## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
B |
67 |
19 |
3735 |
◊ |
A |
x,y,z |
1_555 |
63 |
17 |
3724 |
581.0 |
-7.1 |
0.318 |
4 |
0 |
0 |
0.003 |
2 |
2 |
|
A |
56 |
15 |
3724 |
◊ |
B |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
58 |
14 |
3735 |
420.8 |
-6.5 |
0.253 |
3 |
0 |
0 |
0.024 |
3 |
3 |
|
B |
36 |
11 |
3735 |
◊ |
B |
-x-1,y,-z-1/2 |
3_454 |
36 |
11 |
3735 |
302.9 |
1.1 |
0.750 |
4 |
0 |
0 |
0.004 |
4 |
|
A |
33 |
10 |
3724 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
34 |
10 |
3724 |
273.8 |
0.3 |
0.722 |
6 |
0 |
0 |
0.004 |
Average: |
288.4 |
0.7 |
0.736 |
5 |
0 |
0 |
0.004 |
4 |
5 |
|
B |
14 |
6 |
3735 |
◊ |
A |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
8 |
3 |
3724 |
66.5 |
2.0 |
0.824 |
1 |
1 |
0 |
0.000 |
6 |
|
A |
5 |
3 |
3724 |
◊ |
B |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
4 |
2 |
3735 |
35.3 |
0.7 |
0.791 |
1 |
1 |
0 |
0.000 |
Average: |
50.9 |
1.3 |
0.807 |
1 |
1 |
0 |
0.000 |
5 |
7 |
|
B |
8 |
2 |
3735 |
◊ |
B |
x,-y,-z |
4_555 |
8 |
2 |
3735 |
63.7 |
0.8 |
0.777 |
2 |
2 |
0 |
0.000 |
6 |
8 |
|
[CL]B:202 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
3735 |
56.6 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.045 |
7 |
9 |
|
A |
11 |
4 |
3724 |
◊ |
[IMD]B:301 |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
5 |
1 |
196 |
56.0 |
1.6 |
0.203 |
0 |
0 |
0 |
0.000 |
8 |
10 |
|
B |
8 |
4 |
3735 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
7 |
3 |
3724 |
51.4 |
0.4 |
0.596 |
0 |
0 |
0 |
0.000 |
9 |
11 |
|
[ZN]B:108 |
1 |
1 |
98 |
f |
[ZN]B:108 |
x,-y,-z |
4_555 |
1 |
1 |
98 |
43.8 |
-35.1 |
0.000 |
0 |
0 |
0 |
0.100 |
10 |
12 |
|
[CL]A:208 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
3724 |
43.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.049 |
13 |
|
[CL]B:207 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
3735 |
33.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.049 |
Average: |
38.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.049 |
11 |
14 |
|
[CL]A:208 |
1 |
1 |
125 |
◊ |
B |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
6 |
4 |
3735 |
40.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.043 |
15 |
|
A |
8 |
3 |
3724 |
◊ |
[CL]B:209 |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
1 |
1 |
125 |
36.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.043 |
16 |
|
A |
8 |
4 |
3724 |
◊ |
[CL]B:207 |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
1 |
1 |
125 |
30.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.043 |
Average: |
36.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.043 |
12 |
17 |
|
[CL]A:203 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
3724 |
40.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.039 |
18 |
|
[CL]B:210 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
3735 |
31.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.039 |
Average: |
36.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.039 |
13 |
19 |
|
A |
5 |
2 |
3724 |
◊ |
A |
x,-y-1,-z |
4_545 |
5 |
2 |
3724 |
38.1 |
0.1 |
0.705 |
0 |
2 |
0 |
0.000 |
14 |
20 |
|
[CL]B:210 |
1 |
1 |
125 |
◊ |
A |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
12 |
3 |
3724 |
34.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
21 |
|
[CL]A:203 |
1 |
1 |
125 |
◊ |
B |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
10 |
2 |
3735 |
29.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
32.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
[ZN]A:101 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
3724 |
34.8 |
-17.9 |
0.000 |
0 |
0 |
0 |
0.153 |
23 |
|
[ZN]B:103 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
3735 |
32.2 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.153 |
Average: |
33.5 |
-17.3 |
0.000 |
0 |
0 |
0 |
0.153 |
16 |
24 |
|
[CL]A:205 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
3724 |
34.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.043 |
25 |
|
[CL]B:206 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
3735 |
19.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.043 |
26 |
|
[CL]A:204 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
3724 |
16.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.043 |
Average: |
23.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.043 |
17 |
27 |
|
[ZN]B:104 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
3735 |
32.7 |
-15.1 |
0.000 |
0 |
0 |
0 |
0.088 |
28 |
|
[ZN]A:102 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
3724 |
22.6 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.088 |
Average: |
27.6 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.088 |
18 |
29 |
|
[CL]A:208 |
1 |
1 |
125 |
f |
[ZN]A:106 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.6 |
-18.1 |
0.000 |
0 |
0 |
0 |
0.155 |
19 |
30 |
|
[ZN]A:106 |
1 |
1 |
98 |
◊ |
B |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
9 |
4 |
3735 |
