BA5S8J
  -OEChem-04022101343D

 20 20  0     0  0  0  0  0  0999 V2000
    2.5023   -0.1544    0.0712 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.2558    0.8786    0.0750 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4520   -0.8285   -1.3982 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7826    0.8306   -0.0261 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5434   -1.1129    1.2257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1116   -0.5717   -0.0443 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0578    0.5236    0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7504   -0.2042   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0465    1.5076    0.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4154   -0.8242    0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3927    1.1437    0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7616   -1.1881   -0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7738    2.5590    0.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3171   -1.6233   -0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1538    1.9198    0.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0281   -2.2417   -0.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8288    0.1413   -0.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3717   -1.5488   -0.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0861   -1.5454   -1.6132 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6821    0.4481    0.0563 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  1  0  0  0  0
  1  5  2  0  0  0  0
  2  7  1  0  0  0  0
  3 19  1  0  0  0  0
  4 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
M  END

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