File: chi3d_r1_bad.mol

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file content (14 lines) | stat: -rw-r--r-- 560 bytes parent folder | download | duplicates (8) 
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Bond wedging does not match 3D structure
  Marvin  05260815413D          

  5  4  0  0  1  0            999 V2000
    1.5392    0.0007    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0019    0.0013   -0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6206    0.8264   -1.4317 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6635   -1.8109   -0.0004 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4804    0.6428    1.1128 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  6  0  0  0
M  END