| ## |
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 |
30 |
6 |
1397 |
◊ |
H |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
30 |
6 |
1402 |
215.8 |
-4.1 |
0.752 |
0 |
0 |
0 |
0.060 |
| 2 |
2 |
|
H |
26 |
8 |
1402 |
◊ |
G |
x,y,z |
1_555 |
25 |
7 |
1319 |
197.8 |
-1.9 |
0.848 |
6 |
0 |
0 |
0.113 |
3 |
|
F |
25 |
7 |
1315 |
◊ |
E |
x,y,z |
1_555 |
25 |
8 |
1397 |
196.6 |
-1.8 |
0.852 |
6 |
0 |
0 |
0.113 |
| Average: |
197.2 |
-1.8 |
0.850 |
6 |
0 |
0 |
0.113 |
| 3 |
4 |
|
F |
25 |
6 |
1315 |
◊ |
B |
x,y,z |
1_555 |
26 |
5 |
1286 |
195.8 |
-5.0 |
0.567 |
0 |
0 |
0 |
0.327 |
5 |
|
G |
24 |
6 |
1319 |
◊ |
D |
x,y,z |
1_555 |
20 |
5 |
1221 |
195.3 |
-5.1 |
0.424 |
0 |
0 |
0 |
0.327 |
| Average: |
195.6 |
-5.0 |
0.496 |
0 |
0 |
0 |
0.327 |
| 4 |
6 |
|
B |
26 |
7 |
1286 |
◊ |
A |
x,y,z |
1_555 |
25 |
7 |
1288 |
187.6 |
-2.3 |
0.806 |
5 |
0 |
0 |
0.067 |
7 |
|
D |
25 |
7 |
1221 |
◊ |
C |
x,y,z |
1_555 |
24 |
7 |
1282 |
168.1 |
-1.8 |
0.801 |
4 |
0 |
0 |
0.067 |
| Average: |
177.8 |
-2.1 |
0.803 |
5 |
0 |
0 |
0.067 |
| 5 |
8 |
|
[HAO]B:7 |
17 |
1 |
419 |
cf |
B |
x,y,z |
1_555 |
18 |
6 |
1286 |
177.2 |
-0.4 |
0.808 |
4 |
0 |
0 |
0.152 |
9 |
|
[HAO]D:7 |
17 |
1 |
416 |
cf |
D |
x,y,z |
1_555 |
16 |
6 |
1221 |
175.1 |
-0.2 |
0.799 |
4 |
0 |
0 |
0.152 |
10 |
|
[HAO]C:7 |
16 |
1 |
416 |
cf |
C |
x,y,z |
1_555 |
16 |
6 |
1282 |
165.4 |
-0.4 |
0.801 |
4 |
0 |
0 |
0.152 |
11 |
|
[HAO]A:7 |
17 |
1 |
416 |
cf |
A |
x,y,z |
1_555 |
16 |
6 |
1288 |
150.0 |
-0.1 |
0.813 |
4 |
0 |
0 |
0.152 |
12 |
|
[HAO]H:7 |
17 |
1 |
414 |
cf |
H |
x,y,z |
1_555 |
22 |
8 |
1402 |
141.2 |
-0.4 |
0.834 |
4 |
0 |
0 |
0.152 |
13 |
|
[HAO]E:7 |
17 |
1 |
417 |
cf |
E |
x,y,z |
1_555 |
21 |
7 |
1397 |
139.1 |
-0.4 |
0.830 |
4 |
0 |
0 |
0.152 |
| Average: |
158.0 |
-0.3 |
0.814 |
4 |
0 |
0 |
0.152 |
| 6 |
14 |
|
D |
23 |
6 |
1221 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
1288 |
175.0 |
-3.2 |
0.664 |
0 |
0 |
0 |
0.126 |
| 7 |
15 |
|
C |
17 |
5 |
1282 |
◊ |
B |
x,y,z |
1_555 |
21 |
4 |
1286 |
162.0 |
-2.2 |
0.714 |
0 |
0 |
0 |
0.017 |
| 8 |
16 |
|
H |
13 |
4 |
1402 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
1282 |
127.3 |
-3.1 |
0.462 |
0 |
0 |
0 |
0.056 |
17 |
|
E |
13 |
4 |
1397 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
1288 |
127.1 |
-3.0 |
0.508 |
0 |
0 |
0 |
0.056 |
| Average: |
127.2 |
-3.1 |
0.485 |
0 |
0 |
0 |
0.056 |
| 9 |
18 |
|
[HAO]F:7 |
15 |
1 |
417 |
cf |
F |
x,y,z |
1_555 |
17 |
6 |
1315 |
123.3 |
-0.4 |
0.812 |
4 |
0 |
0 |
0.143 |
19 |
|
[HAO]G:7 |
15 |
1 |
415 |
cf |
G |
x,y,z |
1_555 |
16 |
6 |
1319 |
121.6 |
-0.2 |
0.802 |
4 |
0 |
0 |
0.143 |
| Average: |
122.5 |
-0.3 |
0.807 |
4 |
0 |
0 |
0.143 |
| 10 |
20 |
|
C |
17 |
6 |
1282 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
1288 |
116.9 |
-3.5 |
0.480 |
0 |
0 |
0 |
0.132 |
| 11 |
21 |
|
[HAO]A:7 |
15 |
1 |
416 |
◊ |
D |
x,y,z |
1_555 |
15 |
3 |
1221 |
110.3 |
-1.3 |
0.709 |
1 |
0 |
0 |
0.069 |
| 12 |
22 |
|
[BU1]E:16 |
6 |
1 |
237 |
◊ |
E |
x,y,z |
1_555 |
13 |
3 |
