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53 lines
1.2 KiB
Plaintext
53 lines
1.2 KiB
Plaintext
benzene
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OpenBabel01141419433D
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0 0 0 0 0 999 V3000
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M V30 BEGIN CTAB
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M V30 COUNTS 12 12 0 0 0
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M V30 BEGIN ATOM
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M V30 1 C-
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M V30 -0.760008 1.16-
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M V30 914 -0.00-
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M V30 0514248 0 -
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M V30 CHG=-1
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M V30 2 C 0.632859 1.24469 -0.0-
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M V30 011798 0
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M V30 3 C 1.39473 0.0765338 0.000407365 0
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M V30 4 C 0.764058 -1.16766 0.0-
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M V30 0272882 0
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M V30 5 C -0.628806 -1.24322 0.0-
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M V30 00135461 0
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M V30 6 C -1.39068 -0.0750614 -0.0-
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M V30 0151923 0 FOO=ABC BAR= BAZ=(1 2 3) X=() CHG=1 Y=Z
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M V30 7 H -1.35358 2.07925 0.0-
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M V30 00532626 0
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M V30 8 H 1.1243 2.21404 -0.00280709 0
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M V30 9 H 2.47994 0.135472 -
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M V30 -2.80823e-05 0
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M V30 10 H 1.35763 -2.07777 0.00630253 0
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M V30 11 H -1.12024 -2.21257 -0.0-
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M V30 004684 0
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M V30 12 H -2.47589 -0.134002 -0.0-
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M V30 0345641 0 FOOBAR=(asdf asdf asdf asdf asdf xxxxxxxxxxxx yyyyyyyy z 1 2 3-
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M V30 sdg erthsrt ag asv hrth sasaddfg aergedfg -
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M V30 x y z) CRAZY=YES!
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M V30 END ATOM
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M V30 BEGIN BOND
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M V30 1 2 1 2
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M V30 2 1 1 6
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M V30 3 1 1 7
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M V30 4 1 2 3
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M V30 5 -
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M V30 1 2 8
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M V30 6 2 3 4
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M V30 7 1 3 9
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M V30 8 1 4 5
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M V30 9 1 4 10
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M V30 10 2 5 6
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M V30 11 1 5 11
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M V30 12 1 6 12
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M V30 END BOND
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M V30 END CTAB
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M END
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$$$$
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