084_ALERT_2_A High R2 Value .................................. 0.47
082_ALERT_2_B High R1 Value .................................. 0.16
340_ALERT_3_B Low Bond Precision on C-C Bonds (x 1000) Ang .. 14
416_ALERT_2_B Short Intra D-H..H-D H1 .. H18 .. 1.39 Ang
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