## |
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 |
|
C |
90 |
23 |
14939 |
◊ |
A |
x,y,z |
1_555 |
94 |
24 |
15267 |
832.2 |
-1.2 |
0.640 |
13 |
17 |
0 |
0.000 |
2 |
|
D |
97 |
23 |
14584 |
◊ |
B |
x,y,z |
1_555 |
94 |
24 |
14823 |
787.4 |
-1.0 |
0.667 |
11 |
15 |
0 |
0.000 |
Average: |
809.8 |
-1.1 |
0.654 |
12 |
16 |
0 |
0.000 |
2 |
3 |
|
B |
78 |
23 |
14823 |
◊ |
A |
x,y,z |
1_555 |
77 |
22 |
15267 |
762.0 |
-1.9 |
0.580 |
15 |
9 |
0 |
0.000 |
4 |
|
D |
63 |
21 |
14584 |
◊ |
C |
x,y,z |
1_555 |
63 |
20 |
14939 |
624.1 |
1.2 |
0.747 |
11 |
6 |
0 |
0.000 |
Average: |
693.0 |
-0.3 |
0.664 |
13 |
8 |
0 |
0.000 |
3 |
5 |
|
D |
51 |
17 |
14584 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
47 |
13 |
15267 |
459.1 |
-4.3 |
0.267 |
3 |
2 |
0 |
0.000 |
4 |
6 |
|
[JN7]D:1 |
30 |
1 |
676 |
f |
D |
x,y,z |
1_555 |
61 |
20 |
14584 |
451.5 |
-6.4 |
0.127 |
1 |
0 |
0 |
0.012 |
7 |
|
[JN7]C:1 |
30 |
1 |
668 |
f |
C |
x,y,z |
1_555 |
55 |
18 |
14939 |
431.2 |
-7.0 |
0.142 |
1 |
0 |
0 |
0.012 |
Average: |
441.3 |
-6.7 |
0.135 |
1 |
0 |
0 |
0.012 |
5 |
8 |
|
[JN7]A:18 |
30 |
1 |
674 |
f |
A |
x,y,z |
1_555 |
56 |
21 |
15267 |
419.0 |
-5.3 |
0.218 |
2 |
0 |
0 |
0.009 |
9 |
|
[JN7]B:1 |
29 |
1 |
676 |
f |
B |
x,y,z |
1_555 |
58 |
20 |
14823 |
417.3 |
-6.2 |
0.171 |
1 |
0 |
0 |
0.009 |
Average: |
418.1 |
-5.8 |
0.195 |
2 |
0 |
0 |
0.009 |
6 |
10 |
|
C |
31 |
10 |
14939 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
42 |
15 |
14823 |
353.5 |
-0.6 |
0.598 |
1 |
1 |
0 |
0.000 |
7 |
11 |
|
C |
43 |
14 |
14939 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
29 |
9 |
15267 |
303.3 |
-1.6 |
0.478 |
5 |
1 |
0 |
0.000 |
8 |
12 |
|
D |
24 |
8 |
14584 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
29 |
8 |
14939 |
240.9 |
-0.8 |
0.556 |
5 |
0 |
0 |
0.000 |
9 |
13 |
|
B |
28 |
8 |
14823 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
25 |
7 |
15267 |
238.4 |
-0.7 |
0.474 |
4 |
0 |
0 |
0.000 |
10 |
14 |
|
D |
19 |
5 |
14584 |
◊ |
A |
x,y,z |
1_555 |
19 |
5 |
15267 |
179.3 |
2.5 |
0.893 |
6 |
10 |
0 |
0.000 |
11 |
15 |
|
C |
19 |
7 |
14939 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
14823 |
154.4 |
1.8 |
0.842 |
0 |
2 |
0 |
0.000 |
12 |
16 |
|
[PEG]D:5 |
7 |
1 |
260 |
f |
D |
x,y,z |
1_555 |
21 |
6 |
14584 |
129.5 |
3.0 |
0.328 |
3 |
0 |
0 |
0.000 |
13 |
17 |
|
[PEG]A:12 |
7 |
1 |
253 |
◊ |
A |
x,y,z |
1_555 |
23 |
7 |
15267 |
127.2 |
1.9 |
0.246 |
1 |
0 |
0 |
0.000 |
14 |
18 |
|
[DMS]C:7 |
4 |
1 |
215 |
◊ |
C |
x,y,z |
1_555 |
19 |
7 |
14939 |
124.6 |
2.9 |
0.540 |
1 |
0 |
0 |
0.000 |
15 |
19 |
|
[DMS]D:14 |
4 |
1 |
214 |
f |
D |
x,y,z |
1_555 |
20 |
10 |
14584 |
122.8 |
2.9 |
0.558 |
1 |
0 |
0 |
0.000 |
16 |
20 |
|
[EDO]A:7 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
15267 |
119.1 |
4.2 |
0.713 |
4 |
0 |
0 |
0.000 |
17 |
21 |
|
[EDO]A:5 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
15267 |
113.6 |
2.9 |
0.410 |
2 |
0 |
0 |
0.000 |
18 |
22 |
|
[EDO]B:8 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
14823 |
113.4 |
3.8 |
0.666 |
4 |
0 |
0 |
0.000 |
19 |
23 |
|
[EDO]D:8 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
14584 |
113.3 |
3.6 |
0.488 |
3 |
0 |
0 |
0.000 |
20 |
24 |
|
[EDO]A:11 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
15267 |
109.6 |
3.2 |
