| ## |
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 |
95 |
29 |
15756 |
◊ |
A |
x,y,z |
1_555 |
95 |
28 |
15668 |
860.6 |
-1.6 |
0.504 |
14 |
8 |
0 |
0.160 |
2 |
|
C |
93 |
29 |
15504 |
◊ |
D |
x,y,z |
1_555 |
99 |
31 |
16009 |
857.2 |
-2.1 |
0.455 |
15 |
4 |
0 |
0.160 |
| Average: |
858.9 |
-1.8 |
0.480 |
15 |
6 |
0 |
0.160 |
| 2 |
3 |
|
B |
86 |
28 |
15756 |
◊ |
A |
x-1,y,z |
1_455 |
90 |
27 |
15668 |
840.2 |
-0.2 |
0.584 |
21 |
8 |
0 |
0.000 |
4 |
|
C |
85 |
26 |
15504 |
◊ |
D |
x,y-1,z |
1_545 |
92 |
27 |
16009 |
802.2 |
-0.3 |
0.561 |
20 |
7 |
0 |
0.000 |
| Average: |
821.2 |
-0.3 |
0.572 |
21 |
8 |
0 |
0.000 |
| 3 |
5 |
|
A |
81 |
24 |
15668 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
98 |
30 |
15756 |
816.9 |
-2.9 |
0.398 |
4 |
2 |
0 |
0.039 |
| 4 |
6 |
|
B |
68 |
15 |
15756 |
x |
B |
x-1,y,z |
1_455 |
68 |
20 |
15756 |
574.1 |
-3.4 |
0.291 |
13 |
2 |
0 |
0.000 |
| 5 |
7 |
|
C |
62 |
14 |
15504 |
x |
C |
x,y-1,z |
1_545 |
67 |
19 |
15504 |
533.8 |
-3.3 |
0.217 |
12 |
2 |
0 |
0.000 |
| 6 |
8 |
|
C |
54 |
14 |
15504 |
◊ |
D |
x-1/2,-y+3/2,-z |
4_465 |
48 |
15 |
16009 |
500.4 |
-1.0 |
0.466 |
4 |
2 |
0 |
0.000 |
| 7 |
9 |
|
C |
47 |
13 |
15504 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
43 |
14 |
15756 |
397.7 |
0.9 |
0.645 |
6 |
0 |
0 |
0.030 |
| 8 |
10 |
|
C |
35 |
10 |
15504 |
◊ |
B |
x,y-1,z |
1_545 |
44 |
13 |
15756 |
357.8 |
-3.3 |
0.255 |
2 |
0 |
0 |
0.000 |
| 9 |
11 |
|
A |
35 |
13 |
15668 |
◊ |
C |
x-1/2,-y+3/2,-z |
4_465 |
31 |
10 |
15504 |
286.2 |
-0.9 |
0.452 |
2 |
0 |
0 |
0.000 |
| 10 |
12 |
|
D |
29 |
10 |
16009 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
28 |
11 |
15756 |
258.1 |
-0.7 |
0.481 |
2 |
1 |
0 |
0.000 |
| 11 |
13 |
|
D |
26 |
12 |
16009 |
x |
D |
x,y-1,z |
1_545 |
33 |
13 |
16009 |
240.3 |
-0.5 |
0.519 |
0 |
0 |
0 |
0.000 |
| 12 |
14 |
|
A |
21 |
7 |
15668 |
◊ |
D |
x-1/2,-y+3/2,-z |
4_465 |
26 |
7 |
16009 |
235.2 |
-0.1 |
0.556 |
1 |
0 |
0 |
0.000 |
| 13 |
15 |
|
A |
29 |
13 |
15668 |
x |
A |
x-1,y,z |
1_455 |
26 |
11 |
15668 |
222.1 |
0.6 |
0.610 |
3 |
3 |
0 |
0.000 |
| 14 |
16 |
|
C |
21 |
10 |
15504 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
14 |
7 |
16009 |
188.4 |
-1.2 |
0.166 |
0 |
0 |
0 |
0.000 |
| 15 |
17 |
|
C |
22 |
8 |
15504 |
◊ |
D |
x-1/2,-y+5/2,-z |
4_475 |
22 |
8 |
16009 |
182.3 |
0.9 |
0.532 |
1 |
0 |
0 |
0.000 |
| 16 |
18 |
|
B |
20 |
7 |
15756 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
23 |
7 |
16009 |
162.1 |
-1.3 |
0.400 |
1 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[EDO]B:302 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
