File: test32.xyz

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rdkit 202503.1-5
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file content (27 lines) | stat: -rw-r--r-- 1,029 bytes parent folder | download | duplicates (10)
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C1(CC2=CC=CC=C2)=CC=CC=C1
C      1.154089   -0.719548   -0.412775
C     -0.037515   -0.834441   -1.324044
C     -1.187880   -0.031996   -0.779733
C     -2.095706   -0.614752    0.120643
C     -3.143780    0.142603    0.652973
C     -3.287677    1.486668    0.297905
C     -2.381576    2.076757   -0.587569
C     -1.332039    1.323110   -1.122275
C      2.082483    0.320676   -0.587267
C      3.170281    0.446845    0.282329
C      3.333957   -0.457310    1.335421
C      2.408076   -1.487308    1.522874
C      1.318817   -1.617184    0.655655
H      0.226484   -0.479976   -2.344774
H     -0.333530   -1.901057   -1.433313
H     -1.990490   -1.652841    0.410690
H     -3.842554   -0.311702    1.343468
H     -4.098673    2.071780    0.711879
H     -2.490471    3.119318   -0.857145
H     -0.631856    1.794793   -1.800570
H      1.962624    1.033106   -1.394053
H      3.884637    1.247716    0.141745
H      4.175753   -0.357426    2.008361
H      2.532553   -2.183304    2.342359
H      0.603994   -2.414525    0.817216