File: weirdzinc_2.mol

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file content (98 lines) | stat: -rw-r--r-- 2,750 bytes parent folder | download | duplicates (4)
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weirdzinc_2
  ChemDraw01212310462D

  0  0  0     0  0              0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 40 46 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.834264 4.002780 0.000000 0
M  V30 2 C -2.834264 3.177780 0.000000 0
M  V30 3 C -2.119793 2.765280 0.000000 0 CHG=-1
M  V30 4 C -1.405321 3.177780 0.000000 0
M  V30 5 C -1.405321 4.002780 0.000000 0
M  V30 6 C -2.119793 4.415280 0.000000 0
M  V30 7 C 1.596293 3.888196 0.000000 0
M  V30 8 C 1.596293 3.063196 0.000000 0
M  V30 9 C 2.310765 2.650696 0.000000 0 CHG=-1
M  V30 10 C 3.025236 3.063196 0.000000 0
M  V30 11 C 3.025236 3.888196 0.000000 0
M  V30 12 C 2.310765 4.300696 0.000000 0
M  V30 13 C -5.431487 0.336111 0.000000 0
M  V30 14 C -5.431487 -0.488889 0.000000 0
M  V30 15 C -4.717016 -0.901389 0.000000 0
M  V30 16 C -4.002545 -0.488889 0.000000 0
M  V30 17 C -4.002545 0.336111 0.000000 0 CHG=-1
M  V30 18 C -4.717016 0.748611 0.000000 0
M  V30 19 C 4.002544 0.450695 0.000000 0
M  V30 20 C 4.002544 -0.374305 0.000000 0 CHG=-1
M  V30 21 C 4.717016 -0.786805 0.000000 0
M  V30 22 C 5.431487 -0.374305 0.000000 0
M  V30 23 C 5.431487 0.450695 0.000000 0
M  V30 24 C 4.717016 0.863195 0.000000 0
M  V30 25 C -2.643292 -3.177780 0.000000 0
M  V30 26 C -2.643292 -4.002780 0.000000 0
M  V30 27 C -1.928821 -4.415280 0.000000 0
M  V30 28 C -1.214349 -4.002780 0.000000 0
M  V30 29 C -1.214349 -3.177780 0.000000 0
M  V30 30 C -1.928821 -2.765280 0.000000 0 CHG=-1
M  V30 31 C 1.519905 -2.910418 0.000000 0
M  V30 32 C 1.519905 -3.735418 0.000000 0
M  V30 33 C 2.234376 -4.147918 0.000000 0
M  V30 34 C 2.948847 -3.735418 0.000000 0
M  V30 35 C 2.948847 -2.910418 0.000000 0
M  V30 36 C 2.234376 -2.497918 0.000000 0 CHG=-1
M  V30 37 Cu 0.264163 1.925638 0.000000 0 CHG=1
M  V30 38 Cu -0.079587 -1.435475 0.000000 0 CHG=1
M  V30 39 Zn -1.906618 0.321470 0.000000 0 CHG=2
M  V30 40 Zn 2.103800 0.359665 0.000000 0 CHG=2
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 2 3
M  V30 3 2 3 4
M  V30 4 1 4 5
M  V30 5 2 5 6
M  V30 6 1 6 1
M  V30 7 2 7 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 10 11
M  V30 11 2 11 12
M  V30 12 1 12 7
M  V30 13 2 13 14
M  V30 14 1 14 15
M  V30 15 2 15 16
M  V30 16 1 16 17
M  V30 17 2 17 18
M  V30 18 1 18 13
M  V30 19 2 19 20
M  V30 20 1 20 21
M  V30 21 2 21 22
M  V30 22 1 22 23
M  V30 23 2 23 24
M  V30 24 1 24 19
M  V30 25 2 25 26
M  V30 26 1 26 27
M  V30 27 2 27 28
M  V30 28 1 28 29
M  V30 29 2 29 30
M  V30 30 1 30 25
M  V30 31 2 31 32
M  V30 32 1 32 33
M  V30 33 2 33 34
M  V30 34 1 34 35
M  V30 35 2 35 36
M  V30 36 1 36 31
M  V30 37 9 3 37
M  V30 38 9 3 39 
M  V30 39 9 17 39
M  V30 40 9 30 38
M  V30 41 9 30 39
M  V30 42 9 9 40
M  V30 43 9 20 40 
M  V30 44 9 36 40
M  V30 45 9 36 38
M  V30 46 9 9 37
M  V30 END BOND
M  V30 END CTAB
M  END