## |
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 |
|
E |
58 |
16 |
7398 |
◊ |
D |
-z+3/2,-x+1,y+1/2 |
7_665 |
64 |
18 |
7330 |
568.9 |
-7.4 |
0.172 |
4 |
0 |
0 |
0.027 |
2 |
|
C |
51 |
15 |
7229 |
◊ |
F |
-z+3/2,-x+1,y+1/2 |
7_665 |
59 |
14 |
6796 |
496.8 |
-8.3 |
0.107 |
5 |
0 |
0 |
0.027 |
3 |
|
B |
45 |
12 |
7162 |
◊ |
A |
x,y,z |
1_555 |
49 |
13 |
7101 |
448.4 |
-8.9 |
0.063 |
2 |
0 |
0 |
0.027 |
Average: |
504.7 |
-8.2 |
0.114 |
4 |
0 |
0 |
0.027 |
2 |
4 |
|
F |
52 |
13 |
6796 |
◊ |
C |
x,y,z |
1_555 |
60 |
16 |
7229 |
478.4 |
-0.2 |
0.736 |
8 |
16 |
0 |
0.016 |
5 |
|
E |
39 |
12 |
7398 |
◊ |
D |
x,y,z |
1_555 |
57 |
15 |
7330 |
442.9 |
-0.1 |
0.671 |
5 |
6 |
0 |
0.016 |
Average: |
460.6 |
-0.1 |
0.703 |
7 |
11 |
0 |
0.016 |
3 |
6 |
|
E |
53 |
14 |
7398 |
◊ |
B |
x,y,z |
1_555 |
50 |
15 |
7162 |
435.7 |
1.0 |
0.777 |
10 |
8 |
0 |
0.011 |
7 |
|
F |
53 |
15 |
6796 |
◊ |
A |
x,y,z |
1_555 |
56 |
16 |
7101 |
435.5 |
1.3 |
0.823 |
10 |
9 |
0 |
0.011 |
Average: |
435.6 |
1.2 |
0.800 |
10 |
9 |
0 |
0.011 |
4 |
8 |
|
C |
41 |
10 |
7229 |
◊ |
A |
x,y,z |
1_555 |
57 |
14 |
7101 |
416.0 |
1.7 |
0.710 |
4 |
5 |
0 |
0.005 |
9 |
|
D |
36 |
11 |
7330 |
◊ |
B |
x,y,z |
1_555 |
52 |
13 |
7162 |
345.8 |
-0.5 |
0.676 |
3 |
5 |
0 |
0.005 |
Average: |
380.9 |
0.6 |
0.693 |
4 |
5 |
0 |
0.005 |
5 |
10 |
|
B |
35 |
12 |
7162 |
◊ |
A |
z-1,x+1,y |
5_465 |
38 |
17 |
7101 |
356.9 |
0.5 |
0.660 |
3 |
0 |
0 |
0.000 |
6 |
11 |
|
C |
29 |
8 |
7229 |
◊ |
B |
x,y,z |
1_555 |
26 |
10 |
7162 |
232.9 |
-0.5 |
0.641 |
5 |
2 |
0 |
0.016 |
12 |
|
D |
28 |
9 |
7330 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
7101 |
193.8 |
-0.9 |
0.569 |
4 |
2 |
0 |
0.016 |
Average: |
213.4 |
-0.7 |
0.605 |
5 |
2 |
0 |
0.016 |
7 |
13 |
|
D |
27 |
9 |
7330 |
◊ |
A |
z-1,x+1,y |
5_465 |
26 |
8 |
7101 |
195.4 |
-1.7 |
0.470 |
3 |
0 |
0 |
0.000 |
8 |
14 |
|
E |
15 |
4 |
7398 |
◊ |
F |
z-1,x+1,y |
5_465 |
20 |
7 |
6796 |
148.4 |
1.2 |
0.822 |
0 |
2 |
0 |
0.000 |
9 |
15 |
|
C |
15 |
6 |
7229 |
◊ |
A |
-z+3/2,-x+1,y+1/2 |
7_665 |
16 |
6 |
7101 |
143.9 |
1.2 |
0.804 |
2 |
2 |
0 |
0.002 |
16 |
|
B |
14 |
6 |
7162 |
◊ |
D |
-z+3/2,-x+1,y+1/2 |
7_665 |
13 |
4 |
7330 |
109.1 |
0.7 |
0.760 |
2 |
2 |
0 |
0.002 |
Average: |
126.5 |
0.9 |
0.782 |
2 |
2 |
0 |
0.002 |
10 |
17 |
|
C |
13 |
4 |
7229 |
◊ |
D |
-z+3/2,-x+1,y+1/2 |
7_665 |
13 |
4 |
7330 |
125.1 |
0.5 |
0.715 |
2 |
0 |
0 |
0.000 |
11 |
18 |
|
B |
14 |
4 |
7162 |
◊ |
C |
z-1,x+1,y |
5_465 |
13 |
4 |
7229 |
113.3 |
-1.0 |
0.488 |
2 |
1 |
0 |
0.000 |
12 |
19 |
|
F |
12 |
6 |
6796 |
x |
F |
-z+3/2,-x+1,y+1/2 |
7_665 |
13 |
6 |
6796 |
88.4 |
0.5 |
0.737 |
0 |
0 |
0 |
0.000 |
20 |
|
E |
16 |
7 |
7398 |
x |
E |
-z+3/2,-x+1,y+1/2 |
7_665 |
10 |
6 |
7398 |
67.0 |
0.7 |
0.767 |
1 |
0 |
0 |
0.000 |
Average: |
77.7 |
0.6 |
0.752 |
1 |
0 |
0 |
0.000 |
13 |
21 |
|
B |
5 |
3 |
7162 |
◊ |
F |
z-1,x+1,y |
5_465 |
8 |
2 |
6796 |
82.6 |
-1.0 |
0.302 |
1 |
0 |
0 |
0.000 |
14 |
22 |
|
[ZN]D:207 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
7330 |
69.5 |
-31.8 |
0.000 |
0 |
0 |
0 |
0.332 |
15 |
23 |
|
D |
7 |
4 |
7330 |
x |
D |
-z+3/2,-x+1,y+1/2 |
7_665 |
4 |
1 |
7330 |
59.2 |
-0.5 |
0.383 |
1 |
0 |
0 |
0.009 |
24 |
|
C |
1 |
1 |
7229 |
x |
C |
-z+3/2,-x+1,y+1/2 |
7_665 |
1 |
1 |
7229 |
0.3 |
0.0 |
0.652 |
0 |
0 |
0 |
0.009 |
Average: |
29.7 |
-0.2 |
0.518 |
1 |
0 |
0 |
0.009 |
16 |
25 |
|
[ZN]B:207 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
7162 |
51.3 |
-26.7 |
0.000 |
0 |
0 |
0 |
0.145 |
17 |
26 |
|
[ZN]E:202 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
7398 |
49.5 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.143 |
27 |
|
[ZN]C:205 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
