19 lines
1.2 KiB
Plaintext
19 lines
1.2 KiB
Plaintext
16
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Coordinates from ORCA-job orca
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O -2.91052100000000 -0.39830200000000 -0.22266100000000
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C -1.51577600000000 -0.34298900000000 -0.14689800000000
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C -0.73979200000000 -1.46680500000000 0.06432600000000
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C 0.63637200000000 -1.41214400000000 0.13907500000000
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C 1.26581000000000 -0.16924300000000 -0.00507800000000
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C 2.73756900000000 -0.07259000000000 0.06926500000000
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O 3.29590800000000 1.06466800000000 -0.06371600000000
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C 0.52166400000000 0.97475900000000 -0.21734400000000
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C -0.87074700000000 0.87749400000000 -0.28682900000000
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O -1.60530800000000 2.04047400000000 -0.50130000000000
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H -3.49744700000000 0.00831100000000 0.50883800000000
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H -1.24585800000000 -2.43406900000000 0.17553000000000
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H 1.21755400000000 -2.31954300000000 0.30689800000000
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H 3.30230100000000 -0.98089500000000 0.23624500000000
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H 1.03539600000000 1.92321000000000 -0.32534200000000
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H -1.62712600000000 2.70766500000000 0.26899200000000
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