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LCPQ
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quack
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quack
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mol
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ch.xyz
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xyz files
2020-10-12 14:30:00 +02:00
2
working on qsUGW
2020-10-21 12:09:18 +02:00
xyz files
2020-10-12 14:30:00 +02:00
C 0.00000000 0.00000000 -0.08596945
working on qsUGW
2020-10-21 12:09:18 +02:00
H 0.00000000 0.00000000 1.02362355
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