1397 |
87.0 |
0.5 |
0.481 |
1 |
0 |
0 |
0.000 |
| 13 |
23 |
|
[BU1]H:13 |
6 |
1 |
237 |
◊ |
H |
x,y,z |
1_555 |
13 |
3 |
1402 |
84.2 |
0.6 |
0.471 |
1 |
0 |
0 |
0.000 |
| 14 |
24 |
|
[HAO]E:7 |
15 |
1 |
417 |
◊ |
[HAO]H:7 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
15 |
1 |
414 |
78.9 |
-0.3 |
0.740 |
2 |
0 |
0 |
0.017 |
| 15 |
25 |
|
[HAO]E:7 |
14 |
1 |
417 |
◊ |
H |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
11 |
4 |
1402 |
77.7 |
-1.5 |
0.671 |
0 |
0 |
0 |
0.043 |
26 |
|
E |
11 |
4 |
1397 |
◊ |
[HAO]H:7 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
13 |
1 |
414 |
76.9 |
-1.5 |
0.661 |
0 |
0 |
0 |
0.043 |
| Average: |
77.3 |
-1.5 |
0.666 |
0 |
0 |
0 |
0.043 |
| 16 |
27 |
|
[GOL]B:23 |
6 |
1 |
222 |
f |
C |
x,y,z |
1_555 |
13 |
3 |
1282 |
77.0 |
0.8 |
0.735 |
3 |
0 |
0 |
0.018 |
| 17 |
28 |
|
[GOL]C:22 |
6 |
1 |
222 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
1288 |
73.0 |
-0.4 |
0.658 |
1 |
0 |
0 |
0.031 |
| 18 |
29 |
|
E |
7 |
2 |
1397 |
◊ |
G |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
10 |
2 |
1319 |
66.9 |
-2.0 |
0.424 |
0 |
0 |
0 |
0.050 |
30 |
|
F |
10 |
2 |
1315 |
◊ |
H |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
7 |
2 |
1402 |
65.2 |
-2.0 |
0.424 |
0 |
0 |
0 |
0.050 |
| Average: |
66.0 |
-2.0 |
0.424 |
0 |
0 |
0 |
0.050 |
| 19 |
31 |
|
[BU1]C:18 |
6 |
1 |
240 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
1282 |
66.5 |
1.0 |
0.453 |
0 |
0 |
0 |
0.000 |
| 20 |
32 |
|
[GOL]C:22 |
4 |
1 |
222 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
1282 |
64.2 |
-0.6 |
0.619 |
1 |
0 |
0 |
0.038 |
| 21 |
33 |
|
[BU1]F:17 |
6 |
1 |
240 |
f |
F |
x,y,z |
1_555 |
10 |
3 |
1315 |
62.2 |
-0.1 |
0.420 |
1 |
0 |
0 |
0.035 |
| 22 |
34 |
|
[GOL]B:11 |
4 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
1286 |
61.9 |
0.3 |
0.730 |
3 |
0 |
0 |
0.070 |
| 23 |
35 |
|
[BU1]B:12 |
6 |
1 |
240 |
◊ |
[HAO]C:7 |
x,y,z |
1_555 |
15 |
1 |
416 |
61.6 |
1.6 |
0.499 |
0 |
0 |
0 |
0.000 |
| 24 |
36 |
|
[BU1]B:12 |
6 |
1 |
240 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
1286 |
61.3 |
0.5 |
0.461 |
2 |
0 |
0 |
0.023 |
| 25 |
37 |
|
[BU1]F:13 |
6 |
1 |
239 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
1315 |
59.9 |
1.1 |
0.462 |
0 |
0 |
0 |
0.000 |
| 26 |
38 |
|
[GOL]D:11 |
6 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
1221 |
58.1 |
0.2 |
0.703 |
4 |
0 |
0 |
0.060 |
| 27 |
39 |
|
[BU1]G:14 |
4 |
1 |
240 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
1319 |
57.7 |
1.7 |
0.632 |
1 |
0 |
0 |
0.000 |
| 28 |
40 |
|
[BU1]B:12 |
6 |
1 |
240 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
1282 |
57.4 |
0.5 |
0.409 |
0 |
0 |
0 |
0.000 |
| 29 |
41 |
|
[BU1]G:14 |
5 |
1 |
240 |
◊ |
G |
y,x,-z |
7_555 |
6 |
2 |
1319 |
56.4 |
0.1 |
0.406 |
1 |
0 |
0 |
0.008 |
| 30 |
42 |
|
[SO4]H:11 |
4 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
4 |
1 |
1402 |
51.9 |
-6.5 |
0.839 |
1 |
0 |
0 |
0.233 |
| 31 |
43 |
|
[BU1]H:15 |
6 |
1 |
241 |
f |
[BU1]H:15 |
y,x,-z |
7_555 |
6 |
1 |