7 |
3 |
6796 |
32.4 |
-15.9 |
0.000 |
0 |
0 |
0 |
0.143 |
Average: |
40.9 |
-20.7 |
0.000 |
0 |
0 |
0 |
0.143 |
18 |
28 |
|
[ZN]C:203 |
1 |
1 |
98 |
x |
C |
x,y,z |
1_555 |
6 |
4 |
7229 |
46.0 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.133 |
29 |
|
[ZN]D:205 |
1 |
1 |
98 |
x |
D |
x,y,z |
1_555 |
7 |
3 |
7330 |
42.0 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.133 |
30 |
|
[ZN]F:205 |
1 |
1 |
98 |
x |
F |
x,y,z |
1_555 |
4 |
2 |
6796 |
25.6 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.133 |
Average: |
37.9 |
-18.1 |
0.000 |
0 |
0 |
0 |
0.133 |
19 |
31 |
|
[ZN]D:203 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
7 |
3 |
7398 |
43.5 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.185 |
32 |
|
[ZN]F:204 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
6 |
3 |
6796 |
40.0 |
-20.7 |
0.000 |
0 |
0 |
0 |
0.185 |
Average: |
41.8 |
-21.7 |
0.000 |
0 |
0 |
0 |
0.185 |
20 |
33 |
|
[ZN]F:204 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
7229 |
42.8 |
-17.8 |
0.000 |
0 |
0 |
0 |
0.054 |
34 |
|
[ZN]B:206 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
7162 |
33.1 |
-15.0 |
0.000 |
0 |
0 |
0 |
0.054 |
35 |
|
[ZN]B:205 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
7162 |
25.2 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.054 |
Average: |
33.7 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.054 |
21 |
36 |
|
[ZN]F:203 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
6796 |
42.4 |
-21.5 |
0.000 |
0 |
0 |
0 |
0.160 |
37 |
|
[ZN]C:202 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
7101 |
28.9 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.160 |
38 |
|
[ZN]D:204 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
7162 |
28.7 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.160 |
39 |
|
[ZN]B:202 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
7330 |
26.2 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.160 |
40 |
|
[ZN]F:202 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
7229 |
26.2 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.160 |
41 |
|
[ZN]C:202 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
7229 |
26.1 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.160 |
42 |
|
[ZN]B:202 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
7162 |
24.8 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.160 |
43 |
|
[ZN]D:204 |
1 |
1 |
98 |
c |
D |
x,y,z |
1_555 |
5 |
3 |
7330 |
24.6 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.160 |
44 |
|
[ZN]F:202 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
7101 |
15.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.160 |
Average: |
27.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.160 |
22 |
45 |
|
[ZN]D:201 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
7330 |
41.8 |
-28.8 |
0.000 |
0 |
0 |
0 |
0.301 |
46 |
|
[ZN]F:201 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
7 |
3 |
6796 |
38.4 |
-27.3 |
0.000 |
0 |
0 |
0 |
0.301 |
47 |
|
[ZN]E:201 |
1 |
1 |
98 |
cf |
E |
x,y,z |
1_555 |
7 |
3 |
7398 |
38.0 |
-26.7 |
0.000 |
0 |
0 |
0 |
0.301 |
48 |
|
[ZN]B:203 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
7162 |
37.5 |
-26.8 |
0.000 |
0 |
0 |
0 |
0.301 |
49 |
|
[ZN]A:201 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
7101 |
36.8 |
-25.1 |
0.000 |
0 |
0 |
0 |
0.301 |
50 |
|
[ZN]C:201 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
7229 |
34.5 |
-24.2 |
0.000 |
0 |
0 |
0 |
0.301 |
Average: |
37.8 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.301 |
23 |
51 |
|
[ZN]D:202 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
7101 |
41.4 |
-18.4 |
0.000 |
0 |
0 |
