
     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 15 16  4  0
 16  9  4  0
M  END
$$$$

     RDKit          3D

 15 15  0  0  0  0  0  0  0  0999 V2000
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 15  9  4  0
M  END
$$$$

     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 17 18  4  0
 18 11  4  0
M  END
$$$$

     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 14 16  4  0
 16 17  4  0
 17 11  4  0
M  END
$$$$

     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 16 11  4  0
M  END
$$$$

     RDKit          3D

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

     RDKit          3D

 14 14  0  0  0  0  0  0  0  0999 V2000
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 14  9  4  0
M  END
$$$$

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 15 16  4  0
 16 17  4  0
 17 12  4  0
M  END
$$$$

     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  9  2  4  0
 17 12  4  0
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 23 18  4  0
M  CHG  1   5  -1
M  END
$$$$

     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 19  9  1  6
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 18 10  4  0
 20 21  4  0
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 22 23  4  0
 23 24  4  0
 24 25  4  0
 25 20  4  0
M  CHG  2  14   1  16  -1
M  END
$$$$

     RDKit          3D

 12 12  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0
 11 12  1  0
 12  6  1  0
M  CHG  1  10   1
M  END
$$$$

     RDKit          3D

 15 15  0  0  0  0  0  0  0  0999 V2000
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 10 11  4  0
 11 12  4  0
 12 13  4  0
 13 14  4  0
 14 15  4  0
 15 10  4  0
M  END
$$$$

     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0
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 14 15  4  0
 15 16  4  0
 16 11  4  0
M  END
$$$$

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          3D

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

     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          3D

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

     RDKit          3D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 20 10  1  0
 20 15  4  0
M  END
$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 22 10  1  0
 22 17  4  0
M  END
$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 21 10  1  0
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M  END
$$$$

     RDKit          3D

 21 21  0  0  0  0  0  0  0  0999 V2000
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 21 17  4  0
M  END
$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 11  5  1  0
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 14 18  4  0
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 19 12  4  0
 17 15  1  0
M  END
$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 14  9  4  0
 18 12  1  0
M  CHG  1   2   1
M  END
$$$$

     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1   2   1
M  END
$$$$

     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 16 10  4  0
M  END
$$$$

     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 15 16  4  0
 16 12  4  0
M  END
$$$$

     RDKit          3D

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

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 20 12  4  0
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M  END
$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1  13   1
M  END
$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1  13   1
M  END
$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1  13   1
M  END
$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0
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  5  6  1  0
  6  7  1  0
  5  8  4  0
  8  9  4  0
 10  9  1  6
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 11 12  1  0
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  9 16  4  0
 16  3  4  0
 15 10  1  0
 17 18  4  0
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 19 20  4  0
 20 21  1  0
 20 22  4  0
 22 17  4  0
M  CHG  1  13   1
M  END
$$$$

     RDKit          3D

 21 21  0  0  0  0  0  0  0  0999 V2000
    4.7625    2.7888   -2.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0295    2.1192   -0.8538 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0
 18 19  1  0
 11 20  4  0
 20 21  4  0
 21  8  4  0
 19 13  1  0
M  CHG  1  13   1
M  END
$$$$

     RDKit          3D

 23 23  0  0  0  0  0  0  0  0999 V2000
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 18 19  3  0
 17 20  4  0
 20 21  4  0
 12 22  1  0
 22 23  1  0
 23  8  1  0
 21 14  4  0
M  CHG  1  12   1
M  END
$$$$

     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0
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 14 15  4  0
 15 16  4  0
 16 11  4  0
M  END
$$$$

     RDKit          3D

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

     RDKit          3D

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.0438   -2.6469    2.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 24  4  0
 24 25  4  0
 25 20  4  0
M  END
$$$$

     RDKit          3D

 26 27  0  0  0  0  0  0  0  0999 V2000
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 18  3  4  0
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 23 25  4  0
 25 26  4  0
 26 20  4  0
M  END
$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    3.7845    0.8769    1.5141 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0856    1.7302    0.6622 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9031    1.3851   -0.6779 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  7  6  1  1
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
  6 13  4  0
 13  2  4  0
 11  7  1  0
 14 15  4  0
 15 16  4  0
 16 17  4  0
 17 18  4  0
 18 19  4  0
 19 14  4  0
M  CHG  1  11   1
M  END
$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -4.6047   -0.1076    3.6760 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3951   -0.4247    3.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0856    1.7302    0.6622 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  7  6  1  1
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  6 12  4  0
 12  2  4  0
 11  7  1  0
 13 14  4  0
 14 15  4  0
 15 16  4  0
 16 17  1  0
 16 18  4  0
 18 19  4  0
 19 13  4  0
M  CHG  1  11   1
M  END
$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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   -3.3951   -0.4247    3.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0856    1.7302    0.6622 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  7  6  1  1
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  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
  6 13  4  0
 13  2  4  0
 11  7  1  0
 14 15  4  0
 15 16  4  0
 16 17  4  0
 17 18  1  0
 17 19  4  0
 19 20  4  0
 20 14  4  0
M  CHG  1  11   1
M  END
$$$$

     RDKit          3D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -5.1954   -0.4783    2.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0084   -1.1536    0.7340 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
  3  6  1  0
  6  7  2  0
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  8  9  4  0
  9 10  4  0
 10 11  4  0
 11 12  4  0
 12 13  4  0
 13  8  4  0
 15 14  1  1
 15 16  1  0
 16 17  1  0
 17 18  4  0
 18 19  4  0
 19 20  4  0
 20 21  4  0
 21 22  4  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 15  1  0
 22 17  4  0
M  END
$$$$

     RDKit          3D

 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  1  0
  4  5  1  0
  3  6  1  0
  6  7  2  0
  9  8  1  6
  9 10  1  0
 10 11  2  0
 10 12  1  0
  9 13  1  0
 13 14  1  0
 14 15  4  0
 15 16  4  0
 16 17  4  0
 17 18  4  0
 18 19  4  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22  9  1  0
 19 14  4  0
M  END
$$$$

     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
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   -6.7108    0.2837    0.3048 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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  6  7  1  0
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 12 13  1  0
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 14 15  1  0
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 16 17  4  0
 17  2  4  0
 15  6  1  0
 18 19  1  0
 19 20  4  0
 20 21  4  0
 21 22  4  0
 22 23  4  0
 23 24  4  0
 24 19  4  0
M  END
$$$$

     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  4  0
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 13 14  1  0
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 16  2  4  0
 14  6  1  0
 17 18  1  0
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 20 21  4  0
 21 22  4  0
 22 23  4  0
 23 18  4  0
M  END
$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 18 19  4  0
 13  9  1  0
 19 14  4  0
M  END
$$$$

     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 16 12  1  0
M  END
$$$$

     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 17 18  2  0
  9 19  1  0
 17 12  4  0
M  END
$$$$

     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 14  2  4  0
 12  7  1  0
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 22 23  1  0
 21 16  4  0
M  CHG  1   7   1
M  END
$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1   7   1
M  END
$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 14  2  4  0
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M  CHG  1   7   1
M  END
$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 13  2  4  0
 12  7  4  0
 14 15  4  0
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 19 14  4  0
M  END
$$$$

     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
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    2.1173   -3.4676    1.4926 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  1  0
  5  6  4  0
  6  7  4  0
  7  8  4  0
  8  9  4  0
  3 10  1  0
 10 11  2  0
 10 12  1  0
  9  5  4  0
 13 14  4  0
 14 15  4  0
 15 16  4  0
 16 17  1  0
 16 18  4  0
 18 19  4  0
 19 13  4  0
M  END
$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.3516    3.1680   -2.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9391    1.8326   -2.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0729    0.4923   -0.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5839   -1.4742    0.6910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4406   -0.7155    1.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4437    0.6847    1.7909 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2600    1.2971    0.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  1  0
  4  6  4  0
  6  7  4  0
  7  8  4  0
  8  9  4  0
  9 10  4  0
 10 11  4  0
 11  2  4  0
 10  6  4  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  4  0
 18 19  4  0
 19 20  4  0
 20 21  4  0
 21 22  4  0
 22 17  4  0
M  END
$$$$

     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -2.3516    3.1680   -2.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9391    1.8326   -2.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0729    0.4923   -0.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4406   -0.7155    1.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8610   -1.3958    3.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4437    0.6847    1.7909 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2600    1.2971    0.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  1  0
  4  6  4  0
  6  7  4  0
  7  8  4  0
  8  9  4  0
  9 10  4  0
 10 11  4  0
 11  2  4  0
 10  6  4  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  4  0
 18 19  4  0
 19 20  4  0
 20 21  1  0
 20 22  4  0
 22 23  4  0
 23 17  4  0
M  END
$$$$