241 |
50.9 |
0.0 |
0.176 |
0 |
0 |
0 |
0.000 |
| 32 |
44 |
|
[SO4]E:11 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
4 |
1 |
1397 |
50.9 |
-6.4 |
0.832 |
1 |
0 |
0 |
0.169 |
| 33 |
45 |
|
[HAO]F:7 |
13 |
1 |
417 |
◊ |
[HAO]B:7 |
x,y,z |
1_555 |
9 |
1 |
419 |
50.0 |
-1.0 |
0.652 |
0 |
0 |
0 |
0.067 |
46 |
|
[HAO]G:7 |
13 |
1 |
415 |
◊ |
[HAO]D:7 |
x,y,z |
1_555 |
9 |
1 |
416 |
49.2 |
-0.9 |
0.642 |
0 |
0 |
0 |
0.067 |
| Average: |
49.6 |
-1.0 |
0.647 |
0 |
0 |
0 |
0.067 |
| 34 |
47 |
|
[HAO]C:7 |
11 |
1 |
416 |
◊ |
H |
x,y,z |
1_555 |
6 |
1 |
1402 |
49.4 |
-1.4 |
0.542 |
0 |
0 |
0 |
0.026 |
48 |
|
[HAO]A:7 |
11 |
1 |
416 |
◊ |
E |
x,y,z |
1_555 |
6 |
1 |
1397 |
47.6 |
-1.4 |
0.528 |
0 |
0 |
0 |
0.026 |
| Average: |
48.5 |
-1.4 |
0.535 |
0 |
0 |
0 |
0.026 |
| 35 |
49 |
|
H |
8 |
3 |
1402 |
◊ |
[BU1]F:17 |
-y+1/2,x+1/2,z-1/4 |
3_554 |
3 |
1 |
240 |
49.3 |
0.7 |
0.548 |
1 |
0 |
0 |
0.000 |
| 36 |
50 |
|
[SO4]E:12 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
5 |
2 |
1397 |
48.6 |
-5.8 |
0.851 |
2 |
0 |
0 |
0.166 |
| 37 |
51 |
|
[SO4]H:12 |
4 |
1 |
187 |
f |
H |
x,y,z |
1_555 |
5 |
2 |
1402 |
47.9 |
-5.6 |
0.857 |
2 |
0 |
0 |
0.219 |
| 38 |
52 |
|
[BU1]G:12 |
6 |
1 |
238 |
◊ |
[BU1]G:12 |
y,x,-z |
7_555 |
6 |
1 |
238 |
47.8 |
1.5 |
0.285 |
0 |
0 |
0 |
0.000 |
| 39 |
53 |
|
G |
8 |
3 |
1319 |
◊ |
[BU1]F:13 |
-y+1/2,x+1/2,z-1/4 |
3_554 |
5 |
1 |
239 |
47.5 |
0.8 |
0.444 |
0 |
0 |
0 |
0.000 |
| 40 |
54 |
|
[BU1]H:15 |
5 |
1 |
241 |
◊ |
F |
-y+1/2,x+1/2,z-1/4 |
3_554 |
9 |
4 |
1315 |
46.3 |
0.5 |
0.476 |
0 |
0 |
0 |
0.000 |
| 41 |
55 |
|
F |
5 |
1 |
1315 |
◊ |
[BU1]H:20 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
4 |
1 |
238 |
46.2 |
1.3 |
0.648 |
0 |
0 |
0 |
0.000 |
| 42 |
56 |
|
G |
7 |
3 |
1319 |
◊ |
G |
y,x,-z |
7_555 |
6 |
3 |
1319 |
45.6 |
-1.4 |
0.431 |
0 |
0 |
0 |
0.015 |
57 |
|
F |
6 |
3 |
1315 |
◊ |
F |
-y,-x,-z+1/2 |
8_555 |
7 |
3 |
1315 |
44.2 |
-1.4 |
0.438 |
0 |
0 |
0 |
0.015 |
| Average: |
44.9 |
-1.4 |
0.435 |
0 |
0 |
0 |
0.015 |
| 43 |
58 |
|
[SO4]H:11 |
4 |
1 |
186 |
◊ |
F |
-y+1/2,x+1/2,z-1/4 |
3_554 |
4 |
1 |
1315 |
45.4 |
-5.3 |
0.860 |
1 |
0 |
0 |
0.193 |
| 44 |
59 |
|
[GOL]B:23 |
4 |
1 |
222 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
1286 |
45.1 |
1.4 |
0.789 |
2 |
0 |
0 |
0.000 |
| 45 |
60 |
|
F |
9 |
4 |
1315 |
◊ |
[BU1]H:15 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
5 |
1 |
241 |
45.0 |
0.2 |
0.408 |
0 |
0 |
0 |
0.000 |
| 46 |
61 |
|
F |
6 |
2 |
1315 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
1288 |
44.6 |
-1.1 |
0.603 |
0 |
0 |
0 |
0.018 |
62 |
|
G |
6 |
2 |
1319 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
1282 |
44.6 |
-1.1 |
0.611 |
0 |
0 |
0 |
0.018 |
| Average: |
44.6 |
-1.1 |
0.607 |
0 |
0 |
0 |
0.018 |
| 47 |
63 |
|
G |
4 |
1 |
1319 |
◊ |
[SO4]E:11 |
-y+1/2,x+1/2,z-1/4 |
3_554 |
4 |
1 |
186 |
44.5 |
-5.4 |
0.864 |
1 |
0 |
0 |
0.124 |
| 48 |
64 |
|
[BU1]G:12 |
6 |
1 |
238 |
◊ |
G |
y,x,-z |
7_555 |
9 |
4 |
1319 |
44.5 |
-0.1 |
0.411 |
0 |
0 |
0 |
0.002 |
