4  7  1  0
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  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  3  0
  2 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 12  7  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.6827    2.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6379    1.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  1
  5  6  1  0
  6  7  2  0
  6  8  2  0
  6  9  1  0
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 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  3  0
  4 17  1  0
 17 18  2  0
 17 19  1  0
 17 20  1  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    1.7122    1.4406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2094    0.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6930   -1.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  1
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 10 11  1  0
 11 12  2  0
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 13 14  3  0
  2 15  1  0
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 15 18  1  0
 12  7  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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  8  9  1  0
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  9 11  2  0
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 12 13  2  3
 13 14  1  0
 13 15  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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   -0.2285   -1.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4722    0.7206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
  9 11  2  0
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 13 14  2  0
 13 15  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.8458   -3.0008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2285   -1.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6590   -1.1401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    5.3482    0.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2886   -0.6068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6107    3.0638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
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  5  7  2  0
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  9 10  1  0
 10 11  2  0
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 13 14  1  0
 14 15  3  0
 13  8  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    4.9430   -0.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4976   -1.3609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7332    2.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
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  3 17  1  0
 17 18  1  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    5.8170    1.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3245    1.7865    0.0000 C   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  4  1  0
  4  5  1  0
  5  6  1  0
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  5 10  1  0
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 15 16  2  0
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 17 18  2  0
 18 19  1  0
 19 20  3  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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 17 18  3  0
  4 19  1  0
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 19 21  1  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 18 16  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 13 15  2  0
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 22 17  1  0
M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 22 17  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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    6.7393    0.3142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0
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 16 18  2  0
 16 19  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 15 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 14 16  2  0
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 14 15  1  0
 15 16  3  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.7255    1.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 14 15  1  0
 15 16  3  0
 14  9  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0
 14 15  3  0
 13  8  1  0
M  END
$$$$

