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C 8.02755600 57.47223649 55.71857077
C 10.43128746 58.41709948 54.70189819
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C 12.29266756 50.79961402 68.30603558
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C 14.86269490 53.96868451 75.50589160
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C 7.99732038 55.28204407 57.41176526
C 11.26276689 52.03171537 72.83759850
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O 69.30192118 47.53605724 33.60877671
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C 80.73098396 37.29185266 13.75342574
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C 61.99057133 36.40935062 8.08613751
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C 29.58366035 47.05228739 35.40590612
C 31.09733087 46.17167508 33.27429521
C 29.46649734 46.26049220 31.03496991
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C 30.27341034 45.80695796 28.43092750
C 32.97004932 45.92979015 27.77897203
C 34.49316847 48.11809285 28.53486243
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C 16.71084692 41.85743065 28.46116311
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H 25.69649399 47.72691957 30.58143567
H 21.40681600 45.94490796 28.22872682
C 27.86967888 56.18911254 45.71625112
O 27.86023025 58.00513922 43.80762787
K_POINTS (gamma)
1 1 1 0 0 0