23 lines
1.5 KiB
Plaintext
23 lines
1.5 KiB
Plaintext
20
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Coordinates from ORCA-job orca E -311.402120669106
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C -2.28598030638624 0.35376277073444 -0.19547111102471
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C -1.68845048265794 -1.02604048009522 -0.28633098430254
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C -0.16587484273846 -0.99441923667445 -0.47829544128350
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C 0.49429567937552 0.02582852501480 0.45838710509113
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C 2.00128398739193 0.02755767733058 0.44489821486597
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C 2.80627569772874 -0.71484397484227 -0.33532312888364
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C -0.05051540855294 1.44380552502512 0.16560285677869
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C -1.54633246278563 1.46547081489540 -0.00824397995845
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H -3.38189983443359 0.44179966925299 -0.29097103711778
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H -1.94888346835488 -1.60162245032632 0.63333124262371
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H 0.26185288642795 -2.00452856770949 -0.31135521446565
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H 0.06929504743837 -0.71964663800588 -1.53039852178512
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H 0.17747688841028 -0.22221372159027 1.50065423741162
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H 2.46628432601303 0.74171978582436 1.15091380841146
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H 2.41318033523079 -1.44154682121838 -1.06390574461916
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H 3.90164890752051 -0.62357636042225 -0.27112649954247
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H 0.24635113429197 2.13938122600203 0.98159655792743
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H 0.44222944708103 1.84766480957558 -0.75039398814225
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H -2.04441809634297 2.44972308435692 0.02319792327275
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