0 |
0.104 |
52 |
|
[ZN]C:204 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
7162 |
40.3 |
-16.8 |
0.000 |
0 |
0 |
0 |
0.104 |
Average: |
40.8 |
-17.6 |
0.000 |
0 |
0 |
0 |
0.104 |
24 |
53 |
|
[ZN]A:202 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
7101 |
39.9 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.116 |
54 |
|
[ZN]B:204 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
7162 |
34.2 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.116 |
Average: |
37.1 |
-18.5 |
0.000 |
0 |
0 |
0 |
0.116 |
25 |
55 |
|
[ZN]A:203 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
7101 |
35.6 |
-17.5 |
0.000 |
0 |
0 |
0 |
0.099 |
56 |
|
[ZN]B:201 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
7162 |
35.2 |
-17.4 |
0.000 |
0 |
0 |
0 |
0.099 |
Average: |
35.4 |
-17.5 |
0.000 |
0 |
0 |
0 |
0.099 |
26 |
57 |
|
[ZN]C:204 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
7229 |
35.1 |
-16.4 |
0.000 |
0 |
0 |
0 |
0.089 |
58 |
|
[ZN]D:202 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
7330 |
31.4 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.089 |
Average: |
33.3 |
-15.4 |
0.000 |
0 |
0 |
0 |
0.089 |
27 |
59 |
|
[ZN]B:208 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
7162 |
34.8 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.087 |
28 |
60 |
|
[ZN]D:203 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
7330 |
34.8 |
-16.1 |
0.000 |
0 |
0 |
0 |
0.033 |
29 |
61 |
|
C |
4 |
1 |
7229 |
◊ |
[ZN]A:202 |
-z+3/2,-x+1,y+1/2 |
7_665 |
1 |
1 |
98 |
34.0 |
-15.6 |
0.000 |
0 |
0 |
0 |
0.088 |
62 |
|
[ZN]B:204 |
1 |
1 |
98 |
◊ |
D |
-z+3/2,-x+1,y+1/2 |
7_665 |
3 |
1 |
7330 |
28.5 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.088 |
Average: |
31.2 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.088 |
30 |
63 |
|
[ZN]C:205 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
7229 |
33.5 |
-15.9 |
0.000 |
0 |
0 |
0 |
0.040 |
64 |
|
[ZN]E:202 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
7330 |
28.9 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.040 |
Average: |
31.2 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.040 |
31 |
65 |
|
[ZN]F:202 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
3 |
2 |
6796 |
31.6 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.129 |
32 |
66 |
|
[ZN]A:201 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
7229 |
30.5 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.065 |
67 |
|
[ZN]B:203 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
7330 |
29.6 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.065 |
68 |
|
[ZN]E:201 |
1 |
1 |
98 |
c |
B |
x,y,z |
1_555 |
6 |
3 |
7162 |
28.4 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.065 |
69 |
|
[ZN]F:201 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
7101 |
27.7 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.065 |
Average: |
29.0 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.065 |
33 |
70 |
|
[ZN]C:203 |
1 |
1 |
98 |
f |
A |
-z+3/2,-x+1,y+1/2 |
7_665 |
3 |
1 |
7101 |
29.7 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.074 |
71 |
|
B |
3 |
1 |
7162 |
f |
[ZN]D:205 |
-z+3/2,-x+1,y+1/2 |
7_665 |
1 |
1 |
98 |
22.6 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.074 |
Average: |
26.1 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.074 |
34 |
72 |
|
[ZN]A:203 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
7330 |
29.4 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.058 |
73 |
|
[ZN]B:201 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
7229 |
29.2 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.058 |
Average: |
29.3 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.058 |
