File: test24.xyz

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rdkit 202209.3-1
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file content (21 lines) | stat: -rw-r--r-- 790 bytes parent folder | download | duplicates (10)
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O=C(C=C1)C=CC1=CCC([O-])=O
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C     -2.974944    0.133030    0.518971
C     -2.210966   -1.074673    0.163289
C     -0.891411   -1.004786   -0.038961
C     -2.277689    1.423156    0.651642
C     -0.958643    1.500608    0.450917
C     -0.172411    0.293200    0.091660
C      1.153486    0.406229   -0.103400
C      2.038747   -0.754898   -0.469788
C      3.459220   -0.312068   -0.623663
O      3.914341    0.149766   -1.852199
O      4.234401   -0.313086    0.368646
H     -2.721383   -2.024831    0.065073
H     -0.362610   -1.912469   -0.298863
H     -2.836197    2.313424    0.913064
H     -0.467735    2.461282    0.554326
H      1.613764    1.383115    0.008317
H      1.982185   -1.533007    0.322130
H      1.695427   -1.196812   -1.429757