File: acetate.xyz

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rdkit 202503.1-5
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file content (9 lines) | stat: -rw-r--r-- 235 bytes parent folder | download | duplicates (3)
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charge=-1=
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C 	-3.24898 	0.98400 		-0.22830
H 	-5.04167 	1.74384 		0.67862
H 	-5.01710 	-0.02205 	0.56344
H 	-5.21076 	0.96874 		-0.91208
O 	-2.65909 	2.05702 		-0.34025
O 	-2.63413 		-0.18702 	-0.48679