DR1168
  -OEChem-05042003373D

 20 20  0     0  0  0  0  0  0999 V2000
    1.5244   -0.6432    0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8863    0.3196   -0.0009 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9355   -1.6591    0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5258    1.1551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414   -0.3960   -0.0001 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.9713    0.1294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0726   -0.6547   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3430   -0.9912    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4320    0.1416    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7377    1.4623    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5830    0.2086    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1520    1.5149    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8571   -0.5293   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3225   -0.0582   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0518    2.2974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7738    2.3991    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8316   -1.6350   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9552   -1.6628   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3165   -0.7059    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1520   -1.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2  5  1  0  0  0  0
  3  5  2  0  0  0  0
  4 14  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  7 18  1  0  0  0  0
  8 14  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
M  CHG  2   2  -1   5   1
M  END

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