99 lines
4.2 KiB
Plaintext
99 lines
4.2 KiB
Plaintext
12
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Coordinates from ORCA-job orca E -231.778552888275
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12
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Coordinates from ORCA-job orca E -231.784259065960
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C 1.026391 -0.950353 0.040153
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Coordinates from ORCA-job orca E -231.784773510080
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Coordinates from ORCA-job orca E -231.784883115482
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C -1.037970 0.948337 -0.040426
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C 0.302430 1.370967 -0.012470
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C 1.338585 0.422842 0.027946
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Coordinates from ORCA-job orca E -231.784908374285
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C -1.035796 0.948180 -0.040369
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Coordinates from ORCA-job orca E -231.784912563236
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C -1.035077 0.948208 -0.040351
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C 0.303803 1.371641 -0.012444
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C 1.338130 0.422572 0.027940
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H -2.388253 -0.754700 -0.049818
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Coordinates from ORCA-job orca E -231.784913297149
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C -1.035002 0.948265 -0.040349
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C 0.303733 1.371281 -0.012440
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C 1.338483 0.422672 0.027947
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C 1.035210 -0.948418 0.040357
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