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fay1987

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[交流] 拜解错误，2类错误，求详细方法

PLAT080_ALERT_2_A Maximum Shift/Error ............................    7.50

PLAT211_ALERT_2_A ADP of Atom C31    is N.P.D. or (nearly) 2D ...       ?
PLAT241_ALERT_2_A Check High    Ueq as Compared to Neighbors for       C53
PLAT342_ALERT_3_A Low Bond Precision on  C-C Bonds ...............    0.1740 Ang
PLAT366_ALERT_2_A Short? C(sp?)-C(sp?) Bond  C74 - C75 ...    1.10 Ang.
PLAT366_ALERT_2_A Short? C(sp?)-C(sp?) Bond  C31 - C32 ...    1.10 Ang.
PLAT366_ALERT_2_A Short? C(sp?)-C(sp?) Bond  C53 - C54 ...    1.00 Ang.
PLAT366_ALERT_2_A Short? C(sp?)-C(sp?) Bond  C66 - C67 ...    1.10 Ang.
PLAT722_ALERT_1_A Angle Calc    109.00, Rep    113.70 Dev...    4.70 Deg.
            C65  -C64  -H82B 1.555 1.555 1.555    #       134
PLAT722_ALERT_1_A Angle Calc    110.00, Rep    106.90 Dev...    3.10 Deg.
            H82A -C64  -H82B 1.555 1.555 1.555    #       135
PLAT722_ALERT_1_A Angle Calc    108.00, Rep    113.40 Dev...    5.40 Deg.
            C66  -C67  -H84A 1.555 1.555 1.555    #       139
PLAT722_ALERT_1_A Angle Calc    110.00, Rep    103.40 Dev...    6.60 Deg.
            H84A -C67  -H84B 1.555 1.555 1.555    #       141
PLAT722_ALERT_1_A Angle Calc    109.00, Rep    104.70 Dev...    4.30 Deg.
            C66  -C67  -H84C 1.555 1.555 1.555    #       142
PLAT722_ALERT_1_A Angle Calc    108.00, Rep    123.70 Dev...    15.70 Deg.
            H84A -C67  -H84C 1.555 1.555 1.555    #       143
PLAT722_ALERT_1_A Angle Calc    110.00, Rep    100.20 Dev...    9.80 Deg.
            H84B -C67  -H84C 1.555 1.555 1.555    #       144
PLAT723_ALERT_1_A Torsion Calc    -16.00, Rep    -12(18) Dev...    4.00 Sigma
            C37 -C33 -C32 -C31 1.555 1.555 1.555 1.555    189
PLAT723_ALERT_1_A Torsion Calc       6.00, Rep    2(22) Dev...    4.00 Sigma
            C37 -C33 -C34 -C38 1.555 1.555 1.555 1.555    191
PLAT723_ALERT_1_A Torsion Calc    -10.00, Rep    -6(27) Dev...    4.00 Sigma
            C33 -C34 -C38 -C35 1.555 1.555 1.555 1.555    203