49 lines
2.0 KiB
Plaintext
49 lines
2.0 KiB
Plaintext
6
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Coordinates from ORCA-job orca E -78.412010829727
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C 0.662086 -0.047244 -0.014495
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C -0.667632 0.037700 0.014720
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H 1.207765 -0.974386 -0.017417
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H 1.231467 0.878155 -0.036778
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H -1.177933 1.003796 0.016446
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H -1.255753 -0.898022 0.037525
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Coordinates from ORCA-job orca E -78.413223200530
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C 0.665639 -0.040083 -0.014641
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C -0.673464 0.032503 0.014894
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H 1.219432 -0.990828 -0.017517
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H 1.255722 0.892108 -0.037468
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H -1.196393 1.000848 0.016895
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H -1.270935 -0.894549 0.037838
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Coordinates from ORCA-job orca E -78.413463012868
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C 0.668072 -0.033194 -0.014759
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C -0.673392 0.028357 0.014930
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H 1.219193 -0.990196 -0.017520
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H 1.271070 0.892752 -0.037824
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H -1.204853 0.994028 0.017157
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H -1.280089 -0.891747 0.038017
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Coordinates from ORCA-job orca E -78.413552648987
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C 0.669527 -0.026851 -0.014855
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C -0.671248 0.025123 0.014913
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H 1.215702 -0.986421 -0.017480
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H 1.282741 0.890508 -0.038065
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H -1.210590 0.986986 0.017358
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H -1.286133 -0.889346 0.038130
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Coordinates from ORCA-job orca E -78.413558914494
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C 0.669563 -0.025862 -0.014868
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C -0.670180 0.024969 0.014891
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H 1.214011 -0.985017 -0.017456
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H 1.284243 0.889307 -0.038087
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H -1.211488 0.985553 0.017393
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H -1.286149 -0.888952 0.038126
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Coordinates from ORCA-job orca E -78.413559582731
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C 0.669546 -0.025845 -0.014868
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C -0.669828 0.025287 0.014881
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H 1.213458 -0.984808 -0.017445
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H 1.284394 0.888921 -0.038086
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H -1.211962 0.985303 0.017406
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H -1.285608 -0.888858 0.038113
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