     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -3.1029    0.3538    4.0062 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7843    0.0311    2.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6389    0.5313    1.3666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3771    0.2694    0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2683   -0.5044   -0.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4200   -1.0049    0.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6744   -0.7330    1.9898 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2989   -2.3047   -0.5023 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3727   -1.0480    0.1290 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3423   -0.0997   -0.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5887   -0.1714   -1.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3638    1.8418   -0.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1203    1.9701    0.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0992    1.0077    0.7157 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8385    1.1707    1.9652 N   0  0  0  0  0  4  0  0  0  0  0  0
    3.2495    0.1450    2.5330 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0123    2.3237    2.3879 O   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  7  4  0
  7  2  4  0
  8  9  1  0
  9 10  1  0
 10 11  4  0
 11 12  4  0
 12 13  4  0
 13 14  4  0
 14 15  4  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 15 10  4  0
M  CHG  2  16   1  18  -1
M  END
$$$$

     RDKit          3D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -5.3268    0.2665   -0.7091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1795   -0.2181    0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7240   -0.4196    0.5394 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0043   -0.5495   -0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3187    0.0752   -1.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3605    0.8430   -1.8811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0820    0.9793   -1.3381 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7543    0.3355   -0.1409 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
  6  7  1  0
  7  8  4  0
  8  9  4  0
  9 10  4  0
 10 11  4  0
 11 12  4  0
 12  7  4  0
M  END
$$$$

     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
    5.4500   -0.8108   -1.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3035   -1.6576   -0.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7447   -1.1002    0.5502 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8333   -0.0886    0.5079 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2663    0.3104   -0.5031 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4837    0.4018    1.7619 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4200    0.0130    2.8899 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2839    1.2005    1.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7381    1.6576    1.8077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9267   -1.4020    0.6099 F   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2925   -1.4464   -0.7102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0749   -0.8914   -1.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7830   -0.5386   -2.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6972   -0.7263   -1.5210 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  1  0
  9  8  1  6
  9 10  1  0
 10  6  1  0
 11 12  1  0
 12 13  4  0
 13 14  4  0
 14 15  4  0
 15 16  4  0
 16 17  4  0
 17 12  4  0
M  END
$$$$

     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
    5.4500   -0.8108   -1.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3035   -1.6576   -0.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7447   -1.1002    0.5502 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8413   -0.5410    2.6745 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4200    0.0130    2.8899 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2839    1.2005    1.9250 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2175    0.7137    0.5893 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.7381    1.6576    1.8077 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7830   -0.5386   -2.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6972   -0.7263   -1.5210 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  1  0
  8  9  1  0
  9 10  1  6
  9 11  1  0
 11  6  1  0
 12 13  1  0
 13 14  4  0
 14 15  4  0
 15 16  4  0
 16 17  4  0
 17 18  4  0
 18 13  4  0
M  CHG  1  10   1
M  END
$$$$

     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
    5.4500   -0.8108   -1.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3035   -1.6576   -0.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4200    0.0130    2.8899 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2839    1.2005    1.9250 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2175    0.7137    0.5893 N   0  0  0  0  0  4  0  0  0  0  0  0
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   -5.0749   -0.8914   -1.9730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7830   -0.5386   -2.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3047   -0.3585   -1.9471 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  1  0
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  9 10  1  6
  9 11  1  0
 11  6  1  0
 12 13  1  0
 13 14  4  0
 14 15  4  0
 15 16  4  0
 16 17  4  0
 17 18  4  0
 18 19  1  0
 18 13  4  0
M  CHG  1  10   1
M  END
$$$$

     RDKit          3D

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

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    5.7184    0.3016    0.8864 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0038    1.4415    1.6189 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6340    1.3369    0.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  1  4  0
  7  8  4  0
  8  9  4  0
  9 10  4  0
 10 11  1  0
 12 11  1  1
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 10 18  4  0
 18  7  4  0
 17 12  1  0
M  END
$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    5.7184    0.3016    0.8864 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0038    1.4415    1.6189 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7563    0.5434   -1.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2838   -0.2501   -2.3094 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  1  0
  6  7  4  0
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  8  9  4  0
  9 10  1  0
  9 11  4  0
  5 12  4  0
 12  1  4  0
 11  6  4  0
 13 14  4  0
 14 15  4  0
 15 16  4  0
 16 17  1  0
 16 18  4  0
 18 13  4  0
M  END
$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    5.7184    0.3016    0.8864 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0038    1.4415    1.6189 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9519    0.4819    0.9021 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  1  4  0
  7  8  4  0
  8  9  4  0
  9 10  4  0
 10 11  1  0
 12 11  1  1
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 10 19  4  0
 19  7  4  0
 18 12  1  0
M  END
$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.2920    2.1075   -0.8823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8425    1.2650   -1.1122 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2770   -2.2005   -0.1554 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  4  0
  4  5  4  0
  5  6  4  0
  6  7  4  0
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  8  3  4  0
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 10 11  1  0
 11 12  1  6
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 13 15  1  0
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 16 17  1  0
 17 18  4  0
 18 19  4  0
 19 20  4  0
 20 21  4  0
 15 10  1  0
 21 17  4  0
M  END
$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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   -0.8425    1.2650   -1.1122 O   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  4  0
 21 22  4  0
 16 10  1  0
 22 18  4  0
M  END
$$$$

     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 22 23  4  0
 17 10  1  0
 23 19  4  0
M  END
$$$$

     RDKit          3D

 14 14  0  0  0  0  0  0  0  0999 V2000
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 11 12  1  0
 13 12  1  6
 13 14  1  0
 14  9  1  0
M  END
$$$$

     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
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    3.9835    0.3074   -2.4018 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8001   -0.7487   -1.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2033    0.3551    0.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  7  1  0
  6  8  4  0
  8  9  4  0
  9  3  4  0
 10 11  2  0
 11 12  2  0
 11 13  1  0
 11 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  1  0
 20 14  1  0
M  END
$$$$

     RDKit          3D

 15 15  0  0  0  0  0  0  0  0999 V2000
    2.7482    0.8251    1.8883 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3214   -0.0366    0.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  7  4  0
  7  2  4  0
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  9 10  1  0
 11  9  1  1
 11 12  1  0
 12 13  1  0
 13 14  1  0
 15 14  1  1
 15 11  1  0
M  CHG  1  10  -1
M  END
$$$$

     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.7482    0.8251    1.8883 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3214   -0.0366    0.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9416    0.5834   -1.8361 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  7  4  0
  7  2  4  0
  8  9  2  0
  9 10  1  0
 11  9  1  1
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  6
 15 11  1  0
M  CHG  1  10  -1
M  END
$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    7.5981   -0.9458   -0.5088 O   0  0  0  0  0  1  0  0  0  0  0  0
    6.3323   -0.9074   -0.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6787    1.9857   -1.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  7  4  0
  7  2  4  0
  8  9  4  0
  9 10  4  0
 10 11  4  0
 11 12  1  0
 12 13  1  6
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 11 19  4  0
 19  8  4  0
 18 14  1  0
M  CHG  2   1  -1  14   1
M  END
$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    7.5981   -0.9458   -0.5088 O   0  0  0  0  0  1  0  0  0  0  0  0
    6.3323   -0.9074   -0.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5851   -1.8723    0.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5985   -0.7028   -0.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6922    2.9848   -1.3448 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6787    1.9857   -1.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  7  4  0
  7  2  4  0
  8  9  4  0
  9 10  4  0
 10 11  4  0
 12 11  1  6
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 11 18  4  0
 18  8  4  0
 17 13  1  0
M  CHG  2   1  -1  13   1
M  END
$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -4.7659   -1.3218    0.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7669   -1.9351    1.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3088   -2.7870   -0.9669 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6109    3.0648   -1.2223 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7008    1.1036   -2.8765 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3157    0.1050   -3.6364 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9480    0.3256    0.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3817    1.2066    1.3002 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6655    2.8800    1.6277 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0729    2.3061    3.3429 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.0649    1.2268    1.2836 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  1
  5  1  1  0
  6  7  2  0
  7  8  4  0
  8  9  4  0
  9 10  4  0
 10 11  4  0
 11 12  4  0
 12 13  4  0
 13 14  4  0
 14 15  4  0
 15 16  4  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 16  7  4  0
 13  8  4  0
M  CHG  1  19  -1
M  END
$$$$