0.366 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[EDO]D:12 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
20 |
7 |
14584 |
107.7 |
2.8 |
0.443 |
2 |
0 |
0 |
0.000 |
22 |
26 |
|
[EDO]D:4 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
19 |
10 |
14584 |
107.5 |
3.2 |
0.431 |
3 |
0 |
0 |
0.000 |
23 |
27 |
|
[EDO]A:14 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
15267 |
102.2 |
2.7 |
0.420 |
1 |
0 |
0 |
0.000 |
24 |
28 |
|
[PO4]C:6 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
14939 |
100.8 |
-7.6 |
0.615 |
4 |
0 |
0 |
0.010 |
25 |
29 |
|
[PO4]B:4 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
14823 |
99.6 |
-7.0 |
0.478 |
2 |
0 |
0 |
0.008 |
26 |
30 |
|
[EDO]C:440 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
17 |
7 |
14939 |
97.7 |
3.1 |
0.497 |
3 |
0 |
0 |
0.000 |
27 |
31 |
|
[EDO]D:2 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
14584 |
97.4 |
1.7 |
0.315 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
[EDO]D:15 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
14584 |
96.7 |
2.0 |
0.222 |
2 |
0 |
0 |
0.000 |
29 |
33 |
|
[EDO]D:3 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
14584 |
95.8 |
2.5 |
0.409 |
0 |
0 |
0 |
0.000 |
30 |
34 |
|
[EDO]D:13 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
14584 |
94.2 |
2.9 |
0.486 |
2 |
0 |
0 |
0.000 |
31 |
35 |
|
[EDO]A:15 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
15267 |
93.1 |
2.1 |
0.261 |
3 |
0 |
0 |
0.000 |
32 |
36 |
|
[EDO]A:16 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
15267 |
93.0 |
2.0 |
0.368 |
1 |
0 |
0 |
0.000 |
33 |
37 |
|
[EDO]C:2 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
13 |
7 |
14939 |
92.7 |
2.3 |
0.261 |
2 |
0 |
0 |
0.000 |
34 |
38 |
|
[EDO]A:1 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
15267 |
91.2 |
2.3 |
0.428 |
2 |
0 |
0 |
0.000 |
35 |
39 |
|
[EDO]D:9 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
14584 |
89.8 |
2.3 |
0.277 |
3 |
0 |
0 |
0.000 |
36 |
40 |
|
[EDO]C:3 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
14939 |
88.1 |
3.0 |
0.521 |
1 |
0 |
0 |
0.000 |
37 |
41 |
|
[EDO]A:6 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
15267 |
87.4 |
2.5 |
0.486 |
1 |
0 |
0 |
0.000 |
38 |
42 |
|
[EDO]A:8 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
15267 |
84.0 |
2.5 |
0.300 |
3 |
0 |
0 |
0.000 |
39 |
43 |
|
[EDO]D:10 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
14584 |
82.7 |
2.4 |
0.274 |
1 |
0 |
0 |
0.000 |
40 |
44 |
|
[EDO]D:441 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
14584 |
78.8 |
1.5 |
0.217 |
1 |
0 |
0 |
0.000 |
41 |
45 |
|
[EDO]A:440 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
13 |
10 |
14939 |
78.0 |
2.0 |
0.247 |
1 |
0 |
0 |
0.000 |
42 |
46 |
|
[EDO]A:9 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
15267 |
75.4 |
2.1 |
0.334 |
0 |
0 |
0 |
0.000 |
43 |
47 |
|
[PEG]D:5 |
5 |
1 |
260 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
14939 |
72.6 |
2.5 |
0.444 |
0 |
0 |
0 |
0.000 |
44 |
48 |
|
[EDO]A:17 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
15267 |
70.7 |
1.1 |
0.626 |
3 |
0 |
0 |
0.000 |
45 |
49 |
|
[EDO]A:13 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
15267 |
70.6 |
1.7 |
0.433 |
3 |
0 |
0 |
0.000 |
46 |
50 |
|
[EDO]B:6 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
14823 |
70.3 |
1.6 |
0.238 |
0 |
0 |
0 |
