24 lines
1.6 KiB
Plaintext
24 lines
1.6 KiB
Plaintext
21
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Coordinates from ORCA-job orca E -639.916149643644
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N 1.48728339939779 0.62326497901565 -0.14006879395670
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C 1.69436248673428 -0.76485699370387 -0.21800735367118
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N 0.53154894826380 -1.54318849496937 -0.12746124001368
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C 0.29640231088104 1.36824479185925 0.02336910900324
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C -0.82084932436312 0.46136822576679 0.12578152678976
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C -0.69240639596356 -0.92887699204469 0.04546585856007
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N -2.17979287490421 0.69013710102263 0.27439475377772
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C -2.76761278809620 -0.54283273080994 0.27912415242120
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N -1.90010127179338 -1.54817173588909 0.14059782832102
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C 0.65160564499585 -2.99346028480518 -0.18819235724515
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O 2.80766231958614 -1.25243293850633 -0.35973065430501
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O 0.29080480933986 2.59788874113368 0.05842846704239
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C -2.81238524407629 1.98692650905597 0.44829403362542
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H -3.90032643665364 1.88370500352996 0.28011824640808
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H -3.85452680099801 -0.65901098420138 0.38640244822187
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H 1.41443439765365 -3.26203154384451 -0.94147000711206
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H -0.33597611487017 -3.41015448776193 -0.45435783642291
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H 0.96945285796161 -3.40928921792298 0.79061621993522
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H -2.38362281092540 2.70940470850890 -0.27010014719775
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H -2.63367987699943 2.37803405086455 1.47016588142699
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H 2.34668076182940 1.17421815200189 -0.22016928350852
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