File: test30.xyz

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rdkit 202503.1-4
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file content (31 lines) | stat: -rw-r--r-- 1,189 bytes parent folder | download | duplicates (8)
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CC1C=CC2C(C=CC2(C)C)=CC=1
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C     -1.361818   -0.951618    1.794667
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C     -1.934556    0.073101   -0.248183
C     -2.416097   -0.748327   -1.461757
C     -2.589383    1.466354   -0.285360
C      1.058997   -0.555591    1.847461
C      2.308319    0.026276    1.317909
H      4.300388    1.489905    0.346855
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H     -2.320831    2.052033    0.620877
H      1.093211   -0.977187    2.844897
H      3.036627    0.320247    2.065025