B57GHE
  -OEChem-04042104353D

 21 22  0     0  0  0  0  0  0999 V2000
    3.1659    0.7760    1.4728 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3786    1.5842   -0.3980 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6289   -0.0669   -0.3101 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8893    0.2714    0.1937 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3681   -2.1278   -0.0696 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9098   -0.6856   -0.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5556   -0.8507    0.9516 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    0.1417   -1.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4237   -0.9097   -0.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6927   -0.1456   -0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8893    1.2546   -0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9395   -0.6989    0.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2422    1.4572    0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7981   -1.6723   -0.8895 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8490   -1.2224    1.6991 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4072   -1.5366    0.9004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -0.4340   -1.6508 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2711    0.4845   -2.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1452    2.0272   -0.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3036   -1.7110    0.2457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8685    2.3371    0.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END

$$$$