     RDKit          3D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -4.0835   -1.4967   -1.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3088   -2.7870   -0.9669 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6655    2.8800    1.6277 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  1  6
  5  6  4  0
  6  7  4  0
  7  8  4  0
  8  9  4  0
  4 10  1  0
 10  1  1  0
  9  5  4  0
 11 12  2  0
 12 13  4  0
 13 14  4  0
 14 15  4  0
 15 16  4  0
 16 17  4  0
 17 18  4  0
 18 19  4  0
 19 20  4  0
 20 21  4  0
 21 22  1  0
 21 12  4  0
 18 13  4  0
M  END
$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -4.0835   -1.4967   -1.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3088   -2.7870   -0.9669 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  6
  5  6  4  0
  6  7  4  0
  7  8  4  0
  8  9  4  0
  4 10  1  0
 10  1  1  0
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 11 12  2  0
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 16 17  4  0
 17 18  4  0
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 19 20  4  0
 20 21  4  0
 21 12  4  0
 18 13  4  0
M  END
$$$$

     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
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   -4.9804   -1.9564   -1.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 16 11  4  0
M  END
$$$$

     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 17 18  4  0
 18 12  4  0
M  END
$$$$

     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0
 11 19  1  6
 18 13  1  0
M  END
$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 14 21  4  0
 21 10  4  0
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M  END
$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 21 11  4  0
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M  END
$$$$

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 17  7  4  0
 15 11  4  0
M  END
$$$$

     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 16 17  4  0
 17 18  4  0
 18 13  4  0
M  END
$$$$

     RDKit          3D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 13  8  4  0
 30 18  4  0
 29 11  4  0
 24 19  4  0
 30 25  4  0
M  END
$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  4  0
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 19 20  4  0
 13  9  1  0
 20 14  4  0
M  END
$$$$

     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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 14 16  4  0
 16 17  4  0
 17 11  4  0
M  END
$$$$

     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -1.6296    2.6268    1.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0
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 13 14  4  0
 14 15  4  0
 15 16  4  0
 16 17  4  0
 17 12  4  0
M  END
$$$$

     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0
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 13 14  4  0
 14 15  4  0
 15 16  4  0
 16 11  4  0
M  END
$$$$

     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 12 13  1  0
 13 14  4  0
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 16 17  4  0
 17 18  4  0
 18 13  4  0
M  END
$$$$

     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          3D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 18 14  4  0
M  END
$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 20 21  4  0
 16 11  4  0
 21 17  4  0
M  END
$$$$

     RDKit          3D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -1.6685   -2.6377   -0.5427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3049   -1.1705   -0.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2246    2.2425    0.3644 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  1  0
  5  6  1  0
  6  4  1  0
  7  8  1  0
  8  9  4  0
  9 10  4  0
 10 11  4  0
 11 12  4  0
 12 13  4  0
 13  8  4  0
M  END
$$$$

     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -4.2819    2.8360    0.7013 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9287    1.7458    1.1743 N   0  0  0  0  0  4  0  0  0  0  0  0
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    4.8378    1.1213    1.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8017    1.0804    0.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4543   -0.1326   -0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  4  0
  5  6  1  0
  5  7  4  0
  7  8  4  0
  8  9  4  0
  9 10  4  0
 10  4  4  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  4  0
 15 16  4  0
 16 17  4  0
 17 18  4  0
 18 19  4  0
 19 14  4  0
M  CHG  4   2   1   3  -1  12   1  13  -1
M  END
$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.9338    2.6484   -0.9309 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4366   -0.7835    0.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  7  4  0
  7  8  4  0
  8  3  4  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  6
 14 15  4  0
 15 16  4  0
 16 17  4  0
 17 18  4  0
 18 19  4  0
 13 10  1  0
 19 14  4  0
M  END
$$$$

     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
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   -3.5863    1.6585   -0.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9740    0.1597   -1.4696 C   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  1  0
  6  7  1  0
  8  7  1  6
  8  3  1  0
  9 10  1  0
 10 11  1  0
 11 12  4  0
 12 13  4  0
 13 14  1  0
 13 15  4  0
 15 16  4  0
 16 17  4  0
 17 11  4  0
M  END
$$$$

     RDKit          3D

 21 21  0  0  0  0  0  0  0  0999 V2000
   -3.5790    0.2011   -3.9577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7044    0.0039   -2.7112 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.9041    1.4549    3.2374 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  1  0
  5  6  2  0
  5  7  1  0
  2  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14  9  1  0
 15 16  1  0
 16 17  4  0
 17 18  4  0
 18 19  4  0
 19 20  4  0
 20 21  4  0
 21 16  4  0
M  CHG  1   9   1
M  END
$$$$

     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
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   -2.7044    0.0039   -2.7112 C   0  0  1  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  1  0
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  2 10  1  0
  9  4  1  0
 11 12  1  0
 12 13  1  1
 12 14  1  0
 14 15  4  0
 15 16  4  0
 16 17  4  0
 17 18  1  0
 17 19  4  0
 19 20  4  0
 20 14  4  0
M  CHG  1   4   1
M  END
$$$$

     RDKit          3D

 21 21  0  0  0  0  0  0  0  0999 V2000
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   -2.3641    1.0545    1.6620 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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  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  1  1  0
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 10 11  1  0
 11 12  1  0
 12 13  1  1
 12 14  1  0
 14 15  4  0
 15 16  4  0
 16 17  4  0
 17 18  1  0
 17 19  4  0
 19 20  4  0
  9 21  1  0
 20 14  4  0
M  CHG  1   4   1
M  END
$$$$

     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 14 15  4  0
 15 16  4  0
 16 17  1  0
 16 18  4  0
 18 19  4  0
 19 13  4  0
M  CHG  1   4   1
M  END
$$$$

     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -3.5790    0.2011   -3.9577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7044    0.0039   -2.7112 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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 13 14  4  0
 14 15  4  0
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 18 19  4  0
 19 13  4  0
M  CHG  1   4   1
M  END
$$$$

     RDKit          3D

 21 21  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0
 16 18  4  0
 18 19  4  0
  8 20  1  0
 20 21  1  0
 19 13  4  0
M  CHG  1   4   1
M  END
$$$$

     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -3.5790    0.2011   -3.9577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7044    0.0039   -2.7112 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 10  1  6
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 12 13  4  0
 13 14  4  0
 14 15  4  0
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 17 18  4  0
 18 12  4  0
M  CHG  1   4   1
M  END
$$$$

     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -3.5790    0.2011   -3.9577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7044    0.0039   -2.7112 C   0  0  1  0  0  0  0  0  0  0  0  0
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  2 10  1  0
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 11 12  1  0
 12 13  4  0
 13 14  4  0
 14 15  4  0
 15 16  4  0
 16 17  4  0
 17 12  4  0
M  CHG  1   4   1
M  END
$$$$

     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 11 12  4  0
 12 13  4  0
 13 14  4  0
 14 15  1  0
 14 16  4  0
 16 17  4  0
 17 11  4  0
M  CHG  1   4   1
M  END
$$$$

     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
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 14 15  4  0
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 18 19  4  0
  8 20  1  0
 19 13  4  0
M  CHG  1   4   1
M  END
$$$$

     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 17 18  4  0
 18 19  1  0
 18 13  4  0
M  END
$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 21 22  1  0
 14 10  1  0
 21 16  4  0
M  END
$$$$

     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
    6.7448    1.7293    1.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  4  0
 17 18  4  0
 18 13  4  0
M  END
$$$$

     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0
 17  8  4  0
 15 10  4  0
M  END
$$$$

     RDKit          3D

 24 24  0  0  0  0  0  0  0  0999 V2000
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 21 22  2  0
 10 23  1  0
 23 24  1  0
 21 15  1  0
M  END
$$$$

     RDKit          3D

 21 21  0  0  0  0  0  0  0  0999 V2000
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 12  5  4  0
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 19 20  1  0
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M  END
$$$$

     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
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 11  4  4  0
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 18 19  1  0
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M  END
$$$$

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 16 10  1  0
M  END
$$$$

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

 21 21  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 13  1  0
M  END
$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
    5.5042    2.1498   -3.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  1  6
 19 12  1  0
 18 14  1  0
 15 21  1  6
M  END
$$$$

     RDKit          3D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -6.7859    1.2657   -0.9846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2968   -0.3161   -1.7158 S   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
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  9 10  4  0
 10 11  4  0
 11 12  4  0
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 12 14  4  0
 14 15  4  0
 15  9  4  0
M  END
$$$$

