File: edta_case.mol

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  Mrv2115 03222214482D

  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 5.3502 -0.633 0 0
M  V30 2 C 3.8093 -0.633 0 0
M  V30 3 O 2.9964 0.6737 0 0 CHG=-1
M  V30 4 C 3.0504 -1.9397 0 0
M  V30 5 Mg -0.0006 0.6737 0 0 CHG=2
M  V30 6 N 1.5248 -1.9397 0 0
M  V30 7 N -1.5252 -1.9397 0 0
M  V30 8 O 1.5248 3.2895 0 0 CHG=-1
M  V30 9 O -1.5252 3.2895 0 0 CHG=-1
M  V30 10 O -2.9964 0.6737 0 0 CHG=-1
M  V30 11 C 4.468 0.7277 0 0
M  V30 12 C 0.7082 -3.2467 0 0
M  V30 13 C -3.05 -1.9397 0 0
M  V30 14 C -4.5213 0.6737 0 0
M  V30 15 C -0.7648 -3.2467 0 0
M  V30 16 C 3.0504 3.2895 0 0
M  V30 17 C -3.05 3.2895 0 0
M  V30 18 C -3.8104 -0.633 0 0
M  V30 19 O 3.844 4.6107 0 0
M  V30 20 O -3.822 4.6223 0 0
M  V30 21 O -5.3502 -0.633 0 0
M  V30 22 Na -0.0006 -4.6223 0 0 CHG=1
M  V30 23 Na 1.875 -4.6667 0 0 CHG=1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 1 2 4
M  V30 4 9 3 5
M  V30 5 1 4 6
M  V30 6 9 6 5
M  V30 7 9 7 5
M  V30 8 9 8 5
M  V30 9 9 9 5
M  V30 10 9 10 5
M  V30 11 1 6 11
M  V30 12 1 6 12
M  V30 13 1 7 13
M  V30 14 1 7 14
M  V30 15 1 7 15
M  V30 16 1 8 16
M  V30 17 1 9 17
M  V30 18 1 10 18
M  V30 19 1 11 16
M  V30 20 1 12 15
M  V30 21 1 13 18
M  V30 22 1 14 17
M  V30 23 2 16 19
M  V30 24 2 17 20
M  V30 25 2 18 21
M  V30 END BOND
M  V30 END CTAB
M  END