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[交流] 关于topos的结果的分析

各位虫友们好，我想分析我的晶体的拓扑结构，请问最后得到的以下数据怎么分析啊，我想得到的格式如图
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1:C12 H16 Mn N O9
#################

Structure consists of molecules (ZD1). The composition of molecule is C24H16N2O8
Structure consists of molecules (ZE1). The composition of molecule is H2O
Structure consists of molecules (ZE2). The composition of molecule is H2O
Structure consists of molecules (ZE3). The composition of molecule is H2O
Structure consists of molecules (ZE4). The composition of molecule is H2O
Structure consists of molecules (ZF1). The composition of molecule is O
Structure consists of molecules (ZF2). The composition of molecule is O
Structure consists of molecules (ZG1). The composition of molecule is Mn
Topology for ZD1
--------------------
Atom ZD1 links by bridge ligands and has
Common edge with                               R(A-A)       f Total SA
ZG 1 0.2005 0.0438 -0.4179 ( 0 0-1)    7.329A       2  24.73
ZG 1 0.7995 -0.0438 0.4179 ( 1 0 1)    7.329A       2  24.73
ZG 1 0.2995 0.5438 -0.0821 ( 0 0 0) 10.351A       2  25.27
ZG 1 0.7005 -0.5438 0.0821 ( 0-1-1) 10.351A       2  25.27
Topology for ZE1
--------------------
Atom ZE1 links by bridge ligands and has
Common vertex with                               R(A-A)       f Total SA
ZG 1 0.2005 0.0438 0.5821 ( 0 0 0)    2.252A       1 100.00
Topology for ZE2
--------------------
Atom ZE2 links by bridge ligands and has
Common vertex with                               R(A-A)       f Total SA
ZG 1 0.2005 0.0438 0.5821 ( 0 0 0)    2.221A       1 100.00
Topology for ZE3
--------------------
Atom ZE3 links by bridge ligands and has
Common vertex with                               R(A-A)       f Total SA
ZG 1 0.2005 0.0438 0.5821 ( 0 0 0)    2.231A       1 100.00
Topology for ZE4
--------------------
Atom ZE4 doesn't link with bridge molecular ligands
Topology for ZF1
--------------------
Atom ZF1 doesn't link with bridge molecular ligands
Topology for ZF2
--------------------
Atom ZF2 doesn't link with bridge molecular ligands
Topology for ZG1
--------------------
Atom ZG1 links by bridge ligands and has
Common vertex with                               R(A-A)       f Total SA
ZE 2 0.2860 0.0417 0.4400 ( 0 0 0)    2.221A       1  16.80
ZE 3 0.1137 0.0651 0.7176 ( 0 0 0)    2.231A       1  15.66
ZE 1 0.1453 0.1013 0.4139 ( 0 0 0)    2.252A       1  15.81
Common edge with                               R(A-A)
ZD 1 0.5000 0.0000 1.0000 ( 0 0 1)    7.329A       2  25.59
ZD 1 -0.0000 -0.5000 0.5000 (-1-1 0) 10.351A       2  26.14
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Structural group analysis
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Structural group No 1
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Structure consists of layers ( 1 0-1) with ZG2ZE6ZD

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Structural group No 2
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Structure consists of molecular complex groups ZE

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Structural group No 3
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Structure consists of molecular complex groups ZF

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Structural group No 4
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Structure consists of molecular complex groups ZF
Elapsed time: 54.27 sec.

360截图20130516172841765.jpg

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