| 49 |
65 |
|
[SO4]E:12 |
4 |
1 |
186 |
◊ |
H |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
5 |
1 |
1402 |
44.0 |
-6.0 |
0.895 |
1 |
0 |
0 |
0.094 |
| 50 |
66 |
|
[GOL]D:11 |
3 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
1282 |
43.9 |
-0.2 |
0.612 |
1 |
0 |
0 |
0.024 |
| 51 |
67 |
|
[GOL]D:11 |
4 |
1 |
218 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
1402 |
43.9 |
-1.3 |
0.349 |
0 |
0 |
0 |
0.010 |
| 52 |
68 |
|
E |
6 |
2 |
1397 |
◊ |
[SO4]H:12 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
4 |
1 |
187 |
43.6 |
-5.9 |
0.898 |
1 |
0 |
0 |
0.092 |
| 53 |
69 |
|
H |
9 |
3 |
1402 |
◊ |
[BU1]F:13 |
-y+1/2,x+1/2,z-1/4 |
3_554 |
4 |
1 |
239 |
43.4 |
1.1 |
0.630 |
0 |
0 |
0 |
0.000 |
| 54 |
70 |
|
[GOL]B:11 |
4 |
1 |
218 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
1397 |
43.2 |
-1.0 |
0.401 |
0 |
0 |
0 |
0.024 |
| 55 |
71 |
|
[BU1]G:12 |
6 |
1 |
238 |
◊ |
G |
x,y,z |
1_555 |
9 |
4 |
1319 |
42.8 |
0.3 |
0.436 |
0 |
0 |
0 |
0.000 |
| 56 |
72 |
|
[SO4]A:11 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
1288 |
42.7 |
-5.7 |
0.830 |
2 |
0 |
0 |
0.260 |
| 57 |
73 |
|
[HAO]F:7 |
8 |
1 |
417 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
1286 |
42.3 |
-0.3 |
0.709 |
0 |
0 |
0 |
0.019 |
74 |
|
[HAO]G:7 |
8 |
1 |
415 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
1221 |
40.1 |
-0.3 |
0.679 |
0 |
0 |
0 |
0.019 |
| Average: |
41.2 |
-0.3 |
0.694 |
0 |
0 |
0 |
0.019 |
| 58 |
75 |
|
[GOL]H:21 |
5 |
1 |
219 |
f |
H |
x,y,z |
1_555 |
9 |
3 |
1402 |
41.2 |
-0.6 |
0.539 |
1 |
0 |
0 |
0.035 |
| 59 |
76 |
|
[BU1]F:17 |
5 |
1 |
240 |
◊ |
F |
-y,-x,-z+1/2 |
8_555 |
6 |
2 |
1315 |
41.1 |
1.2 |
0.506 |
0 |
0 |
0 |
0.000 |
| 60 |
77 |
|
[HAO]G:7 |
6 |
1 |
415 |
◊ |
[HAO]G:7 |
y,x,-z |
7_555 |
6 |
1 |
415 |
41.1 |
-1.7 |
0.434 |
0 |
0 |
0 |
0.018 |
78 |
|
[HAO]F:7 |
6 |
1 |
417 |
◊ |
[HAO]F:7 |
-y,-x,-z+1/2 |
8_555 |
6 |
1 |
417 |
40.6 |
-1.7 |
0.461 |
0 |
0 |
0 |
0.018 |
| Average: |
40.8 |
-1.7 |
0.448 |
0 |
0 |
0 |
0.018 |
| 61 |
79 |
|
[HAO]E:7 |
11 |
1 |
417 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
1288 |
40.6 |
-0.7 |
0.613 |
0 |
0 |
0 |
0.014 |
80 |
|
[HAO]H:7 |
11 |
1 |
414 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
1282 |
39.0 |
-0.8 |
0.604 |
0 |
0 |
0 |
0.014 |
| Average: |
39.8 |
-0.7 |
0.609 |
0 |
0 |
0 |
0.014 |
| 62 |
81 |
|
[HAO]B:7 |
7 |
1 |
419 |
◊ |
F |
x,y,z |
1_555 |
5 |
1 |
1315 |
40.5 |
-0.9 |
0.539 |
0 |
0 |
0 |
0.059 |
82 |
|
[HAO]D:7 |
7 |
1 |
416 |
◊ |
G |
x,y,z |
1_555 |
5 |
1 |
1319 |
40.5 |
-0.8 |
0.538 |
0 |
0 |
0 |
0.059 |
| Average: |
40.5 |
-0.9 |
0.539 |
0 |
0 |
0 |
0.059 |
| 63 |
83 |
|
[HAO]G:7 |
10 |
1 |
415 |
◊ |
G |
y,x,-z |
7_555 |
4 |
1 |
1319 |
39.8 |
-0.7 |
0.622 |
0 |
0 |
0 |
0.015 |
84 |
|
[HAO]F:7 |
10 |
1 |
417 |
◊ |
F |
-y,-x,-z+1/2 |
8_555 |
4 |
1 |
1315 |
38.9 |
-0.7 |
0.627 |
0 |
0 |
0 |
0.015 |
| Average: |
39.3 |
-0.7 |
0.624 |
0 |
0 |
0 |
0.015 |
| 64 |
85 |
|
[SO4]G:11 |
4 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
5 |
1 |