0.000 |
47 |
51 |
|
[EDO]D:11 |
4 |
1 |
184 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
10 |
5 |
15267 |
69.1 |
2.0 |
0.257 |
0 |
0 |
0 |
0.000 |
48 |
52 |
|
[EDO]D:7 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
14584 |
68.7 |
1.8 |
0.451 |
3 |
0 |
0 |
0.000 |
49 |
53 |
|
D |
10 |
3 |
14584 |
f |
[EDO]A:6 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
184 |
66.6 |
1.3 |
0.194 |
0 |
0 |
0 |
0.000 |
50 |
54 |
|
[EDO]A:13 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
14939 |
62.9 |
1.8 |
0.442 |
0 |
0 |
0 |
0.000 |
51 |
55 |
|
[ZN]C:4 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
14939 |
60.8 |
-32.5 |
0.000 |
0 |
0 |
0 |
0.058 |
56 |
|
[ZN]A:4 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
15267 |
60.5 |
-32.2 |
0.000 |
0 |
0 |
0 |
0.058 |
57 |
|
[ZN]D:6 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
14584 |
60.4 |
-33.1 |
0.000 |
0 |
0 |
0 |
0.058 |
58 |
|
[ZN]B:2 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
14823 |
47.2 |
-24.2 |
0.000 |
0 |
0 |
0 |
0.058 |
Average: |
57.2 |
-30.5 |
0.000 |
0 |
0 |
0 |
0.058 |
52 |
59 |
|
[EDO]A:440 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
15267 |
60.5 |
2.0 |
0.899 |
2 |
0 |
0 |
0.000 |
53 |
60 |
|
B |
7 |
2 |
14823 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
10 |
4 |
14823 |
56.5 |
0.0 |
0.628 |
0 |
0 |
0 |
0.000 |
54 |
61 |
|
[EDO]D:7 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
14823 |
56.2 |
1.3 |
0.253 |
1 |
0 |
0 |
0.000 |
55 |
62 |
|
D |
10 |
4 |
14584 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
3 |
2 |
14823 |
55.2 |
-0.6 |
0.404 |
1 |
0 |
0 |
0.000 |
56 |
63 |
|
[EDO]C:3 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
14584 |
54.3 |
1.0 |
0.750 |
1 |
0 |
0 |
0.000 |
57 |
64 |
|
D |
4 |
1 |
14584 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
9 |
3 |
14823 |
53.6 |
-0.7 |
0.354 |
0 |
0 |
0 |
0.000 |
58 |
65 |
|
[EDO]C:440 |
4 |
1 |
183 |
f |
B |
x-1/2,-y-1/2,-z |
4_445 |
5 |
2 |
14823 |
50.4 |
0.8 |
0.432 |
0 |
0 |
0 |
0.000 |
59 |
66 |
|
[ZN]C:5 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
14939 |
46.9 |
-33.1 |
0.000 |
0 |
0 |
0 |
0.060 |
67 |
|
[ZN]A:3 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
15267 |
46.6 |
-33.8 |
0.000 |
0 |
0 |
0 |
0.060 |
68 |
|
[ZN]D:440 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
14584 |
46.0 |
-34.0 |
0.000 |
0 |
0 |
0 |
0.060 |
69 |
|
[ZN]B:3 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
14823 |
36.7 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.060 |
Average: |
44.1 |
-32.0 |
0.000 |
0 |
0 |
0 |
0.060 |
60 |
70 |
|
D |
3 |
1 |
14584 |
f |
[EDO]A:9 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
185 |
45.9 |
1.4 |
0.949 |
1 |
0 |
0 |
0.000 |
61 |
71 |
|
[EDO]D:11 |
3 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
14584 |
44.9 |
1.3 |
0.924 |
3 |
0 |
0 |
0.000 |
62 |
72 |
|
[EDO]B:6 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
14584 |
43.8 |
0.4 |
0.409 |
0 |
0 |
0 |
0.000 |
63 |
73 |
|
[EDO]A:8 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
14823 |
42.6 |
1.4 |
0.818 |
0 |
0 |
0 |
0.000 |
64 |
74 |
|
[EDO]D:9 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
14823 |
40.1 |
1.5 |
0.939 |
1 |
0 |
0 |
0.000 |
65 |
75 |
|
[EDO]A:9 |
4 |
1 |
185 |
f |
[EDO]A:1 |
x,y,z |
1_555 |
3 |
1 |
187 |
