BE52XA
  -OEChem-04012112323D

 21 22  0     0  0  0  0  0  0999 V2000
   -2.9905   -0.1512    0.0098 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4351   -0.6819    0.0068 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8482   -1.5266   -0.1672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2026    0.6482   -1.1826 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2892    0.3793    1.3271 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9191    1.9237    0.0022 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0194   -0.3050    0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7915    0.8587    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3450    0.0992    0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3742    1.4748    0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6736   -1.5530    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1908    0.8367   -0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0728   -1.5903   -0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8176   -0.4126   -0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1946    2.8961    0.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1874    2.1867    0.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1057   -2.4790    0.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7716    1.7530   -0.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5828   -2.5500   -0.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9034   -0.4650   -0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8273   -1.4132   -0.1894 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  2  9  1  0  0  0  0
  3 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 10  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
M  END

$$$$