1319 |
39.7 |
-5.5 |
0.887 |
2 |
0 |
0 |
0.297 |
| 65 |
86 |
|
[BU1]H:20 |
4 |
1 |
238 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
1402 |
39.4 |
1.4 |
0.672 |
0 |
0 |
0 |
0.000 |
| 66 |
87 |
|
A |
6 |
2 |
1288 |
◊ |
[SO4]H:12 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
4 |
1 |
187 |
39.1 |
-5.3 |
0.868 |
2 |
0 |
0 |
0.057 |
| 67 |
88 |
|
[SO4]A:11 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
1282 |
37.4 |
-5.0 |
0.841 |
0 |
0 |
0 |
0.187 |
| 68 |
89 |
|
[SO4]E:12 |
4 |
1 |
186 |
◊ |
C |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
6 |
2 |
1282 |
37.2 |
-5.2 |
0.883 |
1 |
0 |
0 |
0.051 |
| 69 |
90 |
|
[GOL]B:11 |
3 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
1288 |
37.1 |
0.4 |
0.793 |
1 |
0 |
0 |
0.001 |
| 70 |
91 |
|
[GOL]B:11 |
3 |
1 |
218 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
1315 |
37.1 |
-0.9 |
0.304 |
0 |
0 |
0 |
0.059 |
| 71 |
92 |
|
E |
7 |
3 |
1397 |
◊ |
[GOL]H:21 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
6 |
1 |
219 |
36.9 |
-0.8 |
0.480 |
0 |
0 |
0 |
0.012 |
| 72 |
93 |
|
[GOL]H:21 |
5 |
1 |
219 |
◊ |
G |
x,y,z |
1_555 |
11 |
3 |
1319 |
36.6 |
-0.3 |
0.683 |
0 |
0 |
0 |
0.004 |
| 73 |
94 |
|
[BU1]H:13 |
4 |
1 |
237 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
1282 |
36.6 |
0.8 |
0.485 |
0 |
0 |
0 |
0.000 |
| 74 |
95 |
|
[BU1]E:16 |
3 |
1 |
237 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
1288 |
34.3 |
0.8 |
0.449 |
0 |
0 |
0 |
0.000 |
| 75 |
96 |
|
E |
2 |
1 |
1397 |
◊ |
[SO4]G:11 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
3 |
1 |
186 |
34.2 |
-3.8 |
0.908 |
1 |
0 |
0 |
0.104 |
| 76 |
97 |
|
[BU1]G:14 |
2 |
1 |
240 |
f |
E |
-y+1/2,x+1/2,z-1/4 |
3_554 |
5 |
2 |
1397 |
34.0 |
-0.7 |
0.432 |
0 |
0 |
0 |
0.017 |
| 77 |
98 |
|
[SO4]A:11 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
1221 |
33.6 |
-3.6 |
0.918 |
1 |
0 |
0 |
0.158 |
| 78 |
99 |
|
[BU1]C:18 |
4 |
1 |
240 |
◊ |
[HAO]C:7 |
x,y,z |
1_555 |
4 |
1 |
416 |
33.0 |
-0.2 |
0.326 |
1 |
0 |
0 |
0.025 |
| 79 |
100 |
|
[BU1]H:13 |
4 |
1 |
237 |
f |
G |
x,y,z |
1_555 |
3 |
1 |
1319 |
32.7 |
0.7 |
0.467 |
0 |
0 |
0 |
0.000 |
| 80 |
101 |
|
[BU1]G:14 |
4 |
1 |
240 |
◊ |
[HAO]G:7 |
y,x,-z |
7_555 |
5 |
1 |
415 |
32.6 |
0.9 |
0.496 |
0 |
0 |
0 |
0.000 |
| 81 |
102 |
|
E |
6 |
2 |
1397 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
1286 |
31.2 |
-1.0 |
0.468 |
0 |
0 |
0 |
0.022 |
103 |
|
H |
5 |
2 |
1402 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
1221 |
29.1 |
-0.9 |
0.509 |
0 |
0 |
0 |
0.022 |
| Average: |
30.2 |
-0.9 |
0.488 |
0 |
0 |
0 |
0.022 |
| 82 |
104 |
|
[BU1]F:13 |
3 |
1 |
239 |
f |
E |
x,y,z |
1_555 |
6 |
2 |
1397 |
31.0 |
-0.9 |
0.266 |
1 |
0 |
0 |
0.033 |
| 83 |
105 |
|
[BU1]E:16 |
3 |
1 |
237 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
1315 |
31.0 |
-0.3 |
0.479 |
0 |
0 |
0 |
0.003 |
| 84 |
106 |
|
[GOL]D:11 |
4 |
1 |
218 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
1319 |
30.6 |
-0.7 |
0.401 |
0 |
0 |
0 |
0.005 |
| 85 |
107 |
|
[GOL]D:11 |
