File: Sgroup_MUL_ParentInMiddle.sdf

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file content (44 lines) | stat: -rw-r--r-- 1,855 bytes parent folder | download | duplicates (4)
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  MJ221900                      

 18 16  0  0  0  0  0  0  0  0999 V2000
   -1.1535    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1535    3.7580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4390    1.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6424    3.0781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6695    3.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6695    2.8459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4390    2.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1535    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1535    3.7580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4390    2.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6424    3.0781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4390    1.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1535    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1535    3.7580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4390    2.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6424    3.0781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4390    1.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4390    1.6955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  5 11  1  0  0  0  0
  6 13  1  0  0  0  0
  1  7  1  0  0  0  0
  7  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  2  0  0  0  0
 10 12  1  0  0  0  0
 10 11  1  0  0  0  0
 13 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16  1  1  0  0  0  0
  4  8  1  0  0  0  0
M  STY  1   1 MUL
M  SAL   1 15   1   2   3   4   7   8   9  10  11  12  13  14  15  16  17
M  SPA   1  5   1   2   3   4   7
M  SMT   1 3
M  SBL   1  2  15  14
M  END