30.1 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.063 |
31 |
|
A |
5 |
3 |
3724 |
◊ |
[ZN]B:107 |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
1 |
1 |
98 |
14.1 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.063 |
Average: |
22.1 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.063 |
20 |
32 |
|
[CL]B:201 |
1 |
1 |
125 |
◊ |
B |
-x-1,y,-z-1/2 |
3_454 |
10 |
3 |
3735 |
29.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.022 |
21 |
33 |
|
[CL]B:201 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
3735 |
29.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.018 |
22 |
34 |
|
[ZN]B:105 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
3735 |
28.5 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.080 |
23 |
35 |
|
[ZN]B:108 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
8 |
4 |
3735 |
28.3 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.122 |
24 |
36 |
|
A |
4 |
1 |
3724 |
◊ |
[CL]B:206 |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
1 |
1 |
125 |
28.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
|
B |
2 |
1 |
3735 |
◊ |
[CL]A:204 |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
1 |
1 |
125 |
22.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
|
B |
2 |
1 |
3735 |
◊ |
[CL]A:205 |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
1 |
1 |
125 |
12.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
20.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
39 |
|
[CL]B:206 |
1 |
1 |
125 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
4 |
2 |
3724 |
27.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.023 |
40 |
|
B |
3 |
1 |
3735 |
◊ |
[CL]A:204 |
x-1/2,-y-1/2,-z |
8_445 |
1 |
1 |
125 |
25.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.023 |
41 |
|
B |
2 |
1 |
3735 |
◊ |
[CL]A:205 |
x-1/2,-y-1/2,-z |
8_445 |
1 |
1 |
125 |
11.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.023 |
Average: |
21.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.023 |
26 |
42 |
|
[IMD]B:301 |
3 |
1 |
196 |
◊ |
B |
x,-y,-z-1 |
4_554 |
3 |
1 |
3735 |
27.1 |
0.5 |
0.201 |
1 |
0 |
0 |
0.000 |
27 |
43 |
|
[CL]B:206 |
1 |
1 |
125 |
f |
[ZN]B:104 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.6 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.085 |
28 |
44 |
|
[CL]A:203 |
1 |
1 |
125 |
◊ |
B |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
3 |
1 |
3735 |
25.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.012 |
45 |
|
A |
2 |
1 |
3724 |
◊ |
[CL]B:210 |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
1 |
1 |
125 |
16.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
20.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.012 |
29 |
46 |
|
[CL]A:205 |
1 |
1 |
125 |
f |
[CL]A:204 |
x,y,z |
1_555 |
1 |
1 |
125 |
25.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.043 |
30 |
47 |
|
[CL]A:203 |
1 |
1 |
125 |
f |
[ZN]A:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.0 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.115 |
31 |
48 |
|
[ZN]B:103 |
1 |
1 |
98 |
◊ |
A |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
10 |
3 |
3724 |
23.9 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
|
[ZN]A:101 |
1 |
1 |
98 |
◊ |
B |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
5 |
2 |
3735 |
15.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
19.6 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
50 |
|
[CL]A:204 |
1 |
1 |
125 |
◊ |
A |
x,-y-1,-z |
4_545 |
3 |
1 |
3724 |
22.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.028 |
51 |
|
[CL]B:206 |
1 |
1 |
125 |
◊ |
B |
x,-y,-z |
4_555 |
2 |
1 |
3735 |
21.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.028 |
52 |
|
[CL]A:205 |
1 |
1 |
125 |
◊ |
A |
x,-y-1,-z |
4_545 |
3 |
1 |
3724 |
14.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.028 |
Average: |
19.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.028 |
33 |
53 |
|
[IMD]B:301 |
3 |
1 |
196 |
f |
[ZN]B:107 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.5 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.053 |
34 |
54 |
|
[CL]B:209 |
1 |
1 |
125 |
f |
[ZN]B:107 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.2 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.064 |
35 |
55 |
|
[CL]B:202 |
1 |
1 |
125 |
f |
[ZN]B:105 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.0 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.060 |
36 |
56 |
|
[CL]A:205 |
1 |
1 |
125 |
f |
[ZN]A:102 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.8 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.097 |
37 |
57 |
|
[CL]B:201 |
1 |
1 |
125 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
3 |
1 |
3724 |
21.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.007 |
38 |
58 |
|
[ZN]A:106 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
3724 |
21.2 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.081 |
59 |
|
[ZN]B:107 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