4 |
1 |
218 |
f |
[SO4]A:11 |
x,y,z |
1_555 |
4 |
1 |
187 |
29.7 |
-3.3 |
0.780 |
0 |
0 |
0 |
0.131 |
| 86 |
108 |
|
[SO4]H:11 |
3 |
1 |
186 |
◊ |
[BU1]F:13 |
-y+1/2,x+1/2,z-1/4 |
3_554 |
4 |
1 |
239 |
28.5 |
-3.5 |
0.530 |
1 |
0 |
0 |
0.049 |
| 87 |
109 |
|
[HAO]E:7 |
4 |
1 |
417 |
◊ |
[HAO]A:7 |
x,y,z |
1_555 |
6 |
1 |
416 |
27.9 |
-0.8 |
0.536 |
0 |
0 |
0 |
0.015 |
110 |
|
[HAO]H:7 |
4 |
1 |
414 |
◊ |
[HAO]C:7 |
x,y,z |
1_555 |
5 |
1 |
416 |
27.4 |
-0.8 |
0.526 |
0 |
0 |
0 |
0.015 |
| Average: |
27.7 |
-0.8 |
0.531 |
0 |
0 |
0 |
0.015 |
| 88 |
111 |
|
[BU1]H:15 |
4 |
1 |
241 |
◊ |
[HAO]F:7 |
-y+1/2,x+1/2,z-1/4 |
3_554 |
8 |
1 |
417 |
27.8 |
0.5 |
0.517 |
0 |
0 |
0 |
0.000 |
| 89 |
112 |
|
[HAO]F:7 |
9 |
1 |
417 |
◊ |
[BU1]H:15 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
3 |
1 |
241 |
27.2 |
0.5 |
0.538 |
0 |
0 |
0 |
0.000 |
| 90 |
113 |
|
[BU1]G:12 |
4 |
1 |
238 |
◊ |
[HAO]G:7 |
y,x,-z |
7_555 |
9 |
1 |
415 |
26.9 |
0.3 |
0.513 |
0 |
0 |
0 |
0.000 |
| 91 |
114 |
|
[BU1]G:12 |
3 |
1 |
238 |
◊ |
[HAO]G:7 |
x,y,z |
1_555 |
9 |
1 |
415 |
26.7 |
0.6 |
0.530 |
0 |
0 |
0 |
0.000 |
| 92 |
115 |
|
[BU1]H:13 |
2 |
1 |
237 |
f |
[SO4]G:11 |
x,y,z |
1_555 |
3 |
1 |
186 |
25.7 |
-2.8 |
0.575 |
0 |
0 |
0 |
0.128 |
| 93 |
116 |
|
E |
4 |
1 |
1397 |
◊ |
[BU1]H:13 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
2 |
1 |
237 |
22.0 |
0.1 |
0.470 |
0 |
0 |
0 |
0.000 |
| 94 |
117 |
|
[SO4]E:12 |
2 |
1 |
186 |
◊ |
[HAO]H:7 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
2 |
1 |
414 |
21.9 |
-3.5 |
0.652 |
0 |
0 |
0 |
0.051 |
| 95 |
118 |
|
[BU1]B:12 |
2 |
1 |
240 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
1288 |
21.6 |
-0.6 |
0.439 |
0 |
0 |
0 |
0.008 |
| 96 |
119 |
|
F |
7 |
3 |
1315 |
◊ |
[GOL]H:21 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
3 |
1 |
219 |
21.4 |
-0.3 |
0.574 |
0 |
0 |
0 |
0.003 |
| 97 |
120 |
|
[BU1]F:17 |
3 |
1 |
240 |
◊ |
[HAO]F:7 |
-y,-x,-z+1/2 |
8_555 |
4 |
1 |
417 |
21.4 |
0.3 |
0.470 |
0 |
0 |
0 |
0.000 |
| 98 |
121 |
|
[HAO]E:7 |
2 |
1 |
417 |
◊ |
[SO4]H:12 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
3 |
1 |
187 |
21.3 |
-3.3 |
0.609 |
0 |
0 |
0 |
0.049 |
| 99 |
122 |
|
[BU1]F:13 |
2 |
1 |
239 |
f |
[SO4]E:11 |
x,y,z |
1_555 |
4 |
1 |
186 |
20.7 |
-2.6 |
0.552 |
0 |
0 |
0 |
0.064 |
| 100 |
123 |
|
[BU1]H:15 |
5 |
1 |
241 |
f |
[BU1]G:19 |
y,x,-z |
7_555 |
6 |
1 |
234 |
20.0 |
-0.4 |
0.137 |
2 |
0 |
0 |
0.052 |
| 101 |
124 |
|
[BU1]H:15 |
5 |
1 |
241 |
f |
[BU1]G:19 |
x,y,z |
1_555 |
6 |
1 |
234 |
20.0 |
-0.3 |
0.137 |
2 |
0 |
0 |
0.049 |
| 102 |
125 |
|
[BU1]G:14 |
1 |
1 |
240 |
◊ |
[SO4]G:11 |
y,x,-z |
7_555 |
3 |
1 |
186 |
19.6 |
-3.4 |
0.407 |
1 |
0 |
0 |
0.095 |
| 103 |
126 |
|
[BU1]E:16 |
1 |
1 |
237 |
f |
H |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
5 |
1 |
1402 |
19.5 |
-1.3 |
0.362 |
0 |
0 |
0 |
0.042 |
| 104 |
127 |
|
[SO4]H:11 |
3 |
1 |
186 |
◊ |
[BU1]F:17 |
-y+1/2,x+1/2,z-1/4 |
3_554 |
2 |
1 |
240 |
19.3 |
-2.3 |
0.551 |
0 |
0 |
0 |
0.076 |
| 105 |
128 |
|
G |
3 |
