File: github1262_1.mol

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file content (29 lines) | stat: -rw-r--r-- 1,075 bytes parent folder | download | duplicates (5)
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benzene
     RDKit          3D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2930    0.5342    0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1839    1.3868   -0.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1091    0.8526   -0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2930   -0.5342   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1839   -1.3868    0.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1091   -0.8526    0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2934    0.9475    0.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3262    2.4598   -0.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9672    1.5122   -0.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2934   -0.9475   -0.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3262   -2.4598    0.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9672   -1.5122    0.0258 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