     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -6.7859    1.2657   -0.9846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2968   -0.3161   -1.7158 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  4  3  1  6
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  9 10  4  0
 10 11  4  0
 11 12  4  0
 12 13  1  0
 13 14  1  0
 12 15  4  0
 15 16  4  0
 16  9  4  0
M  END
$$$$

     RDKit          3D

 14 13  0  0  0  0  0  0  0  0999 V2000
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   -4.2730    1.7212    0.9062 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.9213   -1.7805   -0.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6767   -1.1508   -0.0243 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  1  0
  2  6  1  0
  6  7  1  1
  6  8  2  0
  9 10  4  0
 10 11  4  0
 11 12  4  0
 12 13  4  0
 13 14  4  0
 14  9  4  0
M  CHG  1   5   1
M  END
$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    5.3390   -1.0491   -1.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2620   -0.1306   -0.5566 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8055   -1.8463   -0.1008 S   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  4  0
  5  6  4  0
  6  7  4  0
  7  8  4  0
  8  9  1  0
  9  1  1  0
  8  4  4  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 11  1  0
M  CHG  1  14   1
M  END
$$$$

     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.3390   -1.0491   -1.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2620   -0.1306   -0.5566 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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  4  5  4  0
  5  6  4  0
  6  7  4  0
  7  8  4  0
  8  9  1  0
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 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 11  1  0
M  CHG  1  14   1
M  END
$$$$

     RDKit          3D

 22 23  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
  4  5  1  0
  5  6  4  0
  6  7  4  0
  7  8  4  0
  8  9  4  0
  9 10  4  0
 10  5  4  0
 11 12  4  0
 12 13  4  0
 13 14  1  0
 14 15  4  0
 15 16  4  0
 16 17  4  0
 17 18  1  0
 17 19  4  0
 19 20  4  0
 13 21  4  0
 21 22  4  0
 22 11  4  0
 20 14  4  0
M  END
$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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   -2.9495    1.1676    0.6047 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
  5  6  4  0
  6  7  4  0
  7  8  4  0
  8  9  4  0
  9 10  4  0
 10  5  4  0
 11 12  4  0
 12 13  4  0
 13 14  1  0
 14 15  4  0
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 16 17  4  0
 17 18  4  0
 18 19  4  0
 13 20  4  0
 20 21  4  0
 21 11  4  0
 19 14  4  0
M  END
$$$$

     RDKit          3D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.5076    1.8079    1.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5584    0.6867    1.6273 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4509   -3.2907   -0.9525 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9128    1.4546   -1.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8020   -0.4419    0.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9809    1.7469    0.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6464    2.3844   -0.3914 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  4  0
  4  5  4  0
  5  6  1  0
  5  7  4  0
  7  8  4  0
  8  3  4  0
  9 10  4  0
 10 11  4  0
 11 12  1  0
 11 13  4  0
 13 14  4  0
 14  9  4  0
M  END
$$$$

     RDKit          3D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.5076    1.8079    1.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5584    0.6867    1.6273 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3243    0.2515   -1.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7078    0.4681    0.1536 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  4  0
  4  5  4  0
  5  6  1  0
  5  7  4  0
  7  8  4  0
  8  3  4  0
  9 10  4  0
 10 11  4  0
 11 12  4  0
 12 13  4  0
 13  9  4  0
M  END
$$$$

     RDKit          3D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.5076    1.8079    1.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5584    0.6867    1.6273 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4509   -3.2907   -0.9525 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4765   -0.2857   -0.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4689    0.7478   -0.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3243    0.2515   -1.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9128    1.4546   -1.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6464    2.3844   -0.3914 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9809    1.7469    0.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7078    0.4681    0.1536 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  4  0
  4  5  4  0
  5  6  1  0
  5  7  4  0
  7  8  4  0
  8  9  1  0
  8  3  4  0
 10 11  4  0
 11 12  4  0
 12 13  4  0
 13 14  4  0
 14 10  4  0
M  END
$$$$

     RDKit          3D

 22 22  0  0  0  0  0  0  0  0999 V2000
    4.2707    2.2555    0.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2476    1.1479    1.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6574   -0.1914    0.8405 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9796   -0.5993    1.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5442   -1.7393    0.5781 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8016   -2.4930   -0.3133 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4934   -2.1128   -0.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8837   -0.9768   -0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3147   -1.9865   -1.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2256   -1.2872   -1.0734 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.3160    2.1950    0.5938 N   0  0  0  0  0  4  0  0  0  0  0  0
   -7.4230    3.2591    1.2182 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2640    1.5707    0.0962 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.8640    2.3002    0.9711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5819    1.7607    0.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    0.5572    0.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   -0.0558   -0.0489 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9004    0.3674    0.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6900    1.3746    1.0767 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  7  4  0
  7  8  4  0
  8  3  4  0
  9 10  1  0
 10 11  1  0
 11 12  4  0
 12 13  4  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 13 17  4  0
 17 18  4  0
 18 19  4  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 19 11  4  0
M  CHG  2  14   1  16  -1
M  END
$$$$

     RDKit          3D

 25 26  0  0  0  0  0  0  0  0999 V2000
    4.2707    2.2555    0.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2476    1.1479    1.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6574   -0.1914    0.8405 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9796   -0.5993    1.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5442   -1.7393    0.5781 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5790   -0.0898    0.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2193   -0.5931    0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4189   -0.7556   -1.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8827   -1.1085   -1.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3584   -1.6148   -2.5719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3147   -1.9865   -1.6680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2256   -1.2872   -1.0734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5144   -0.1123   -0.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7981    0.4243   -0.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9665    1.6302    0.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3160    2.1950    0.5938 N   0  0  0  0  0  4  0  0  0  0  0  0
   -7.4230    3.2591    1.2182 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2640    1.5707    0.0962 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.8640    2.3002    0.9711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5819    1.7607    0.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    0.5572    0.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  7  4  0
  7  8  4  0
  8  9  1  0
  9 10  1  0
 11 10  1  1
 11 12  1  0
 12 13  1  0
 13 14  2  0
  8  3  4  0
 13  9  1  0
 15 16  1  0
 16 17  1  0
 17 18  4  0
 18 19  4  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 19 23  4  0
 23 24  4  0
 24 25  4  0
 25 17  4  0
M  CHG  2  20   1  22  -1
M  END
$$$$

     RDKit          3D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -3.5394    2.2441    0.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3516    0.8166   -0.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0481    0.2105    0.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8199   -1.2705   -0.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7706   -1.4366   -1.6377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9020   -2.1999    0.5162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2929   -1.8832    1.6770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2607   -3.1852   -0.1906 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.7759    0.2255    0.4958 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8277    0.3243    1.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0224    0.9597    1.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1730    1.5137   -0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1280    1.4367   -1.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9339    0.8004   -0.7719 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  1  1
  4  6  1  0
  6  7  2  0
  6  8  1  0
  9 10  4  0
 10 11  4  0
 11 12  4  0
 12 13  4  0
 13 14  4  0
 14  9  4  0
M  CHG  1   8  -1
M  END
$$$$

     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -7.4522    0.9261   -0.0925 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -5.6132    0.5214   -0.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7378   -0.9140    0.2352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9188   -0.0636   -0.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4333    1.0611   -1.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9481    0.3438   -1.3260 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6898    0.8311   -1.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1871    1.4540   -2.1264 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0672    0.5740    0.0040 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4216   -0.5471    0.8745 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4974   -1.7328    0.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0220   -1.3300    0.6943 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7116   -0.0871   -0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6918    1.0424    0.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  7  4  0
  7  2  4  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 15 14  1  1
 15 16  1  0
 16 11  1  0
M  END
$$$$

     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -5.4344   -2.7695    0.9352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6515   -2.6492   -0.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2885   -2.9620    0.1006 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7772    1.6159   -0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9563   -0.8004   -0.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4983   -1.7831   -0.9761 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8416   -0.8693   -0.1091 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4779   -0.7574   -0.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3011   -1.3272   -1.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4827    0.3737    0.6115 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7269    0.8964    1.4575 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1623    1.8775    2.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  7  4  0
  7  8  4  0
  8  9  4  0
  9 10  1  0
 10 11  4  0
 11 12  4  0
 12 13  4  0
 13 14  4  0
  9 15  4  0
 15 16  4  0
 16  3  4  0
 16  6  4  0
 14 10  4  0
 17 18  1  0
 18 19  1  0
 19 20  4  0
 20 21  4  0
 21 22  1  0
 21 23  4  0
 23 24  4  0
 24 25  4  0
 25 26  1  0
 26 27  1  0
 25 19  4  0
M  END
$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -7.8617    1.9267    0.3997 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.3587    1.3270   -0.2063 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 17  1  1
 14  9  4  0
 18 12  1  0
M  END
$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 10  4  4  0
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 21 20  1  1
 17 12  4  0
 21 15  1  0
M  CHG  1   2   1
M  END
$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 10  4  4  0
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 22 21  1  1
 18 13  4  0
 22 16  1  0
M  CHG  1   2   1
M  END
$$$$