2 |
1319 |
◊ |
E |
-y+1/2,x+1/2,z-1/4 |
3_554 |
3 |
1 |
1397 |
19.3 |
-0.6 |
0.471 |
0 |
0 |
0 |
0.017 |
129 |
|
H |
4 |
2 |
1402 |
◊ |
F |
-y+1/2,x+1/2,z-1/4 |
3_554 |
4 |
3 |
1315 |
17.3 |
-0.5 |
0.581 |
0 |
0 |
0 |
0.017 |
| Average: |
18.3 |
-0.6 |
0.526 |
0 |
0 |
0 |
0.017 |
| 106 |
130 |
|
[BU1]G:19 |
3 |
1 |
234 |
◊ |
[GOL]H:21 |
y,x,-z |
7_555 |
4 |
1 |
219 |
19.2 |
0.3 |
0.398 |
1 |
0 |
0 |
0.000 |
| 107 |
131 |
|
[BU1]G:19 |
3 |
1 |
234 |
◊ |
[GOL]H:21 |
x,y,z |
1_555 |
4 |
1 |
219 |
19.2 |
-0.2 |
0.330 |
1 |
0 |
0 |
0.000 |
| 108 |
132 |
|
[GOL]C:22 |
1 |
1 |
222 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
1221 |
19.1 |
0.0 |
0.495 |
0 |
0 |
0 |
0.000 |
| 109 |
133 |
|
[BU1]E:16 |
2 |
1 |
237 |
◊ |
[HAO]E:7 |
x,y,z |
1_555 |
4 |
1 |
417 |
18.6 |
0.5 |
0.461 |
1 |
0 |
0 |
0.000 |
| 110 |
134 |
|
[BU1]G:19 |
4 |
1 |
234 |
◊ |
G |
y,x,-z |
7_555 |
3 |
1 |
1319 |
18.1 |
0.3 |
0.372 |
0 |
0 |
0 |
0.000 |
| 111 |
135 |
|
[BU1]G:19 |
4 |
1 |
234 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
1319 |
17.9 |
0.1 |
0.306 |
0 |
0 |
0 |
0.000 |
| 112 |
136 |
|
F |
3 |
1 |
1315 |
◊ |
[BU1]G:19 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
4 |
1 |
234 |
17.8 |
0.2 |
0.375 |
0 |
0 |
0 |
0.000 |
| 113 |
137 |
|
[BU1]F:17 |
2 |
1 |
240 |
◊ |
[BU1]F:13 |
x,y,z |
1_555 |
2 |
1 |
239 |
17.7 |
0.5 |
0.306 |
1 |
0 |
0 |
0.000 |
| 114 |
138 |
|
[SO4]E:11 |
1 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
1315 |
17.7 |
-2.1 |
0.815 |
0 |
0 |
0 |
0.048 |
| 115 |
139 |
|
[SO4]H:11 |
1 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
1319 |
17.7 |
-2.0 |
0.815 |
0 |
0 |
0 |
0.033 |
| 116 |
140 |
|
B |
2 |
1 |
1286 |
◊ |
[BU1]H:20 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
2 |
1 |
238 |
17.7 |
0.1 |
0.378 |
0 |
0 |
0 |
0.000 |
| 117 |
141 |
|
[BU1]G:19 |
4 |
1 |
234 |
◊ |
F |
-y+1/2,x+1/2,z-1/4 |
3_554 |
3 |
1 |
1315 |
17.6 |
0.1 |
0.310 |
0 |
0 |
0 |
0.000 |
| 118 |
142 |
|
[BU1]G:19 |
4 |
1 |
234 |
◊ |
[BU1]G:12 |
x,y,z |
1_555 |
5 |
1 |
238 |
17.4 |
0.9 |
0.273 |
0 |
0 |
0 |
0.000 |
| 119 |
143 |
|
[BU1]G:19 |
4 |
1 |
234 |
◊ |
[BU1]G:12 |
y,x,-z |
7_555 |
5 |
1 |
238 |
17.4 |
0.9 |
0.273 |
0 |
0 |
0 |
0.000 |
| 120 |
144 |
|
A |
4 |
2 |
1288 |
◊ |
H |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
2 |
1 |
1402 |
16.4 |
0.3 |
0.822 |
0 |
0 |
0 |
0.000 |
145 |
|
E |
2 |
1 |
1397 |
◊ |
C |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
3 |
2 |
1282 |
11.9 |
0.2 |
0.796 |
0 |
0 |
0 |
0.000 |
| Average: |
14.1 |
0.2 |
0.809 |
0 |
0 |
0 |
0.000 |
| 121 |
146 |
|
[BU1]E:16 |
3 |
1 |
237 |
◊ |
[BU1]H:20 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
2 |
1 |
238 |
15.7 |
0.3 |
0.359 |
0 |
0 |
0 |
0.000 |
| 122 |
147 |
|
[BU1]G:12 |
2 |
1 |
238 |
◊ |
[GOL]H:21 |
x,y,z |
1_555 |
2 |
1 |
219 |
14.8 |
0.3 |
0.422 |
1 |
0 |
0 |
0.000 |
| 123 |
148 |
|
[BU1]G:12 |
2 |
1 |
238 |
f |
[GOL]H:21 |
y,x,-z |
7_555 |
2 |
1 |
219 |
14.5 |
-0.2 |
0.479 |
1 |
0 |
0 |
0.021 |
| 124 |
149 |
|
[BU1]B:12 |
1 |
1 |
240 |
