B6T4WX
  -OEChem-04022102193D

 21 21  0     0  0  0  0  0  0999 V2000
    1.1100    1.0864    0.5857 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4178    0.4470    1.8587 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    2.5346    0.4663 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1798   -1.3874   -1.4774 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2344   -1.5011    0.5280 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0325    0.3535   -0.6427 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9133   -2.1301    0.7176 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5243   -0.9429   -0.5321 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.5086    0.6252    0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0616   -0.5613    0.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2486    1.4432   -0.7326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3545   -0.9299    0.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5417    1.0747   -1.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0945   -0.1118   -0.6227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4948   -1.2078    1.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8356    2.3680   -1.1254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1173    1.7108   -1.7704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1028   -0.3882   -0.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3450    0.8911   -1.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8511   -2.3970    0.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3780   -2.7233    1.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  4  8  1  0  0  0  0
  5  8  2  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  7 12  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
M  CHG  2   4  -1   8   1
M  END

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