     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 11  3  4  0
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 13 14  1  0
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 17 13  1  0
M  END
$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 17 18  4  0
 13  8  4  0
 18 14  4  0
M  CHG  1   3   1
M  END
$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 18 20  1  0
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 17 12  4  0
M  CHG  1   2   1
M  END
$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 19 10  1  0
 16 11  4  0
M  CHG  1   2   1
M  END
$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    2.6237   -1.5213   -0.4020 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
  7  8  1  0
  8  3  1  0
  9 10  2  0
 10 11  1  0
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 13 14  4  0
 14 15  4  0
 15 16  4  0
 16 17  1  0
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 17 19  1  0
 19 10  1  0
 16 11  4  0
M  CHG  1   2   1
M  END
$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    8.0376    1.6119   -0.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6100    1.5898   -0.5408 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
  5  6  4  0
  6  7  4  0
  7  8  4  0
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 10  5  4  0
 11 12  1  0
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 16 17  4  0
 17 18  4  0
 18 19  4  0
 14 20  4  0
 20 21  4  0
 21 12  4  0
 19 15  4  0
M  END
$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    8.0376    1.6119   -0.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9827   -1.3284    0.2191 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  4  0
  6  7  4  0
  7  8  4  0
  8  9  4  0
  9  5  4  0
 10 11  1  0
 11 12  4  0
 12 13  4  0
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 15 16  4  0
 16 17  4  0
 17 18  4  0
 13 19  4  0
 19 20  4  0
 20 11  4  0
 18 14  4  0
M  END
$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.6359   -0.8681    2.3366 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5343   -1.2869    1.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0419    2.8564   -0.8036 C   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  0
  5  6  1  0
  6  7  1  0
  7  8  1  1
  8  9  4  0
  9 10  4  0
 10 11  4  0
 11 12  4  0
  7 13  1  0
 13  3  1  0
 12  8  4  0
 14 15  4  0
 15 16  4  0
 16 17  4  0
 17 18  1  0
 17 19  4  0
 19 20  4  0
 20 14  4  0
M  END
$$$$

     RDKit          3D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -2.8264    4.0882   -0.5335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6341    4.3245    0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  4  0
  2  3  4  0
  3  4  4  0
  4  5  1  0
  5  6  4  0
  6  7  4  0
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  9 10  4  0
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 14  1  4  0
 13  5  4  0
 12  7  4  0
 15 16  4  0
 16 17  4  0
 17 18  4  0
 18 19  4  0
 19 15  4  0
M  END
$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.7528   -1.3382    1.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5956   -0.3463    1.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  4  0
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 18 19  4  0
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 11 21  4  0
 21  8  4  0
 20 12  4  0
 19 14  4  0
M  END
$$$$

     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
    4.7531    1.6421    2.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  4  0
 11 12  4  0
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 13 14  2  0
 13 15  1  0
 12 16  4  0
 16 17  4  0
 17  9  4  0
M  END
$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.7531    1.6421    2.3544 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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  7  3  4  0
 13  8  4  0
 14 15  1  0
 15 16  4  0
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 17 18  4  0
 18 19  4  0
 19 20  4  0
 20 15  4  0
M  END
$$$$

     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
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   -4.6661    0.2396   -1.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5961    0.8720    0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  7  4  0
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  9 10  4  0
 10 11  4  0
 11 12  4  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 12 16  4  0
 16  9  4  0
M  END
$$$$

     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -5.9686   -0.2315   -1.6503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6661    0.2396   -1.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0102    0.8843    0.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  4  0
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  5 12  4  0
 12 13  4  0
 13 14  1  0
 13  2  4  0
 15 16  4  0
 16 17  4  0
 17 18  4  0
 18 19  4  0
 19 15  4  0
M  CHG  1  11  -1
M  END
$$$$

     RDKit          3D

 15 15  0  0  0  0  0  0  0  0999 V2000
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   -4.6661    0.2396   -1.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  7  4  0
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  9 10  4  0
 10 11  4  0
 11 12  4  0
 12 13  1  0
 13 14  1  0
 12 15  4  0
 15  9  4  0
M  END
$$$$

     RDKit          3D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.7002    1.8811    1.9602 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2335    2.1087    2.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2317    1.0264    0.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  9  8  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 10 14  1  0
 14  1  1  0
  9  3  1  0
 13 11  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
M  CHG  2   5   1  17   1
M  END
$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.7002    1.8811    1.9602 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2335    2.1087    2.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  8  7  1  6
  8  9  1  0
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 10 11  1  0
 11 12  1  0
  9 13  1  0
 13  1  1  0
  8  3  1  0
 12 10  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
M  CHG  2   5   1  16   1
M  END
$$$$

     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -7.2238    0.8860   -0.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7649   -0.5643   -0.5560 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  4  0
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 11  3  4  0
 12 13  4  0
 13 14  4  0
 14 15  4  0
 15 16  4  0
 16 17  4  0
 17 12  4  0
M  END
$$$$

     RDKit          3D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -7.2238    0.8860   -0.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7649   -0.5643   -0.5560 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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  6  7  4  0
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  9 10  4  0
 10 11  4  0
 11 12  4  0
 12 13  1  0
 13 14  1  0
 12 15  4  0
 15  8  4  0
M  END
$$$$

     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -7.2238    0.8860   -0.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7649   -0.5643   -0.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  4  0
  5  6  4  0
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  7 10  1  0
 10 11  1  0
  6 12  4  0
 12  3  4  0
 13 14  4  0
 14 15  4  0
 15 16  4  0
 16 17  4  0
 17 18  4  0
 18 13  4  0
M  END
$$$$

     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
    2.0136    1.0739    0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 14  4  0
M  END
$$$$

     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 19 13  4  0
M  END
$$$$

     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0
 16 18  4  0
 18 12  4  0
M  END
$$$$

     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 11 12  1  0
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 15 16  4  0
 16 17  4  0
 17 13  4  0
M  END
$$$$

     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 19 12  4  0
M  END
$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 22 10  4  0
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M  END
$$$$

     RDKit          3D

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

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 18 19  4  0
 19 20  4  0
 20 15  4  0
M  END
$$$$

     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -6.7420   -0.6569   -1.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
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$$$$

     RDKit          3D

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

     RDKit          3D

 15 15  0  0  0  0  0  0  0  0999 V2000
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$$$$

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 18 12  4  0
M  END
$$$$

     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 18 12  4  0
M  END
$$$$

     RDKit          3D

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

     RDKit          3D

 16 15  0  0  0  0  0  0  0  0999 V2000
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 16  7  4  0
M  END
$$$$

     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 24 10  4  0
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M  END
$$$$

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  16   1  17  -1
M  END
$$$$

     RDKit          3D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.3003   -3.5849   -0.6854 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2037   -2.1518   -0.8401 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8535    0.9617   -0.7738 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
  6  4  1  6
  6  7  1  0
  7  8  1  6
  8  9  2  0
  7 10  1  0
 10 11  1  6
 11 12  2  0
 13 12  1  1
 13 14  1  0
 14 15  1  1
 16 15  1  1
  8  3  1  0
 16 10  1  0
 13  6  1  0
 16 14  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  4  0
 21 22  4  0
 22 23  4  0
 23 24  4  0
 24 25  4  0
 25 20  4  0
M  CHG  2  18   1  19  -1
M  END
$$$$

     RDKit          3D

 18 17  0  0  0  0  0  0  0  0999 V2000
   -3.5242    1.1936    1.7508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1280    2.3727    0.8701 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8034    1.2784   -0.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8304    1.8309    0.2100 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  4  0
  6  7  4  0
  7  8  4  0
  8  9  4  0
  9 10  4  0
 10  5  4  0
 12 11  1  6
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  3  0
M  CHG  1  13   1
M  END
$$$$

     RDKit          3D

 16 15  0  0  0  0  0  0  0  0999 V2000
   -3.5242    1.1936    1.7508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1280    2.3727    0.8701 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8034    1.2784   -0.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8304    1.8309    0.2100 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  4  0
  6  7  4  0
  7  8  4  0
  8  9  4  0
  9 10  4  0
 10  5  4  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  3  0
M  CHG  1  12   1
M  END
$$$$

