221 lines
9.7 KiB
Plaintext
221 lines
9.7 KiB
Plaintext
20
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Coordinates from ORCA-job orca E -572.348277916867
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O 4.657393 0.325536 -0.194553
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C 3.494819 -0.425194 -0.085583
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C 2.158120 0.177736 -0.112287
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H 5.479513 0.087037 0.377180
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Coordinates from ORCA-job orca E -572.375750646498
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O 4.638776 0.333629 -0.181186
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C 3.542593 -0.471498 -0.066633
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C 2.221800 0.169583 -0.106601
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Coordinates from ORCA-job orca E -572.384473163320
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O 4.595800 0.361397 -0.156325
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C 3.558051 -0.501997 -0.046064
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C 2.246964 0.167969 -0.098734
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O 3.710901 -1.708705 0.078247
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H 5.386885 -0.011968 0.263661
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Coordinates from ORCA-job orca E -572.389379175025
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O 4.573675 0.385496 -0.101423
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C 3.558840 -0.510563 -0.002695
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C 2.251000 0.177596 -0.071969
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C 1.095116 -0.542714 0.002816
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C -0.597224 1.346176 -0.144115
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Coordinates from ORCA-job orca E -572.390934451415
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O 4.572557 0.390237 -0.048481
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C 3.551676 -0.508453 0.011545
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C 2.244784 0.186316 -0.054043
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C 1.090445 -0.530774 0.006905
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C -0.281508 -0.026778 -0.029877
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O 3.726791 -1.709395 0.134492
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Coordinates from ORCA-job orca E -572.391011857368
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O 4.576940 0.385990 -0.058832
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C 3.545519 -0.499451 0.051353
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C 2.239229 0.193713 -0.017075
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C 1.089091 -0.524527 0.028751
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C -0.282630 -0.024468 -0.021481
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C -0.601593 1.350460 -0.127305
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C -1.939554 1.756646 -0.169845
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C -2.981719 0.820572 -0.111919
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C -2.681702 -0.551275 -0.002198
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O -3.722376 -1.426638 0.066101
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C -1.337798 -0.963232 0.043651
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H 5.387268 -0.169047 -0.086908
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Coordinates from ORCA-job orca E -572.391388283523
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O 4.580990 0.385437 -0.044353
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C 3.543194 -0.497946 0.016523
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C 2.237333 0.193968 -0.036299
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C 1.089245 -0.525128 0.014248
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C -0.601503 1.348808 -0.131424
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Coordinates from ORCA-job orca E -572.391414239215
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O 4.579069 0.385860 -0.048747
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C 3.544334 -0.498859 0.015566
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Coordinates from ORCA-job orca E -572.391417473565
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O 4.579199 0.385759 -0.048967
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C 3.544621 -0.498563 0.016234
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Coordinates from ORCA-job orca E -572.391417709607
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O 4.579374 0.385663 -0.048745
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