File: testRXNChirality2.sdf

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file content (16 lines) | stat: -rw-r--r-- 611 bytes parent folder | download | duplicates (8)
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  Mrv0541 12291411382D          

  6  5  0  0  1  0            999 V2000
   -2.8875    0.7145    0.0000 Br  0  0  0  0  0  0  0  0  0  6  0  0
   -2.0625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  5  0  0
   -1.6500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  4  0  0
   -2.0625   -0.7145    0.0000 C   0  0  1  0  0  0  0  0  0  1  0  0
   -1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  3  0  0
   -2.8875   -0.7145    0.0000 F   0  0  0  0  0  0  0  0  0  2  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  1  0  0  0
M  END