BUH76G
  -OEChem-04022106553D

 31 32  0     0  0  0  0  0  0999 V2000
    0.4110   -1.2599    0.3206 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3359   -0.9983   -0.4455 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5472   -1.9041    1.6209 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7365   -2.0069   -0.8882 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6541    0.8885   -1.3786 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.8417    0.9665    0.8072 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2878    0.2187    0.3423 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6902   -0.7447   -0.6261 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1770    0.7248   -0.2295 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.2275   -0.6782    0.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7302    0.1196    0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6550    1.1201    0.1724 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8569    0.5266   -0.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7789   -0.4891   -1.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9848   -0.4024    1.2979 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4431    2.4954    0.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0876   -0.0244   -1.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2936    0.0624    1.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8452    0.2514   -0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1966    1.1341   -0.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0298    0.9519    1.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2048   -0.6905   -2.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5728   -0.5362    2.2941 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2962    3.1423    0.4282 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5595    2.9419    0.1870 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2951    2.5004    1.7397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4837    0.1127   -2.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8535    0.2684    2.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4812    1.5438    0.6607 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9618    0.4061   -0.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2143    1.9476   -1.0465 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
  7 11  1  0  0  0  0
  7 21  1  0  0  0  0
  8 13  2  0  0  0  0
  9 19  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 20  1  0  0  0  0
 14 17  1  0  0  0  0
 14 22  1  0  0  0  0
 15 18  2  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 19  2  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 20 29  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  0  0  0  0
M  CHG  2   5  -1   9   1
M  END

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