15756 |
101.0 |
2.6 |
0.420 |
2 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[EDO]A:304 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
15668 |
98.4 |
4.0 |
0.552 |
2 |
0 |
0 |
0.000 |
| 19 |
21 |
|
C |
16 |
6 |
15504 |
◊ |
[GOL]C:306 |
x,y-1,z |
1_545 |
6 |
1 |
220 |
98.1 |
0.2 |
0.559 |
2 |
0 |
0 |
0.000 |
| 20 |
22 |
|
A |
10 |
2 |
15668 |
◊ |
D |
x-1,y-1,z |
1_445 |
10 |
3 |
16009 |
93.0 |
-0.4 |
0.462 |
0 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[SO4]B:308 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
15756 |
90.7 |
-11.6 |
0.655 |
0 |
0 |
0 |
0.196 |
| 22 |
24 |
|
C |
13 |
6 |
15504 |
◊ |
[EDO]D:301 |
x,y-1,z |
1_545 |
4 |
1 |
185 |
89.8 |
2.0 |
0.209 |
0 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[EDO]C:305 |
4 |
1 |
185 |
cf |
D |
x-1/2,-y+1/2,-z |
4_455 |
12 |
4 |
16009 |
87.7 |
2.8 |
0.412 |
2 |
0 |
0 |
0.000 |
| 24 |
26 |
|
A |
10 |
4 |
15668 |
f |
[SO4]B:307 |
-x+2,y-1/2,-z+1/2 |
3_745 |
5 |
1 |
186 |
87.2 |
-12.3 |
0.740 |
2 |
0 |
0 |
0.166 |
| 25 |
27 |
|
A |
13 |
5 |
15668 |
f |
[SO4]B:306 |
-x+2,y-1/2,-z+1/2 |
3_745 |
5 |
1 |
185 |
85.1 |
-12.2 |
0.718 |
4 |
0 |
0 |
0.177 |
| 26 |
28 |
|
B |
9 |
4 |
15756 |
◊ |
[EDO]D:305 |
x-1/2,-y+3/2,-z |
4_465 |
4 |
1 |
186 |
82.4 |
3.1 |
0.524 |
1 |
0 |
0 |
0.000 |
| 27 |
29 |
|
[EDO]D:304 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
16009 |
81.3 |
2.8 |
0.292 |
1 |
0 |
0 |
0.000 |
| 28 |
30 |
|
[EDO]B:301 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
15756 |
80.8 |
2.4 |
0.277 |
3 |
0 |
0 |
0.000 |
| 29 |
31 |
|
[EDO]B:311 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
15756 |
80.4 |
2.4 |
0.285 |
0 |
0 |
0 |
0.000 |
| 30 |
32 |
|
[EDO]A:302 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
15668 |
77.9 |
3.1 |
0.296 |
1 |
0 |
0 |
0.000 |
| 31 |
33 |
|
B |
9 |
4 |
15756 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
12 |
4 |
15756 |
76.6 |
-1.3 |
0.233 |
0 |
0 |
0 |
0.000 |
| 32 |
34 |
|
[EDO]A:305 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
15668 |
76.3 |
3.1 |
0.919 |
2 |
0 |
0 |
0.000 |
| 33 |
35 |
|
B |
10 |
2 |
15756 |
◊ |
D |
-x+2,y-1/2,-z+1/2 |
3_745 |
6 |
2 |
16009 |
75.3 |
-1.0 |
0.219 |
0 |
0 |
0 |
0.000 |
| 34 |
36 |
|
[EDO]A:301 |
4 |
1 |
185 |
◊ |
D |
x-1/2,-y+3/2,-z |
4_465 |
13 |
7 |
16009 |
73.6 |
2.5 |
0.867 |
2 |
0 |
0 |
0.000 |
| 35 |
37 |
|
[SO4]D:303 |
5 |
1 |
184 |
f |
A |
-x+5/2,-y+1,z-1/2 |
2_764 |
10 |
4 |
15668 |
72.9 |
-9.5 |
0.747 |
3 |
0 |
0 |
0.136 |
| 36 |
38 |
|
