File: bromomethane.mol

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rdkit 202503.6-4
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file content (14 lines) | stat: -rw-r--r-- 474 bytes parent folder | download | duplicates (2)
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     RDKit          3D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -0.1838   -0.0007    0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7506    0.0063   -0.0407 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5410   -0.5342   -0.8778 H   0  0  0  0  0  1  0  0  0  0  0  0
   -0.5263    1.0351   -0.0037 H   0  0  0  0  0  1  0  0  0  0  0  0
   -0.4993   -0.5066    0.9179 H   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  1  3  1  0
  1  4  1  0
  1  5  1  0
M  END