     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.3892   -3.0354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 12 13  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.3892   -3.0354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 12 13  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.3892   -3.0354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
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 12 13  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.3892   -3.0354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  9 12  1  0
 12 13  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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    5.2675    0.3190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  2  0
 14 17  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
    6.5065    0.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1901    1.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  2  0
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 11 12  2  0
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 13 14  2  0
 14 15  1  0
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 16 17  1  0
 17 18  3  0
  6 19  1  0
 19 20  2  0
 19 21  1  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
    6.5065    0.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4198   -0.3077    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1901    1.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  6  5  1  6
  6  7  1  0
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  8 10  2  0
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 11 12  2  0
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 17 18  3  0
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 19 20  2  0
 19 21  1  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    3.9606    1.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6836   -0.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
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  8 10  2  0
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 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
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 16 17  1  0
 17 18  3  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -7.0667   -0.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 18 19  3  0
  5 20  1  0
 20 21  2  0
 21  2  1  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 12 13  2  3
 13 14  1  0
 13 15  1  0
 15 16  2  0
 15 17  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 15 16  2  0
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 18 19  2  0
 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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    2.1901   -1.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  8  9  1  0
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 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 13 19  1  0
 19 20  2  0
 19 21  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.1035   -2.9471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0910    0.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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  7  8  2  0
  8  9  1  0
  9 10  2  0
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  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    0.0658   -2.7272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1348   -1.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3813    0.5326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
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 12 13  1  0
 13 14  1  6
 14 15  1  0
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 15 17  1  0
 13 18  1  0
 18 19  2  0
 18 20  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    0.8703    3.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9482    1.7767    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5684    0.1437    0.0000 C   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  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
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  7 10  1  0
 10 11  2  0
 11 12  1  0
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 13 14  1  0
 14 15  2  0
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 16 17  3  0
  5 18  1  0
 18 19  2  0
 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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    2.0914    2.6163    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7184    0.5513    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
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 11 12  2  0
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 13 14  2  0
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 16 17  1  0
 17 18  3  0
  5 19  1  0
 19 20  2  0
 19 21  1  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
    7.8418   -0.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4270    0.2949    0.0000 C   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  4  1  0
  4  5  1  0
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 11 12  2  0
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 13 14  2  0
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 16 17  1  0
 17 18  3  0
  6 19  1  0
 19 20  2  0
 19 21  1  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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 10 11  2  0
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 13 14  1  0
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 16 17  3  0
  5 18  1  0
 18 19  2  0
 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.9528    3.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552    2.4694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0571    2.4644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
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 17 18  1  0
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 19 20  1  0
 20 21  3  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0
 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0
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 16 17  3  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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    6.4270    0.2949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
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 17 18  3  0
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 19 20  2  0
 19 21  1  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    6.8215    0.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  2  0
 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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 17 18  3  0
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 19 20  2  0
 19 21  1  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 16 17  3  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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 21 15  1  0
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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    3.5214    1.3900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
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 13 14  2  0
 13 15  1  0
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 17 18  2  0
 18 19  1  0
 19 20  2  0
  8  3  1  0
 20 15  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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    3.5214    1.3900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
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 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
  8  3  1  0
 20 15  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.8458   -3.0008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2285   -1.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0285    0.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6590   -1.1401    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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   -1.4986   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9820    2.7830    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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 12 13  1  0
 13 14  2  0
 13 15  1  0
 12 16  1  0
 16 17  1  0
 16 18  2  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.8702   -2.4324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4516   -1.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6952   -0.0619    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
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  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  9 10  2  0
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 13 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.8702   -2.4324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4516   -1.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 16 17  2  0
 16 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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   -2.3579   -1.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0
  4  5  1  0
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 16 17  1  0
 17 18  3  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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    4.5669   -0.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  3  0
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 17 18  3  0
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 17 18  3  0
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 20 21  2  0
  8  3  1  0
 21 16  1  0
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 21 16  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 17 18  3  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    6.1607    0.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  3  0
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 17 18  3  0
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 22 17  1  0
M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 22 17  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 19 14  1  0
M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 21 22  2  0
  8  3  1  0
 22 17  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0
M  ISO  1  13  14
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 12 13  2  3
 13 14  1  0
 13 15  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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 12 13  1  0
 13 14  2  0
 13 15  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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 18 19  2  0
 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 16 17  3  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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 18 20  1  0
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M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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 18 20  1  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 16 17  2  0
 16 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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    4.7593   -0.3466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  2  0
 16 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    0.0954   -2.7907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9280   -1.8028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
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  5  6  2  0
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 17 18  2  0
 17 19  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 16 17  1  0
 17 18  1  0
 18 19  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 14 15  1  0
 15 16  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 17 18  2  0
 17 19  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0
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M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0
 14 15  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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 14 15  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    5.8798   -0.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4319    0.3584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0
 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.0367   -2.9824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0289   -1.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7593   -0.3466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
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  3  4  2  0
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 12 13  1  0
 13 14  1  6
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 16 17  2  0
 16 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.0367   -2.9824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0289   -1.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7593   -0.3466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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  8  9  1  0
  9 10  2  0
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 12 13  1  0
 13 14  1  6
 14 15  1  0
 13 16  1  0
 16 17  2  0
 16 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.0367   -2.9824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0289   -1.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
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  3  4  2  0
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 12 13  1  0
 13 14  1  6
 14 15  1  0
 13 16  1  0
 16 17  2  0
 16 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.0367   -2.9824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0289   -1.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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  8  9  1  0
  9 10  2  0
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 12 13  1  0
 13 14  1  6
 14 15  1  0
 13 16  1  0
 16 17  2  0
 16 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.0367   -2.9824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0289   -1.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
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 12 13  1  0
 13 14  1  6
 14 15  1  0
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 16 17  2  0
 16 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.0367   -2.9824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0289   -1.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
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  3  4  2  0
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  5  6  2  0
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 13 14  1  6
 14 15  1  0
 13 16  1  0
 16 17  2  0
 16 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.1722   -2.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6806   -2.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  4  5  1  0
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  4 11  1  0
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 17 18  1  0
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 19 20  1  0
 20 21  3  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
    5.5035   -2.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  2  0
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  4  5  1  0
  5  6  1  6
  6  7  1  0
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 10 11  1  0
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 17 18  1  0
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 19 20  1  0
 20 21  3  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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    4.7593   -0.3466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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 12 13  1  0
 13 14  1  1
 14 15  1  0
 13 16  1  0
 16 17  2  0
 16 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
    5.8047   -0.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4071   -0.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0127    2.7934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
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  8  9  1  0
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 17 18  1  0
 18 19  3  0
 17 12  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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   -1.0274   -1.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6460    0.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0643    0.5607    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
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 12 13  1  0
 13 14  1  1
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.5299   -2.6922    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9195   -1.4519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
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 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
  8  3  1  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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  8  9  1  0
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 13 14  1  0
 14 15  2  0
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 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
  8  3  1  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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  8  9  1  0
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 13 14  1  0
 14 15  1  0
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 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
  8  3  1  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.5425   -2.4900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 16 18  2  0
 16 19  1  0
  8  3  1  0
 19 13  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -3.9577    2.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8718    3.0889    0.0000 N   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
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 13 14  2  0
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 17 18  2  0
 18 19  1  0
 19 20  3  0
  6  2  2  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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    3.9577   -2.1585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
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 13 14  2  0
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 17 18  2  0
 18 19  1  0
 19 20  1  0
  8  3  1  0
 19 15  2  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 13 14  1  0
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 18 20  2  0
  8  3  1  0
 17 13  2  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 13 14  2  0
 13 15  1  0
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 17 18  2  0
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  8  3  1  0
 19 15  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 14 15  2  0
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 19 20  1  0
  8  3  1  0
 20 16  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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  8  3  1  0
 20 16  1  0
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 21 17  1  0
M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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  1  2  3  0
  2  3  1  0
  3  4  2  0
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  5  6  2  0
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  8  3  1  0
 22 14  1  0
 21 16  1  0
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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  3  4  2  0
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 20 21  3  0
  6  2  2  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  3  4  2  0
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 20 21  3  0
  6  2  2  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
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   -3.6705   -1.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 17 18  3  0
  6 19  1  0
 19  2  1  0
 16 11  1  0
M  END
$$$$

