2019-10-20 08:18:58 +02:00
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# nAt nEla nElb nCore nRyd
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2020-04-22 00:39:52 +02:00
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3 8 8 0 0
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2019-02-07 22:49:12 +01:00
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# Znuc x y z
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2020-04-22 00:39:52 +02:00
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H 1.18163475 0.00000000 -1.17386890
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N -0.44776863 0.00000000 -0.03589263
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O 0.21099695 0.00000000 2.15462460
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