PTX
  CCTOOLS-1004241122

 29 29  0  0  0  0  0  0  0  0999 V2000
    3.2970    0.6130   -0.2080 P   0  0  0  0  0
    2.9340    2.0850   -0.7500 O   0  0  0  0  0
    4.8380    0.5760    0.2560 O   0  0  0  0  0
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    0.8330    0.1230    0.7630 N   0  0  0  0  0
    0.3030   -1.0710    0.4330 C   0  0  0  0  0
    1.0040   -2.0630    0.4140 O   0  0  0  0  0
   -1.1360   -1.1730    0.0930 C   0  0  0  0  0
   -1.6730   -2.3410   -0.1240 N   0  0  0  0  0
   -0.9110   -3.5180    0.0740 O   0  0  0  0  0
   -1.6240   -4.7250   -0.2010 C   0  0  0  0  0
   -1.9630    0.0490   -0.0010 C   0  0  0  0  0
   -3.2470    0.0230   -0.4090 C   0  0  0  0  0
   -3.8700    1.6710   -0.3790 S   0  0  0  0  0
   -2.3100    2.2540    0.1930 C   0  0  0  0  0
   -2.0040    3.5760    0.4710 N   0  0  0  0  0
   -1.4930    1.2560    0.3190 N   0  0  0  0  0
    3.0820   -0.3770   -1.2870 O   0  0  0  0  0
    3.0520    2.7860   -0.0940 H   0  0  0  0  0
    5.4660    0.7830   -0.4500 H   0  0  0  0  0
    2.5300   -0.7500    1.6330 H   0  0  0  0  0
    2.3170    0.9850    1.9690 H   0  0  0  0  0
    0.2940    0.9270    0.7040 H   0  0  0  0  0
   -2.4930   -4.7910    0.4540 H   0  0  0  0  0
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   -0.9720   -5.5810   -0.0260 H   0  0  0  0  0
   -3.7990   -0.8570   -0.7040 H   0  0  0  0  0
   -2.6770    4.2650    0.3530 H   0  0  0  0  0
   -1.1170    3.8130    0.7840 H   0  0  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  1 18  2  0  0  0
  2 19  1  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
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  5  6  1  0  0  0
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  6  7  2  0  0  0
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  9 10  1  0  0  0
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 13 27  1  0  0  0
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 15 16  1  0  0  0
 15 17  2  0  0  0
 16 28  1  0  0  0
 16 29  1  0  0  0
M  END
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