BRE52L
  -OEChem-04022106553D

 18 19  0     0  0  0  0  0  0999 V2000
   -2.0809    1.5907    0.0005 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8799   -0.6048    0.0002 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3359    1.5220   -0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4426   -0.9629   -0.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0196    0.3081    0.0001 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.4181    0.3312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6768    0.5900   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0715   -0.7513   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6765    0.9648   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6431   -0.0441    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0743   -1.7510    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2749   -1.3849    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0657    0.1923    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9377    2.0192    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3514   -2.8014    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0121   -2.1844    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8618    1.2437    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0377   -0.4723   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2  5  1  0  0  0  0
  3  5  2  0  0  0  0
  4  8  1  0  0  0  0
  4 13  2  0  0  0  0
  5 10  1  0  0  0  0
  6 13  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
M  CHG  2   2  -1   5   1
M  END

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