File: benzene.mol

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rdkit 202503.6-4
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file content (29 lines) | stat: -rw-r--r-- 1,068 bytes parent folder | download | duplicates (4)
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     RDKit          3D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2367   -0.6442   -0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1757    0.7492   -0.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0609    1.3935   -0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2366    0.6442    0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1757   -0.7492    0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0609   -1.3935    0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2001   -1.1461   -0.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    1.3330   -0.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1084    2.4791   -0.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2001    1.1461    0.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0917   -1.3330    0.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1084   -2.4791    0.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  1  7  1  0
  2  8  1  0
  3  9  1  0
  4 10  1  0
  5 11  1  0
  6 12  1  0
M  END