     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
    6.0920    1.7665   -2.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3272    1.7175   -0.8986 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4598    0.7175   -1.3701 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  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  1
  8  3  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  4  0
 13 14  4  0
 14 15  4  0
 15 16  4  0
 16 17  4  0
 10 18  1  0
 18 19  4  0
 19 20  4  0
 20 21  4  0
 21 22  4  0
 22 23  4  0
 17 12  4  0
 23 18  4  0
M  END
$$$$

     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.0920    1.7665   -2.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3272    1.7175   -0.8986 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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  7  8  1  1
  8  3  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  4  0
 13 14  4  0
 14 15  4  0
 15 16  1  0
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 17 18  4  0
 10 19  1  0
 19 20  4  0
 20 21  4  0
 21 22  4  0
 22 23  4  0
 23 24  4  0
 18 12  4  0
 24 19  4  0
M  END
$$$$

     RDKit          3D

 21 21  0  0  0  0  0  0  0  0999 V2000
    6.0920    1.7665   -2.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3272    1.7175   -0.8986 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
  7  8  1  1
  8  9  2  0
  8 10  1  0
 10 11  1  0
  7 12  1  0
 12  3  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  4  0
 17 18  4  0
 18 19  4  0
 19 20  4  0
 20 21  4  0
 21 16  4  0
M  END
$$$$

     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
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    5.3272    1.7175   -0.8986 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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  7  8  1  1
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  8 10  1  0
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 11  3  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  4  0
 16 17  4  0
 17 18  4  0
 18 19  4  0
 19 20  4  0
 20 15  4  0
M  END
$$$$

     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.0920    1.7665   -2.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 13  9  1  0
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M  END
$$$$

     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 13  9  1  0
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M  END
$$$$

     RDKit          3D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  5  6  4  0
  6  7  4  0
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  2  9  1  0
  9 10  1  0
 10 11  1  1
 11 12  1  0
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 13 14  1  6
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 16 17  4  0
 17 18  4  0
 18 19  1  0
 18 20  4  0
  8  3  4  0
 13  9  1  0
 20 14  4  0
 21 22  4  0
 22 23  4  0
 23 24  4  0
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 25 26  1  0
 24 27  4  0
 27 28  4  0
 28 21  4  0
M  END
$$$$

     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.1632   -3.5034    2.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7090   -2.1871    2.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 10  4  0
 10  2  4  0
 11 12  1  0
 13 12  1  1
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 17 18  4  0
 18 19  4  0
 19 20  1  0
 19 14  4  0
M  END
$$$$

     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
    2.1632   -3.5034    2.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7090   -2.1871    2.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 10  4  0
 10  2  4  0
 11 12  1  0
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 13 14  4  0
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 15 16  4  0
 16 17  4  0
 17 12  4  0
M  END
$$$$

     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
    2.1632   -3.5034    2.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7090   -2.1871    2.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 10  1  1
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 16 17  4  0
 17 18  1  0
 17 12  4  0
M  END
$$$$

     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.1632   -3.5034    2.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7090   -2.1871    2.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0
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 13 14  4  0
 14 15  4  0
 15 16  4  0
 16 11  4  0
M  END
$$$$

     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.1632   -3.5034    2.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7090   -2.1871    2.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  4  0
 15 16  4  0
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 17 18  4  0
 18 19  4  0
 19 20  1  0
 19 14  4  0
M  END
$$$$

     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
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    2.7090   -2.1871    2.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  4  0
 18 19  1  0
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M  END
$$$$

     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
    2.1632   -3.5034    2.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  9  1  1
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 15 16  4  0
 16 17  1  0
 16 11  4  0
M  END
$$$$

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          3D

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

     RDKit          3D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          3D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 23 19  1  0
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 29 30  4  0
 30 24  4  0
M  END
$$$$

     RDKit          3D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  5  4  0
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 26 22  4  0
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M  END
$$$$

     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 17 18  4  0
 18 13  4  0
M  END
$$$$

     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -5.2835   -1.6582    0.9342 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  4  0
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 13 16  4  0
 16 17  4  0
 17 10  4  0
M  END
$$$$

     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 17 18  4  0
 18 19  4  0
 19 14  4  0
M  END
$$$$

     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 10 11  4  0
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 15 16  4  0
 16 10  4  0
M  END
$$$$

     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 16 18  4  0
 18 19  4  0
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M  END
$$$$

     RDKit          3D

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

     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 10 11  4  0
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 13 17  4  0
 17 18  4  0
 18 10  4  0
M  END
$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.1318    1.3087    0.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7737    0.9500    0.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  1  0
 11 20  4  0
 20 21  4  0
 21  9  4  0
 18 13  4  0
M  END
$$$$

     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
    2.7886   -0.1827    2.8772 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3470    0.8521    1.8558 C   0  0  2  0  0  0  0  0  0  0  0  0
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 13 14  4  0
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M  CHG  1   7   1
M  END
$$$$

     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.7886   -0.1827    2.8772 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3470    0.8521    1.8558 C   0  0  2  0  0  0  0  0  0  0  0  0
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  6  5  1  1
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 16 11  4  0
M  CHG  1   7   1
M  END
$$$$

     RDKit          3D

 26 27  0  0  0  0  0  0  0  0999 V2000
    4.4816    1.6768   -1.9726 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3652    0.8295   -1.3529 C   0  0  2  0  0  0  0  0  0  0  0  0
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 10  3  4  0
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 22 23  4  0
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 24 25  4  0
 25 26  4  0
 26 21  4  0
M  END
$$$$

     RDKit          3D

 25 26  0  0  0  0  0  0  0  0999 V2000
    4.4816    1.6768   -1.9726 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  3  4  0
 17 18  1  0
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 22 23  4  0
 23 24  4  0
 24 25  4  0
 25 20  4  0
M  END
$$$$

     RDKit          3D

 21 21  0  0  0  0  0  0  0  0999 V2000
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 17 19  1  0
 15 20  4  0
 20 21  4  0
 21 12  4  0
M  END
$$$$

     RDKit          3D

 15 15  0  0  0  0  0  0  0  0999 V2000
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 14  9  4  0
M  END
$$$$

     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 19 12  4  0
M  END
$$$$

     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
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 17 12  4  0
M  END
$$$$

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 11 15  4  0
 15 16  4  0
 16  8  4  0
M  END
$$$$

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

 12 11  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  1  0
  6  7  4  0
  7  8  4  0
  8  9  4  0
  9 10  1  0
 10 11  1  0
  9 12  4  0
 12  6  4  0
M  END
$$$$

     RDKit          3D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -1.5510    1.6142   -1.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1454    1.3533   -0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9413    1.0509   -0.5064 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  1  0
  3  6  1  0
  7  8  4  0
  8  9  4  0
  9 10  4  0
 10 11  1  0
 11 12  1  0
 10 13  4  0
 13  7  4  0
M  END
$$$$

     RDKit          3D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -1.5510    1.6142   -1.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1454    1.3533   -0.1752 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
  3  6  1  0
  7  8  4  0
  8  9  4  0
  9 10  4  0
 10 11  1  0
 10 12  4  0
 12  7  4  0
M  END
$$$$

     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -6.2976    1.5037    0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8965    1.6248    0.6326 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3356    1.4525    0.4272 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1476    0.4977   -0.0474 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5904   -1.3773   -0.3192 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  1  0
  5  6  1  0
  6  1  1  0
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  8  9  4  0
  9 10  4  0
 10 11  4  0
 11 12  4  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
 12 19  4  0
 19  8  4  0
M  END
$$$$

     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -2.3523    0.3092    1.9407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5665    0.8223    0.5044 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.5904   -1.3773   -0.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  1  1
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  5  1  0
 11 12  1  0
 12 13  4  0
 13 14  4  0
 14 15  4  0
 15 16  4  0
 16 17  4  0
 17 12  4  0
M  END
$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -5.5415   -2.7001    3.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4527   -1.8607    2.9289 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
  2  4  1  0
  4  5  1  0
  5  6  4  0
  6  7  4  0
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  9 10  4  0
 10  5  4  0
 11 12  4  0
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 13 14  4  0
 14 15  4  0
 15 16  4  0
 16 17  4  0
 17 18  4  0
 18 19  4  0
 19 11  4  0
 18 14  4  0
M  END
$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -5.5415   -2.7001    3.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4527   -1.8607    2.9289 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
  2  4  1  0
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  5  6  4  0
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 10  5  4  0
 11 12  4  0
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 14 15  4  0
 15 16  4  0
 16 17  1  0
 17 18  1  0
 16 19  4  0
 19 20  4  0
 20 21  4  0
 21 11  4  0
 20 14  4  0
M  END
$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0
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 10  5  4  0
 11 12  4  0
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 16 17  1  0
 16 18  4  0
 18 19  4  0
 19 20  4  0
 20 11  4  0
 19 14  4  0
M  END
$$$$