31.4 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
66 |
76 |
|
[EDO]D:11 |
2 |
1 |
184 |
◊ |
[EDO]A:15 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
186 |
31.1 |
2.0 |
0.707 |
0 |
0 |
0 |
0.000 |
67 |
77 |
|
[PO4]B:4 |
3 |
1 |
189 |
f |
[JN7]B:1 |
x,y,z |
1_555 |
5 |
1 |
676 |
29.7 |
-2.5 |
0.527 |
0 |
0 |
0 |
0.003 |
68 |
78 |
|
[EDO]D:441 |
2 |
1 |
184 |
f |
[EDO]D:4 |
x,y,z |
1_555 |
2 |
1 |
184 |
29.5 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
69 |
79 |
|
[EDO]D:7 |
2 |
1 |
185 |
◊ |
[EDO]B:6 |
x,y,z |
1_555 |
3 |
1 |
187 |
28.2 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
70 |
80 |
|
[DMS]C:7 |
1 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
15267 |
26.1 |
1.4 |
0.649 |
0 |
0 |
0 |
0.000 |
71 |
81 |
|
[EDO]A:16 |
2 |
1 |
183 |
f |
[EDO]A:1 |
x,y,z |
1_555 |
2 |
1 |
187 |
24.8 |
0.8 |
1.000 |
1 |
0 |
0 |
0.000 |
72 |
82 |
|
C |
3 |
1 |
14939 |
◊ |
[EDO]A:17 |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
184 |
24.5 |
0.0 |
0.477 |
0 |
0 |
0 |
0.000 |
73 |
83 |
|
[PO4]B:4 |
4 |
1 |
189 |
f |
[ZN]B:2 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.1 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.012 |
74 |
84 |
|
[EDO]C:2 |
2 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
15267 |
22.3 |
0.7 |
0.905 |
1 |
0 |
0 |
0.000 |
75 |
85 |
|
[PO4]B:4 |
3 |
1 |
189 |
f |
[ZN]B:3 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.2 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.010 |
76 |
86 |
|
D |
4 |
2 |
14584 |
f |
[PEG]A:12 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
253 |
19.6 |
0.8 |
0.364 |
0 |
0 |
0 |
0.000 |
77 |
87 |
|
[EDO]B:6 |
2 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
15267 |
17.9 |
0.1 |
0.651 |
0 |
0 |
0 |
0.000 |
78 |
88 |
|
D |
3 |
1 |
14584 |
◊ |
[EDO]B:6 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
187 |
15.6 |
0.4 |
0.881 |
0 |
0 |
0 |
0.000 |
79 |
89 |
|
[EDO]A:440 |
2 |
1 |
186 |
f |
[EDO]A:13 |
x,y,z |
1_555 |
2 |
1 |
184 |
15.4 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
80 |
90 |
|
[ZN]A:4 |
1 |
1 |
98 |
f |
[ZN]A:3 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.017 |
81 |
91 |
|
[ZN]D:6 |
1 |
1 |
98 |
f |
[ZN]D:440 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.0 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.021 |
82 |
92 |
|
[ZN]C:5 |
1 |
1 |
98 |
f |
[ZN]C:4 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.0 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.013 |
83 |
93 |
|
[ZN]B:3 |
1 |
1 |
98 |
f |
[ZN]B:2 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.8 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.009 |
84 |
94 |
|
[EDO]A:9 |
2 |
1 |
185 |
f |
[EDO]A:16 |
x,y,z |
1_555 |
1 |
1 |
183 |
10.2 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
85 |
95 |
|
[PEG]D:5 |
1 |
1 |
260 |
f |
[EDO]D:10 |
x,y,z |
1_555 |
2 |
1 |
185 |
9.8 |
-0.0 |
0.378 |
0 |
0 |
0 |
0.000 |
86 |
96 |
|
D |
2 |
1 |
14584 |
◊ |
[EDO]A:15 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
186 |
8.4 |
0.1 |
0.789 |
0 |
0 |
0 |
0.000 |
87 |
97 |
|
D |
1 |
1 |
14584 |
x |
D |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
14584 |
4.1 |
-0.0 |
0.534 |
0 |
0 |
0 |
0.000 |
88 |
98 |
|
[DMS]D:14 |
1 |
1 |
214 |
f |
[EDO]D:9 |
x,y,z |
1_555 |
1 |
1 |
185 |
3.7 |
0.2 |
0.500 |
0 |
0 |
0 |
0.000 |
|