35 |
74 |
|
[ZN]B:204 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
7398 |
28.9 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.023 |
75 |
|
[ZN]A:202 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
6796 |
8.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.023 |
Average: |
18.4 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.023 |
36 |
76 |
|
[ZN]B:206 |
1 |
1 |
98 |
f |
[ZN]B:205 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.9 |
-21.5 |
0.000 |
0 |
0 |
0 |
0.224 |
37 |
77 |
|
[ZN]B:201 |
1 |
1 |
98 |
◊ |
D |
-z+3/2,-x+1,y+1/2 |
7_665 |
3 |
1 |
7330 |
26.6 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.055 |
78 |
|
C |
4 |
1 |
7229 |
◊ |
[ZN]A:203 |
-z+3/2,-x+1,y+1/2 |
7_665 |
1 |
1 |
98 |
25.7 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.055 |
Average: |
26.1 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.055 |
38 |
79 |
|
[ZN]C:202 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
7 |
3 |
6796 |
23.9 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.095 |
80 |
|
[ZN]B:202 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
7398 |
23.3 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.095 |
81 |
|
[ZN]D:204 |
1 |
1 |
98 |
cf |
E |
x,y,z |
1_555 |
5 |
2 |
7398 |
22.4 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.095 |
Average: |
23.2 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.095 |
39 |
82 |
|
[ZN]F:203 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
7101 |
22.8 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.055 |
40 |
83 |
|
[ZN]C:201 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
6 |
4 |
6796 |
22.0 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.024 |
84 |
|
[ZN]D:201 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
7398 |
19.0 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.024 |
Average: |
20.5 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.024 |
41 |
85 |
|
[ZN]D:206 |
1 |
1 |
98 |
x |
D |
x,y,z |
1_555 |
2 |
1 |
7330 |
15.7 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.070 |
42 |
86 |
|
[ZN]D:204 |
1 |
1 |
98 |
f |
[ZN]B:202 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.6 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.026 |
43 |
87 |
|
[ZN]B:206 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
7330 |
15.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.064 |
44 |
88 |
|
[ZN]C:206 |
1 |
1 |
98 |
x |
C |
x,y,z |
1_555 |
4 |
1 |
7229 |
15.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.006 |
45 |
89 |
|
[ZN]C:205 |
1 |
1 |
98 |
◊ |
[ZN]C:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.9 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.028 |
46 |
90 |
|
[ZN]D:206 |
1 |
1 |
98 |
x |
E |
x,y,z |
1_555 |
3 |
1 |
7398 |
11.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.004 |
47 |
91 |
|
[ZN]F:202 |
1 |
1 |
98 |
f |
[ZN]C:202 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.3 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.074 |
48 |
92 |
|
[ZN]F:203 |
1 |
1 |
98 |
◊ |
[ZN]F:202 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.1 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.017 |
49 |
93 |
|
[ZN]C:206 |
1 |
1 |
98 |
x |
F |
x,y,z |
1_555 |
2 |
1 |
6796 |
6.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.023 |
50 |
94 |
|
[ZN]F:202 |
1 |
1 |
98 |
f |
[ZN]C:205 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.032 |
51 |
95 |
|
[ZN]E:202 |
1 |
1 |
98 |
◊ |
[ZN]D:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.006 |
52 |
96 |
|
C |
1 |
1 |
7229 |
◊ |
[ZN]D:205 |
-z+3/2,-x+1,y+1/2 |
7_665 |
1 |
1 |
98 |
0.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|