3735 |
17.9 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.081 |
Average: |
19.6 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.081 |
39 |
60 |
|
[IMD]B:301 |
2 |
1 |
196 |
f |
[CL]B:209 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.011 |
40 |
61 |
|
[CL]B:210 |
1 |
1 |
125 |
f |
[ZN]B:103 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.7 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.065 |
41 |
62 |
|
[IMD]B:301 |
2 |
1 |
196 |
f |
[CL]B:207 |
x,y,z |
1_555 |
1 |
1 |
125 |
20.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.009 |
42 |
63 |
|
[CL]B:207 |
1 |
1 |
125 |
f |
[ZN]B:107 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.0 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.062 |
43 |
64 |
|
[CL]B:201 |
1 |
1 |
125 |
f |
[ZN]B:105 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.4 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.057 |
44 |
65 |
|
[CL]A:204 |
1 |
1 |
125 |
f |
[ZN]A:102 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.7 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.081 |
45 |
66 |
|
[CL]B:202 |
1 |
1 |
125 |
f |
[CL]B:201 |
x,y,z |
1_555 |
1 |
1 |
125 |
18.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.021 |
46 |
67 |
|
[CL]B:209 |
1 |
1 |
125 |
f |
[CL]B:207 |
x,y,z |
1_555 |
1 |
1 |
125 |
18.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.021 |
47 |
68 |
|
[CL]B:209 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
3735 |
17.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.011 |
48 |
69 |
|
[IMD]B:301 |
2 |
1 |
196 |
◊ |
[CL]B:210 |
x,-y,-z-1 |
4_554 |
1 |
1 |
125 |
16.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
70 |
|
[ZN]B:105 |
1 |
1 |
98 |
◊ |
B |
-x-1,y,-z-1/2 |
3_454 |
7 |
2 |
3735 |
16.8 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.041 |
50 |
71 |
|
B |
4 |
2 |
3735 |
◊ |
[ZN]A:102 |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
1 |
1 |
98 |
15.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.000 |
72 |
|
A |
3 |
1 |
3724 |
◊ |
[ZN]B:104 |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
1 |
1 |
98 |
8.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
11.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
73 |
|
[ZN]B:104 |
1 |
1 |
98 |
◊ |
B |
x,-y,-z |
4_555 |
2 |
1 |
3735 |
14.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.038 |
74 |
|
[ZN]A:102 |
1 |
1 |
98 |
◊ |
A |
x,-y-1,-z |
4_545 |
3 |
1 |
3724 |
14.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.038 |
Average: |
14.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.038 |
52 |
75 |
|
[ZN]A:101 |
1 |
1 |
98 |
◊ |
B |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
3 |
1 |
3735 |
11.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.022 |
76 |
|
A |
2 |
1 |
3724 |
◊ |
[ZN]B:103 |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
1 |
1 |
98 |
7.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
9.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.022 |
53 |
77 |
|
[IMD]B:301 |
2 |
1 |
196 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
3735 |
11.2 |
0.1 |
0.164 |
0 |
0 |
0 |
0.000 |
54 |
78 |
|
[ZN]B:105 |
1 |
1 |
98 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
2 |
1 |
3724 |
9.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.009 |
55 |
79 |
|
[IMD]B:301 |
2 |
1 |
196 |
◊ |
[ZN]B:103 |
x,-y,-z-1 |
4_554 |
1 |
1 |
98 |
5.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
56 |
80 |
|
[ZN]B:104 |
1 |
1 |
98 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
2 |
1 |
3724 |
4.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.010 |
81 |
|
B |
1 |
1 |
3735 |
◊ |
[ZN]A:102 |
x-1/2,-y-1/2,-z |
8_445 |
1 |
1 |
98 |
3.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
4.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.010 |
57 |
82 |
|
[CL]B:206 |
1 |
1 |
125 |
◊ |
[CL]A:205 |
x-1/2,-y-1/2,-z |
8_445 |
1 |
1 |
125 |
4.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.003 |
58 |
83 |
|
[CL]B:210 |
1 |
1 |
125 |
◊ |
[ZN]A:102 |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
1 |
1 |
98 |
4.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
59 |
84 |
|
[CL]B:202 |
1 |
1 |
125 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
1 |
1 |
3724 |
3.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.001 |
60 |
85 |
|
B |
1 |
1 |
3735 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
1 |
1 |
3724 |
2.3 |
0.1 |
0.795 |
0 |
0 |
0 |
0.000 |
61 |
86 |
|
[CL]B:210 |
1 |
1 |
125 |
◊ |
[CL]A:205 |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
1 |
1 |
125 |
1.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
62 |
87 |
|
[ZN]B:104 |
1 |
1 |
98 |
◊ |
[CL]A:205 |
x-1/2,-y-1/2,-z |
8_445 |
1 |
1 |
125 |
0.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
63 |
88 |
|
[CL]B:202 |
1 |
1 |
125 |
◊ |
B |
-x-1,y,-z-1/2 |
3_454 |
2 |
1 |
3735 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|