File: test14.xyz

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rdkit 202209.3-1
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file content (24 lines) | stat: -rw-r--r-- 900 bytes parent folder | download | duplicates (15)
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c1ccccc1c1ccccc1
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C     -2.939746    0.051993    0.990055
C     -3.544271    0.084302   -0.268462
C     -2.756332    0.083491   -1.421506
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C     -0.740404    0.017611   -0.056082
C      0.740404   -0.017610    0.056082
C      1.401879    0.738234    1.042873
C      2.795936    0.703504    1.145795
C      3.544271   -0.084304    0.268462
C      2.900143   -0.838990   -0.714344
C      1.506414   -0.807409   -0.822584
H     -1.099616   -0.022773    2.084185
H     -3.551568    0.048816    1.882925
H     -4.623225    0.109968   -0.350188
H     -3.225925    0.112392   -2.396289
H     -0.771007    0.067269   -2.225876
H      0.843299    1.369316    1.722592
H      3.296544    1.290936    1.904656
H      4.623224   -0.109970    0.350190
H      3.480949   -1.452145   -1.391291
H      1.027324   -1.413810   -1.580902