File: phosphonate.mol

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file content (21 lines) | stat: -rw-r--r-- 749 bytes parent folder | download | duplicates (4) 
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     RDKit          3D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -0.9071    0.0653    0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9339   -0.0672   -0.0750 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.1001   -1.2018   -1.0783 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3539   -0.3874    1.3543 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3214    1.3176   -0.5790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1576    0.8611    0.7789 H   0  0  0  0  0  1  0  0  0  0  0  0
   -1.3335    0.2968   -0.9066 H   0  0  0  0  0  1  0  0  0  0  0  0
   -1.3110   -0.8844    0.4329 H   0  0  0  0  0  1  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  2  5  1  0
  1  6  1  0
  1  7  1  0
  1  8  1  0
M  CHG  2   4  -1   5  -1
M  END