     RDKit          3D

 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
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 10 11  1  0
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 14 15  1  0
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 16 17  4  0
 17 18  4  0
 18 19  1  0
 19 20  1  0
 18 12  4  0
M  END
$$$$

     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 18 12  4  0
M  END
$$$$

     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 17 18  4  0
 18 19  1  0
 18 12  4  0
M  END
$$$$

     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 16 11  4  0
M  CHG  1   3   1
M  END
$$$$

     RDKit          3D

 15 15  0  0  0  0  0  0  0  0999 V2000
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 10 11  4  0
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 13 14  4  0
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 15 10  4  0
M  CHG  1   3   1
M  END
$$$$

     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 24 14  4  0
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M  END
$$$$

     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 21 22  2  0
 21 23  4  0
 10 24  1  0
 23 13  4  0
 20 15  4  0
M  END
$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 20 21  4  0
 21 10  4  0
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M  END
$$$$

     RDKit          3D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

 13 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          3D

 13 12  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          3D

 12 11  0  0  0  0  0  0  0  0999 V2000
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 10 11  4  0
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M  END
$$$$

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 11  9  1  0
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 15 23  4  0
 23 24  4  0
 24 12  4  0
 22 17  4  0
M  END
$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 11  2  4  0
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 18 19  1  0
 18 20  4  0
 20 21  4  0
 21 15  4  0
M  END
$$$$

     RDKit          3D

 15 15  0  0  0  0  0  0  0  0999 V2000
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 13 14  4  0
 14 15  4  0
 15 10  4  0
M  END
$$$$

     RDKit          3D

 22 22  0  0  0  0  0  0  0  0999 V2000
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 10  2  4  0
 17 18  4  0
 18 19  4  0
 19 20  4  0
 20 21  4  0
 21 22  4  0
 22 17  4  0
M  CHG  2   6   1   8  -1
M  END
$$$$

     RDKit          3D

 23 23  0  0  0  0  0  0  0  0999 V2000
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 10  2  4  0
 18 19  4  0
 19 20  4  0
 20 21  4  0
 21 22  4  0
 22 23  4  0
 23 18  4  0
M  CHG  2   6   1   8  -1
M  END
$$$$

     RDKit          3D

 23 23  0  0  0  0  0  0  0  0999 V2000
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 10  2  4  0
 17 18  4  0
 18 19  4  0
 19 20  4  0
 20 21  1  0
 20 22  4  0
 22 23  4  0
 23 17  4  0
M  CHG  2   6   1   8  -1
M  END
$$$$

     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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 10  2  4  0
 12 11  1  6
 12 13  1  0
 13 14  1  0
 14 15  4  0
 15 16  4  0
 16 17  4  0
 17 18  4  0
 18 19  4  0
 19 14  4  0
M  CHG  2   6   1   8  -1
M  END
$$$$

     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
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 10  2  4  0
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 18 19  4  0
 12 20  1  1
 19 14  4  0
M  CHG  2   6   1   8  -1
M  END
$$$$

     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
    4.5113   -0.8668   -1.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0591    1.1855   -0.9993 C   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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  5  6  1  0
  6  7  1  0
  8  7  1  1
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 10 11  1  0
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 13 14  4  0
 14 15  4  0
 15 16  4  0
 16 17  1  0
 16 12  4  0
M  END
$$$$

     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
    4.5113   -0.8668   -1.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0874    0.1592   -0.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9  8  1  1
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 11 12  1  0
 12 13  1  0
 13 14  4  0
 14 15  4  0
 15 16  4  0
 16 17  4  0
 17 18  1  0
 17 13  4  0
M  END
$$$$

     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
    5.0961    0.2431    1.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  6  4  0
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 10 11  4  0
 11  2  4  0
 11  6  4  0
 13 12  1  6
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 14 15  1  0
 15 16  1  0
 16 14  1  0
M  END
$$$$

     RDKit          3D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -1.7082   -2.8250    0.7082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3374   -1.5982    0.3362 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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  7  8  1  0
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  9 10  4  0
 10 11  4  0
 11 12  1  0
 11 13  4  0
 13 14  4  0
 14  8  4  0
M  END
$$$$

     RDKit          3D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -1.7082   -2.8250    0.7082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3374   -1.5982    0.3362 O   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0
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  9 10  4  0
 10 11  4  0
 11 12  4  0
 12 13  4  0
 13  8  4  0
M  END
$$$$

     RDKit          3D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -1.7082   -2.8250    0.7082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3374   -1.5982    0.3362 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0
  3  5  1  0
  6  7  1  0
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  8  9  4  0
  9 10  4  0
 10 11  1  0
 10 12  4  0
 12 13  4  0
 13  7  4  0
M  END
$$$$

     RDKit          3D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -1.7082   -2.8250    0.7082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3374   -1.5982    0.3362 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  4  0
 10 11  4  0
 11 12  4  0
 12  7  4  0
M  END
$$$$

     RDKit          3D

 21 21  0  0  0  0  0  0  0  0999 V2000
   -5.6121    2.5086   -0.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5108    1.0068   -1.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  1  0
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 17 20  1  0
 16 21  4  0
 21 12  4  0
M  END
$$$$

     RDKit          3D

 22 22  0  0  0  0  0  0  0  0999 V2000
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 20 21  4  0
 21 22  4  0
 22 17  4  0
M  END
$$$$

     RDKit          3D

 18 18  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  1  0
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 13 14  4  0
 14 15  4  0
 15 16  4  0
 16 17  4  0
 17 18  4  0
 18 13  4  0
M  END
$$$$

     RDKit          3D

 20 20  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  9  1  6
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 14 15  4  0
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 16 18  1  0
 16 19  1  0
 15 20  4  0
 20 11  4  0
M  END
$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  4  0
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 10 11  4  0
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 14 15  1  6
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 16 18  1  0
 13  8  4  0
 18 11  1  0
M  END
$$$$

     RDKit          3D

 17 16  0  0  0  0  0  0  0  0999 V2000
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   -5.6007   -0.6704    0.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  4  0
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 10 11  1  0
 11 12  1  0
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 13 14  1  0
  9 15  1  0
 15 16  2  0
 15 17  1  0
M  END
$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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    7.8362   -0.1616   -0.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 19  4  0
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 20 10  4  0
 18 14  4  0
M  END
$$$$

     RDKit          3D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10 11  4  0
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 12  2  4  0
 11  6  4  0
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 20 21  4  0
 21 22  4  0
 16 23  4  0
 23 13  4  0
 22 17  4  0
M  END
$$$$

     RDKit          3D

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

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
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   -2.4184    0.0383    2.6150 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  4  0
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 19 13  4  0
M  CHG  1  11   1
M  END
$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
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  2  5  1  0
  5  6  1  0
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  9 10  1  0
 10  5  1  0
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 17 18  4  0
 18 19  4  0
 19 20  4  0
 20 21  4  0
 21 22  4  0
 16 12  1  0
 22 17  4  0
M  END
$$$$

     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 12  5  4  0
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M  END
$$$$

     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 22 23  4  0
 23 24  4  0
 24 25  4  0
 25 26  4  0
 26 27  4  0
 21 17  1  0
 27 22  4  0
M  END
$$$$

     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 22 23  4  0
 17 24  1  0
 24 13  1  0
 23 18  4  0
M  END
$$$$

     RDKit          3D

 25 26  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0
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 25 14  1  0
 24 19  4  0
M  END
$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 19 20  4  0
 20 21  4  0
 15 11  1  0
 21 16  4  0
M  END
$$$$

     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 16 23  1  0
 23 12  1  0
 22 17  4  0
M  END
$$$$

     RDKit          3D

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

     RDKit          3D

 16 16  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
  3  5  1  0
  6  5  1  6
  6  7  1  0
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  9 10  4  0
 10 11  4  0
 11  7  4  0
 12 13  4  0
 13 14  4  0
 14 15  4  0
 15 16  4  0
 16 12  4  0
M  END
$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6280    1.9762    3.3629 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  5  4  0
 14 15  4  0
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 16 17  4  0
 17 18  4  0
 18 14  4  0
M  CHG  1  10   1
M  END
$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  6
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  2 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
  9  5  1  0
 16 10  1  0
 17 18  4  0
 18 19  4  0
 19 20  4  0
 20 21  4  0
 21 22  4  0
 22 17  4  0
M  END
$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0
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 16 17  4  0
 17 18  4  0
 18 19  4  0
 13 20  4  0
 20 21  4  0
 21 11  4  0
 19 14  4  0
M  END
$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  6
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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 10 11  1  0
 11 12  4  0
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 15 16  4  0
 16 17  4  0
 17 18  4  0
 18 19  4  0
 13 20  4  0
 20 21  4  0
 21 22  1  0
 21 11  4  0
 19 14  4  0
M  END
$$$$