[SO4]C:303 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
15504 |
67.7 |
-8.4 |
0.912 |
5 |
0 |
0 |
0.183 |
| 37 |
39 |
|
A |
7 |
4 |
15668 |
f |
[SO4]B:305 |
-x+2,y-1/2,-z+1/2 |
3_745 |
5 |
1 |
185 |
67.4 |
-8.8 |
0.831 |
1 |
0 |
0 |
0.117 |
| 38 |
40 |
|
[SO4]D:302 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
16009 |
67.1 |
-8.3 |
0.911 |
5 |
0 |
0 |
0.217 |
| 39 |
41 |
|
A |
8 |
3 |
15668 |
◊ |
D |
x,y-1,z |
1_545 |
9 |
4 |
16009 |
66.6 |
0.6 |
0.662 |
0 |
0 |
0 |
0.000 |
| 40 |
42 |
|
[SO4]B:304 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
15756 |
66.0 |
-8.1 |
0.924 |
4 |
0 |
0 |
0.166 |
| 41 |
43 |
|
[EDO]C:302 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
15504 |
65.8 |
2.5 |
0.292 |
1 |
0 |
0 |
0.000 |
| 42 |
44 |
|
[SO4]C:304 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
15504 |
65.5 |
-8.3 |
0.842 |
4 |
0 |
0 |
0.172 |
| 43 |
45 |
|
A |
9 |
3 |
15668 |
f |
[EDO]B:309 |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
1 |
185 |
65.3 |
1.5 |
0.736 |
4 |
0 |
0 |
0.004 |
| 44 |
46 |
|
[SO4]C:304 |
4 |
1 |
186 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
10 |
3 |
15756 |
63.7 |
-8.6 |
0.717 |
1 |
0 |
0 |
0.152 |
| 45 |
47 |
|
A |
10 |
3 |
15668 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
3 |
15756 |
63.5 |
-1.2 |
0.296 |
0 |
0 |
0 |
0.000 |
| 46 |
48 |
|
[EDO]A:303 |
4 |
1 |
185 |
f |
C |
-x+2,y-1/2,-z+1/2 |
3_745 |
7 |
4 |
15504 |
63.3 |
2.0 |
0.886 |
1 |
0 |
0 |
0.000 |
| 47 |
49 |
|
[EDO]D:306 |
4 |
1 |
183 |
◊ |
A |
-x+5/2,-y+1,z-1/2 |
2_764 |
6 |
4 |
15668 |
62.4 |
1.3 |
0.606 |
1 |
0 |
0 |
0.000 |
| 48 |
50 |
|
[SO4]C:303 |
5 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
16009 |
61.5 |
-8.5 |
0.656 |
3 |
0 |
0 |
0.168 |
| 49 |
51 |
|
A |
10 |
4 |
15668 |
◊ |
[EDO]B:310 |
-x+2,y-1/2,-z+1/2 |
3_745 |
4 |
1 |
186 |
57.0 |
1.9 |
0.897 |
1 |
0 |
0 |
0.000 |
| 50 |
52 |
|
C |
6 |
3 |
15504 |
f |
[SO4]B:303 |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
1 |
185 |
54.7 |
-6.4 |
0.902 |
2 |
0 |
0 |
0.124 |
| 51 |
53 |
|
[SO4]B:304 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
15668 |
54.5 |
-7.7 |
0.639 |
3 |
0 |
0 |
0.114 |
| 52 |
54 |
|
C |
9 |
4 |
15504 |
◊ |
[EDO]A:303 |
-x+2,y-1/2,-z+1/2 |
3_745 |
4 |
1 |
185 |
53.6 |
2.3 |
0.903 |
0 |
0 |
0 |
0.000 |
| 53 |
55 |
|
A |
6 |
3 |
15668 |
◊ |
C |
x-1,y+1,z |
1_465 |
7 |
3 |
15504 |
52.3 |
0.8 |
0.741 |
1 |
2 |
0 |
0.000 |
| 54 |
56 |
|
A |
8 |
4 |
15668 |
◊ |
[EDO]B:312 |
-x+2,y-1/2,-z+1/2 |
3_745 |
4 |
1 |
182 |
52.2 |
1.2 |
0.738 |
0 |
0 |
0 |
0.000 |
| 55 |
57 |
|
[GOL]C:306 |
