
     RDKit          3D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.6234    1.8954    0.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0318   -1.7755   -0.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7289   -0.1134    1.1876 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  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
  8 18  1  0
  6  2  1  0
 16 12  1  0
 18  3  1  0
M  END
$$$$

     RDKit          3D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.8547    2.2184    1.5929 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0422    1.3139    0.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
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 13 14  2  0
 14 15  1  0
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 16 17  1  0
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 19 21  1  0
 12 22  1  0
 22 23  2  0
 23  2  1  0
  8  3  1  0
 23  9  1  0
 18 13  1  0
M  CHG  2  19   1  21  -1
M  END
$$$$

     RDKit          3D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -7.6914    0.1996   -2.5904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9935    0.3260   -1.2056 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4235    0.6445    2.1937 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5078    2.1208    1.3846 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2364    1.7195   -0.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3904    2.5230   -0.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0474    0.0692   -2.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5432    0.1501    0.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6376   -0.9547   -0.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6800   -1.6390   -1.2039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5669    0.2059   -0.9567 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
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
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 20 21  1  0
 21 22  1  0
 21 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 27  2  0
  7 28  2  0
 28  3  1  0
 26 16  1  0
 25 19  2  0
M  END
$$$$

     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.2939   -4.9414   -0.5502 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5565   -4.6547    0.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2243   -3.3899   -0.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3545   -2.2832   -0.0400 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8626   -1.1148   -0.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1429   -1.0410   -1.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6566    0.1713   -1.5479 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9252    1.3583   -1.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4189    2.5627   -1.9481 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7751    3.7609   -1.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6369    1.2624   -0.9134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0951    0.0527   -0.4601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2850    0.1236    0.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7658    1.2563    0.5316 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0405    1.1534    0.9816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8425    0.0382    1.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3227   -1.2031    0.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9661   -2.2473    0.4846 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0157   -1.0661    0.0521 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
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  6  7  1  0
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 12 13  2  0
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 17 18  1  0
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 21 22  1  0
 17 23  1  0
 23 24  2  0
 23 25  1  0
 13  5  1  0
 25 14  1  0
 21 16  1  0
M  END
$$$$

     RDKit          3D

 25 26  0  0  0  0  0  0  0  0999 V2000
    8.0970    1.3453   -0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9574    2.0067    0.5160 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
  4  5  1  0
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  6  7  1  0
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  8  9  1  0
  8 10  1  0
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  6 24  1  0
 24 25  2  0
 25  3  1  0
 23 12  1  0
M  END
$$$$

     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
    1.6532   -1.0685    1.9544 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0569   -0.4963    0.7128 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  2  0
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  4 12  2  0
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 21 22  2  0
 22 23  1  0
 22 24  1  0
 18  2  1  0
 11  6  1  0
M  END
$$$$

     RDKit          3D

 34 37  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

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

     RDKit          3D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          3D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          3D

 30 32  0  0  0  0  0  0  0  0999 V2000
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   -6.2736    0.1973    1.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4645    0.8408    1.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4344    2.0965    2.5803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2143    2.7078    2.8575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0233    2.0645    2.5301 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
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 14 18  1  0
 10 19  1  0
 19 20  2  0
  5 21  1  0
 21 22  2  0
 21 23  2  0
 21 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 20  7  1  0
 30 25  1  0
 18 11  1  0
M  END
$$$$
