File: Sgroups_Data_01.mol

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file content (42 lines) | stat: -rw-r--r-- 1,702 bytes parent folder | download | duplicates (4)
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  ACCLDraw04231812452D

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    6.2510   -2.3329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5505   -7.6624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7052   -5.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4016   -5.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9416   -2.3329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  1  3  1  0  0  0  0
  5  8  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
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  9 10  1  0  0  0  0
  4 12  1  0  0  0  0
  2 12  2  0  0  0  0
  7 13  1  0  0  0  0
M  STY  2   1 DAT   2 DAT
M  SLB  2   1   1   2   2
M  SAL   1  1  10
M  SDT   1 pH                                                    
M  SDD   1     0.0000    0.0000    DR    ALL  1       6
M  SED   1 4.6
M  SAL   2  2   5   7
M  SBL   2  1   4
M  SDT   2 Stereo                                                
M  SDD   2     0.0000    0.0000    DR    ALL  1       6
M  SED   2 E/Z unknown
M  END