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Alert level A
PLAT223_ALERT_4_A Large Solvent/Anion H Ueq(max)/Ueq(min) ... 5.33 Ratio
PLAT731_ALERT_1_A Bond Calc 0.8(2), Rep 0.851(11) ...... 9.90 su-Ra
O8 -H8C 1.555 1.555
PLAT732_ALERT_1_A Angle Calc 117(19), Rep 117(2) ...... 9.50 su-Ra
H8D -O8 -H8C 1.555 1.555 1.555
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