     RDKit          2D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.0782   -2.8558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 18 13  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    1.0871   -1.4743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
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 17 18  2  0
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 17 13  1  0
M  END
$$$$

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  1  2  3  0
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 16 17  1  0
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 17 13  1  0
M  END
$$$$

     RDKit          2D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 17 18  2  0
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 17 13  1  0
M  END
$$$$

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
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    2.3913    0.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8284    1.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3559   -0.7292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
  9 10  2  0
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  9 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
  8  3  1  0
 17 13  1  0
M  END
$$$$

     RDKit          2D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.6231   -2.7826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5693   -1.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1989    1.6804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3913    0.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8284    1.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6812   -0.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7712   -1.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3559   -0.7292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  8  9  1  0
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 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
  8  3  1  0
 17 13  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
    4.8858    0.8223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8973   -0.3059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9432    1.4062    0.0000 Se  0  0  0  0  0  2  0  0  0  0  0  0
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   -0.0109    3.1183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
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  7 10  1  0
 10 11  2  0
 11 12  1  0
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 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  3  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.8458   -3.0008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2285   -1.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5104    0.9537    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1035    2.3974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6590   -1.1401    0.0000 Se  0  0  0  0  0  2  0  0  0  0  0  0
  1  2  3  0
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  4  5  1  0
  5  6  2  0
  6  7  1  0
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  9 10  2  0
  9 11  2  0
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 12 13  1  0
 13 14  1  0
 13 15  2  0
  8  3  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
    4.0291    1.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7872   -0.0770    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    3.5452   -1.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2675   -0.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3068    0.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2348    3.2129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
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  7 10  1  0
 10 11  2  0
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 13 14  1  0
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 15 16  1  0
 16 17  3  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
   -3.9037    2.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6131    0.8753    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -3.3224   -0.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8085   -3.3504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
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  6 10  1  0
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 17 18  2  0
 18 19  1  0
 19 20  3  0
 18 13  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
    5.6369    1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2430   -0.0134    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
    4.8491   -1.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  2  0
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 19 20  3  0
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M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
    7.9637   -1.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  3  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  0  0  0  0  0  0999 V2000
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    4.4089   -0.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1226    1.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 17 18  3  0
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M  END
$$$$

     RDKit          2D

 25 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 25 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 25 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 16 17  3  0
 15 10  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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 22 23  2  0
 23  2  1  0
 19 14  1  0
M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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    4.2780   -3.1952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  3  0
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M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 17 12  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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    1.7807    0.8064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9057   -1.3113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7844   -1.3150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3348   -0.9292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0509   -2.3788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7205    0.5203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1147   -0.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1736   -1.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6231   -1.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0139    0.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9551    1.2904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5055    0.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4467    1.9672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6121    3.0297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  2  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  3  0
 14  9  1  0
M  END
$$$$
