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@ -21,7 +21,7 @@ O2 1.164428 0.97121
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O 0.513919 0.41604
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O 0.513919 0.41604
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avtz
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O2 1.166676
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O2 1.166676 0.88440
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O 0.516070 0.37689
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O 0.516070 0.37689
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avqz
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