4 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
15504 |
51.2 |
-0.7 |
0.288 |
0 |
0 |
0 |
0.013 |
| 56 |
58 |
|
[SO4]D:302 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
15504 |
49.3 |
-6.8 |
0.711 |
2 |
0 |
0 |
0.131 |
| 57 |
59 |
|
A |
7 |
3 |
15668 |
◊ |
D |
x-1,y,z |
1_455 |
5 |
1 |
16009 |
48.9 |
1.1 |
0.801 |
0 |
3 |
0 |
0.000 |
| 58 |
60 |
|
[EDO]D:301 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
16009 |
48.8 |
1.0 |
0.762 |
1 |
0 |
0 |
0.000 |
| 59 |
61 |
|
[SO4]B:306 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
15756 |
48.2 |
-5.4 |
0.889 |
2 |
0 |
0 |
0.050 |
| 60 |
62 |
|
[EDO]C:301 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
15504 |
47.6 |
1.9 |
0.906 |
1 |
0 |
0 |
0.000 |
| 61 |
63 |
|
[EDO]B:309 |
3 |
1 |
185 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
3 |
15756 |
44.6 |
0.4 |
0.545 |
1 |
0 |
0 |
0.000 |
| 62 |
64 |
|
[SO4]B:303 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
15756 |
41.3 |
-3.5 |
0.975 |
2 |
0 |
0 |
0.073 |
| 63 |
65 |
|
B |
3 |
1 |
15756 |
◊ |
D |
x-1/2,-y+3/2,-z |
4_465 |
4 |
1 |
16009 |
39.8 |
-0.1 |
0.528 |
0 |
0 |
0 |
0.000 |
| 64 |
66 |
|
A |
4 |
1 |
15668 |
◊ |
[SO4]B:308 |
-x+2,y-1/2,-z+1/2 |
3_745 |
4 |
1 |
185 |
38.9 |
-4.2 |
0.821 |
2 |
0 |
0 |
0.040 |
| 65 |
67 |
|
[EDO]A:301 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
15668 |
37.9 |
1.6 |
0.874 |
0 |
0 |
0 |
0.000 |
| 66 |
68 |
|
D |
3 |
1 |
16009 |
◊ |
[SO4]B:303 |
-x+3/2,-y+1,z-1/2 |
2_664 |
4 |
1 |
185 |
36.6 |
-3.1 |
0.971 |
1 |
0 |
0 |
0.000 |
| 67 |
69 |
|
[SO4]B:305 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
15756 |
34.4 |
-3.0 |
0.962 |
2 |
0 |
0 |
0.031 |
| 68 |
70 |
|
[EDO]A:305 |
3 |
1 |
185 |
f |
[EDO]A:304 |
x,y,z |
1_555 |
2 |
1 |
184 |
33.9 |
1.8 |
0.707 |
0 |
0 |
0 |
0.000 |
| 69 |
71 |
|
A |
3 |
1 |
15668 |
f |
[EDO]C:301 |
x-1/2,-y+3/2,-z |
4_465 |
3 |
1 |
182 |
33.3 |
1.5 |
0.968 |
1 |
0 |
0 |
0.000 |
| 70 |
72 |
|
[EDO]C:305 |
3 |
1 |
185 |
◊ |
[EDO]B:312 |
-x+2,y-1/2,-z+1/2 |
3_745 |
4 |
1 |
182 |
31.1 |
1.1 |
1.000 |
1 |
0 |
0 |
0.000 |
| 71 |
73 |
|
[EDO]D:304 |
3 |
1 |
185 |
◊ |
[EDO]D:301 |
x,y,z |
1_555 |
3 |
1 |
185 |
30.5 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 72 |
74 |
|
A |
3 |
1 |
15668 |
◊ |
[EDO]B:311 |
-x+2,y-1/2,-z+1/2 |
3_745 |
2 |
1 |
185 |
29.0 |
0.2 |
0.559 |
0 |
0 |
0 |
0.000 |
| 73 |
75 |
|
[EDO]B:302 |
3 |
1 |
186 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
2 |
15668 |
27.0 |
0.6 |
0.738 |
0 |
0 |
0 |
0.000 |
| 74 |
76 |
|
[EDO]C:302 |
3 |
1 |
183 |
f |
D |
