21 lines
1.4 KiB
Plaintext
21 lines
1.4 KiB
Plaintext
18
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Coordinates from ORCA-job orca E -600.687708876611
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N 1.49214409536755 0.63396480156091 -0.17240186883220
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C 1.69439909284534 -0.74993808953442 -0.32585087099616
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N 0.51969119520433 -1.50198853540838 -0.26002323564419
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C 0.29983371588359 1.37253156360864 0.02933411591962
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C -0.82653222428565 0.46954882504634 0.09055947431358
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C -0.70869656766770 -0.91479985736863 -0.05840967711265
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N -2.18326088171867 0.69560799804924 0.26167792671021
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C -2.77585063603268 -0.53474525420084 0.20972000910065
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N -1.91377380656301 -1.53682841571507 0.01478793950333
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H 2.35025426760290 1.18962890709513 -0.23090579660185
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O 2.79785167640593 -1.24279747744679 -0.50143359613152
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O 0.29950648224386 2.59819221042478 0.12371863062391
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C -2.81024284400772 1.98465445361992 0.50248184488274
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H -3.90031721611190 1.89144274199166 0.34263466734510
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H -3.86241134812596 -0.65160093894924 0.31970287362027
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H -2.38856730195329 2.73844952034899 -0.18743662298539
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H -2.61838764200529 2.32756511693905 1.53909649816365
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H 0.60834004131837 -2.51363649056128 -0.36826462487909
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