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https://github.com/pfloos/quack
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16 lines
430 B
Plaintext
16 lines
430 B
Plaintext
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13
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Phenol; structure form HCP92 revised structure; l
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C 4.555420 5.661760 4.489060
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C 4.584960 2.843420 4.498910
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C 3.378760 3.548270 4.498890
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C 3.359200 4.943960 4.500070
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C 5.758650 4.948670 4.502800
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C 5.789840 3.550210 4.500330
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H 4.622340 1.760920 4.495600
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H 3.631910 7.321310 4.523190
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H 2.474610 2.963630 4.498170
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H 2.384290 5.419790 4.496670
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H 6.695040 5.492670 4.498160
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H 6.727200 3.021210 4.497160
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O 4.537700 7.024010 4.500450
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