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  3  4  4  0
  4  5  4  0
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 15 23  4  0
 23 24  4  0
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 25 10  4  0
 25 13  4  0
 22 16  4  0
M  END
$$$$

     RDKit          3D

 19 18  0  0  0  0  0  0  0  0999 V2000
    8.4076   -0.7050    0.9142 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  2  0
  4  6  1  0
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 13 14  1  0
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 13 18  4  0
 18 19  4  0
 19 10  4  0
M  END
$$$$

     RDKit          3D

 17 16  0  0  0  0  0  0  0  0999 V2000
   -6.6647    1.0856    0.8194 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  4  0
 11 12  1  0
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 12 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
M  END
$$$$

     RDKit          3D

 18 17  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0
 13 15  1  0
 13 16  1  0
 12 17  4  0
 17 18  4  0
 18  9  4  0
M  END
$$$$

     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 10  2  4  0
 10  5  4  0
 11 12  4  0
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 16 11  4  0
M  CHG  1   2   1
M  END
$$$$

     RDKit          3D

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

     RDKit          3D

 18 17  0  0  0  0  0  0  0  0999 V2000
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 12  3  4  0
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 17 18  1  0
M  END
$$$$

     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -8.5414   -3.8809   -0.9928 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 25  4  0
 25 26  1  0
 25 15  4  0
 24 19  1  0
M  CHG  1  22   1
M  END
$$$$

     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10 11  4  0
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 12  4  4  0
 11  7  4  0
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 22 23  1  0
 22 24  1  0
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 18 26  4  0
 26 27  1  0
 26 15  4  0
 25 19  1  0
M  CHG  1  22   1
M  END
$$$$

     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10 11  4  0
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  2 14  1  0
 13  4  4  0
 12  6  4  0
 15 16  4  0
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 22 23  4  0
 23 24  4  0
 24 25  4  0
 18 26  4  0
 26 27  4  0
 27 15  4  0
 25 20  4  0
M  CHG  1   2   1
M  END
$$$$

     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 13  4  4  0
 12  6  4  0
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 22 23  4  0
 23 24  4  0
 17 25  4  0
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 26 14  4  0
 24 19  4  0
M  CHG  1   2   1
M  END
$$$$

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10  2  4  0
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 19 20  1  0
 20 21  1  0
 16 11  4  0
 21 13  1  0
M  END
$$$$

     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10  2  4  0
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 19 20  1  0
 16 11  4  0
 20 13  1  0
M  END
$$$$

     RDKit          3D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 10  2  4  0
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 16 11  4  0
 19 13  1  0
M  END
$$$$

     RDKit          3D

 13 13  0  0  0  0  0  0  0  0999 V2000
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 10 11  4  0
 11 12  4  0
 12 13  4  0
 13  9  4  0
M  END
$$$$

     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
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  4  5  2  0
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 19 20  4  0
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M  END
$$$$

     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
    7.2579    2.5979   -0.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  4  0
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 16 17  4  0
 17 18  4  0
 18 13  4  0
M  END
$$$$

     RDKit          3D

 17 16  0  0  0  0  0  0  0  0999 V2000
    7.2579    2.5979   -0.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  4  0
 14 15  4  0
  8 16  1  0
 16 17  2  0
 15 10  4  0
M  END
$$$$

     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 16 18  4  0
 18 19  4  0
 19 13  4  0
M  END
$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 14 20  4  0
 20 10  4  0
 19 15  1  0
M  END
$$$$

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

 16 15  0  0  0  0  0  0  0  0999 V2000
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 16  9  4  0
M  END
$$$$

     RDKit          3D

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

     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0
M  END
$$$$

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

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

     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  4  0
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 16  2  4  0
 13  6  4  0
 18 19  4  0
 19 20  4  0
 20 21  4  0
 21 22  4  0
 22 23  4  0
 23 18  4  0
M  END
$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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 13  2  4  0
 10  6  4  0
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 19 20  4  0
 20 21  4  0
 21 22  4  0
 22 17  4  0
M  END
$$$$

     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
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   -3.5923    0.1630   -0.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  4  0
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 17 18  4  0
 18 19  1  0
 18 13  4  0
M  END
$$$$

     RDKit          3D

 18 18  0  0  0  0  0  0  0  0999 V2000
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   -3.5923    0.1630   -0.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0
 12 13  4  0
 13 14  4  0
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 15 16  4  0
 16 17  4  0
 17 18  1  0
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M  END
$$$$

     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.8158    0.2169   -0.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1319    0.5063    0.6673 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 12  4  0
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M  CHG  1   3   1
M  END
$$$$

     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.8158    0.2169   -0.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1319    0.5063    0.6673 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 10  4  0
 18 12  1  0
M  CHG  1   3   1
M  END
$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 14 20  1  0
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 13  9  4  0
 22 11  1  0
M  CHG  1   3   1
M  END
$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0
 13 20  1  0
 20 21  1  0
 21 22  1  0
 12  8  4  0
 22 10  1  0
M  CHG  1   3   1
M  END
$$$$

     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.8158    0.2169   -0.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  7  1  0
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  6  2  4  0
 10 11  1  0
 11 12  4  0
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 14 15  4  0
 14 16  1  0
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 17 18  1  0
 18 19  1  0
 15 11  4  0
 19 13  1  0
M  CHG  1   3   1
M  END
$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.8158    0.2169   -0.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
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 10 11  4  0
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 16 17  2  0
 16 18  1  0
 13 19  1  0
 19 20  1  0
 20 21  1  0
 12  8  4  0
 21 10  1  0
M  CHG  1   3   1
M  END
$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.3405    0.0214    2.8603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4529    0.6812    1.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
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  8  9  1  1
  9 10  2  0
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 12 13  1  0
  6  2  4  0
 13  5  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  4  0
 18 19  4  0
 19 20  4  0
 20 21  4  0
 21 17  4  0
M  END
$$$$

     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.3405    0.0214    2.8603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4529    0.6812    1.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  4  0
  3  4  4  0
  4  5  4  0
  5  6  4  0
  6  7  1  0
  7  8  1  0
  8  9  1  1
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  4  0
 13 14  4  0
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 17 18  4  0
  8 19  1  0
 19 20  1  0
  6  2  4  0
 18 12  4  0
 20  5  1  0
 21 22  4  0
 22 23  4  0
 23 24  4  0
 24 25  4  0
 25 21  4  0
M  END
$$$$

     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.3405    0.0214    2.8603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4529    0.6812    1.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0
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 23 24  4  0
 24 25  4  0
 20 14  4  0
 25 21  4  0
M  END
$$$$

     RDKit          3D

 15 15  0  0  0  0  0  0  0  0999 V2000
    7.3086   -1.7616   -1.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  1
 13 15  1  0
 15  9  1  0
M  END
$$$$

     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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 10  9  1  6
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  1
 14 16  1  0
 16 10  1  0
M  END
$$$$

     RDKit          3D

 15 15  0  0  0  0  0  0  0  0999 V2000
    7.3086   -1.7616   -1.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5516   -0.8146   -0.4254 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  9  1  1
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 15 10  1  0
M  END
$$$$

     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 22 23  4  0
 16 11  1  0
 23 17  4  0
M  END
$$$$

     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0
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M  END
$$$$

     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 22 23  1  0
 16 11  1  0
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M  END
$$$$

     RDKit          3D

 13 12  0  0  0  0  0  0  0  0999 V2000
    3.6171    1.1858   -0.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7166   -0.0149   -0.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  2  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
M  END
$$$$

     RDKit          3D

 12 11  0  0  0  0  0  0  0  0999 V2000
    3.6171    1.1858   -0.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7166   -0.0149   -0.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 10  1  0
 10 11  1  0
 10 12  1  0
M  END
$$$$

     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.0732    2.8905    1.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6141    2.0553    0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  4  0
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 20 21  1  0
 20 11  4  0
 18 14  1  0
M  END
$$$$

     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
    2.0732    2.8905    1.1610 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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 10  2  4  0
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M  END
$$$$
