Dateien nach "Vanilla/m-Coumaricacid" hochladen
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Vanilla/m-Coumaricacid/orca.xyz
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Vanilla/m-Coumaricacid/orca.xyz
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O 4.657393 0.325536 -0.194553
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C 3.494819 -0.425194 -0.085583
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C 2.158120 0.177736 -0.112287
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C 1.085688 -0.573518 -0.005647
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C -0.259378 -0.071939 -0.021609
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C -0.550790 1.267451 -0.152769
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C -1.863102 1.700671 -0.162478
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C -2.936865 0.844283 -0.044770
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C -2.646255 -0.506397 0.087585
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O -3.692525 -1.427646 0.211293
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C -1.332802 -0.932661 0.096541
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O 3.625605 -1.674165 0.040400
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H 5.479513 0.087037 0.377180
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H 2.080776 1.227281 -0.219057
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H 1.260746 -1.647742 0.101044
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H 0.208384 2.009191 -0.250142
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H -2.083117 2.763627 -0.266885
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H -3.963814 1.177842 -0.051802
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H -3.593853 -2.336711 -0.197593
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H -1.128544 -1.984681 0.200226
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