x-1/2,-y+3/2,-z |
4_465 |
5 |
2 |
16009 |
21.6 |
0.9 |
0.824 |
0 |
0 |
0 |
0.000 |
| 75 |
77 |
|
[SO4]D:303 |
2 |
1 |
184 |
◊ |
[EDO]D:306 |
x,y,z |
1_555 |
2 |
1 |
183 |
20.2 |
-2.3 |
0.980 |
1 |
0 |
0 |
0.034 |
| 76 |
78 |
|
D |
3 |
1 |
16009 |
◊ |
[EDO]B:312 |
-x+5/2,-y+1,z-1/2 |
2_764 |
4 |
1 |
182 |
18.1 |
0.4 |
0.609 |
0 |
0 |
0 |
0.000 |
| 77 |
79 |
|
[SO4]B:307 |
4 |
1 |
186 |
◊ |
[EDO]B:311 |
x,y,z |
1_555 |
3 |
1 |
185 |
17.3 |
-1.4 |
0.999 |
0 |
0 |
0 |
0.011 |
| 78 |
80 |
|
D |
6 |
4 |
16009 |
◊ |
A |
-x+5/2,-y+1,z-1/2 |
2_764 |
4 |
2 |
15668 |
16.2 |
0.1 |
0.544 |
0 |
0 |
0 |
0.000 |
| 79 |
81 |
|
[GOL]C:306 |
3 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
16009 |
15.1 |
0.1 |
0.605 |
0 |
0 |
0 |
0.000 |
| 80 |
82 |
|
[EDO]B:302 |
2 |
1 |
186 |
◊ |
[SO4]B:305 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
185 |
11.5 |
-1.2 |
0.894 |
0 |
0 |
0 |
0.010 |
| 81 |
83 |
|
[EDO]D:305 |
2 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
16009 |
8.4 |
0.4 |
0.954 |
0 |
0 |
0 |
0.000 |
| 82 |
84 |
|
[EDO]B:313 |
3 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
15756 |
7.9 |
0.3 |
0.885 |
0 |
0 |
0 |
0.000 |
| 83 |
85 |
|
[EDO]B:310 |
1 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
15756 |
6.7 |
-0.0 |
0.536 |
0 |
0 |
0 |
0.000 |
| 84 |
86 |
|
C |
2 |
1 |
15504 |
f |
[EDO]D:304 |
x,y-1,z |
1_545 |
1 |
1 |
185 |
5.2 |
-0.0 |
0.664 |
0 |
0 |
0 |
0.000 |
| 85 |
87 |
|
[SO4]D:303 |
1 |
1 |
184 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
1 |
1 |
15756 |
4.8 |
-0.7 |
0.519 |
0 |
0 |
0 |
0.000 |
| 86 |
88 |
|
[EDO]B:302 |
1 |
1 |
186 |
f |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
15756 |
4.4 |
0.2 |
0.905 |
0 |
0 |
0 |
0.000 |
| 87 |
89 |
|
[EDO]A:301 |
1 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
15504 |
4.3 |
0.1 |
0.873 |
0 |
0 |
0 |
0.000 |
| 88 |
90 |
|
[SO4]B:307 |
1 |
1 |
186 |
◊ |
D |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
16009 |
2.5 |
-0.4 |
0.647 |
0 |
0 |
0 |
0.000 |
| 89 |
91 |
|
[EDO]A:302 |
1 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
15756 |
2.4 |
0.1 |
0.830 |
0 |
0 |
0 |
0.000 |
| 90 |
92 |
|
C |
1 |
1 |
15504 |
f |
[EDO]B:312 |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
182 |
2.0 |
0.1 |
0.871 |
0 |
0 |
0 |
0.000 |
| 91 |
93 |
|
A |
1 |
1 |
15668 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
16009 |
0.9 |
-0.0 |
0.509 |
0 |
0 |
0 |
0.000 |
| 92 |
94 |
|
[EDO]A:304 |
1 |
1 |
184 |
f |
D |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
16009 |
0.3 |
0.0 |
0.807 |
0 |
0 |
0 |
0.000 |
|