f |
[GOL]B:11 |
x,y,z |
1_555 |
3 |
1 |
218 |
14.4 |
-0.8 |
0.276 |
0 |
0 |
0 |
0.055 |
| 125 |
150 |
|
D |
2 |
1 |
1221 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
1286 |
14.4 |
-0.5 |
0.333 |
0 |
0 |
0 |
0.003 |
| 126 |
151 |
|
[SO4]G:11 |
1 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
1221 |
14.1 |
-2.2 |
0.653 |
0 |
0 |
0 |
0.100 |
| 127 |
152 |
|
[BU1]H:13 |
2 |
1 |
237 |
◊ |
[HAO]H:7 |
x,y,z |
1_555 |
4 |
1 |
414 |
13.9 |
0.2 |
0.461 |
0 |
0 |
0 |
0.000 |
| 128 |
153 |
|
[SO4]A:11 |
1 |
1 |
187 |
◊ |
[SO4]H:12 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
3 |
1 |
187 |
13.7 |
-3.3 |
0.891 |
0 |
0 |
0 |
0.030 |
| 129 |
154 |
|
[BU1]C:18 |
2 |
1 |
240 |
◊ |
[BU1]B:12 |
x,y,z |
1_555 |
3 |
1 |
240 |
12.6 |
-0.2 |
0.334 |
0 |
0 |
0 |
0.003 |
| 130 |
155 |
|
[BU1]G:19 |
2 |
1 |
234 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
1402 |
12.4 |
-0.6 |
0.300 |
0 |
0 |
0 |
0.000 |
| 131 |
156 |
|
[BU1]H:20 |
2 |
1 |
238 |
◊ |
[BU1]F:17 |
-y+1/2,x+1/2,z-1/4 |
3_554 |
3 |
1 |
240 |
12.2 |
0.7 |
0.334 |
0 |
0 |
0 |
0.000 |
| 132 |
157 |
|
[BU1]G:19 |
2 |
1 |
234 |
◊ |
H |
y,x,-z |
7_555 |
2 |
1 |
1402 |
12.0 |
0.0 |
0.386 |
0 |
0 |
0 |
0.000 |
| 133 |
158 |
|
[HAO]D:7 |
2 |
1 |
416 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
1288 |
10.5 |
0.3 |
0.722 |
0 |
0 |
0 |
0.000 |
| 134 |
159 |
|
[BU1]C:18 |
1 |
1 |
240 |
f |
[SO4]A:11 |
x,y,z |
1_555 |
3 |
1 |
187 |
10.1 |
-0.7 |
0.575 |
0 |
0 |
0 |
0.027 |
| 135 |
160 |
|
A |
1 |
1 |
1288 |
f |
[BU1]H:20 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
1 |
1 |
238 |
10.1 |
0.0 |
0.261 |
0 |
0 |
0 |
0.000 |
| 136 |
161 |
|
[SO4]E:12 |
1 |
1 |
186 |
◊ |
[BU1]C:18 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
1 |
1 |
240 |
8.8 |
-0.9 |
0.365 |
0 |
0 |
0 |
0.006 |
| 137 |
162 |
|
E |
1 |
1 |
1397 |
◊ |
[BU1]G:19 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
2 |
1 |
234 |
8.4 |
0.1 |
0.359 |
0 |
0 |
0 |
0.000 |
| 138 |
163 |
|
[BU1]G:19 |
2 |
1 |
234 |
◊ |
E |
-y+1/2,x+1/2,z-1/4 |
3_554 |
1 |
1 |
1397 |
8.3 |
0.1 |
0.359 |
0 |
0 |
0 |
0.000 |
| 139 |
164 |
|
[BU1]H:15 |
2 |
1 |
241 |
◊ |
[GOL]H:21 |
y,x,-z |
7_555 |
2 |
1 |
219 |
8.3 |
0.2 |
0.422 |
1 |
0 |
0 |
0.000 |
| 140 |
165 |
|
[SO4]A:11 |
1 |
1 |
187 |
f |
[HAO]A:7 |
x,y,z |
1_555 |
1 |
1 |
416 |
7.0 |
-0.8 |
0.719 |
0 |
0 |
0 |
0.030 |
| 141 |
166 |
|
[BU1]H:15 |
1 |
1 |
241 |
◊ |
H |
y,x,-z |
7_555 |
2 |
1 |
1402 |
6.9 |
-0.0 |
0.312 |
0 |
0 |
0 |
0.000 |
| 142 |
167 |
|
[BU1]H:15 |
1 |
1 |
241 |
◊ |
[GOL]H:21 |
x,y,z |
1_555 |
2 |
1 |
219 |
6.6 |
-0.3 |
0.312 |
0 |
0 |
0 |
0.000 |
| 143 |
168 |
|
E |
2 |
1 |
1397 |
◊ |
[BU1]G:12 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
1 |
1 |
238 |
6.4 |
-0.1 |
0.316 |
0 |
0 |
0 |
0.000 |
| 144 |
169 |
|
[BU1]G:12 |
1 |
1 |
238 |
◊ |
E |
-y+1/2,x+1/2,z-1/4 |
3_554 |
2 |
1 |
1397 |
5.8 |
-0.4 |
0.315 |
0 |
0 |
0 |
0.006 |
| 145 |
170 |
|
[BU1]H:15 |
1 |
1 |
241 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
1402 |
5.5 |
-0.4 |
0.317 |
0 |
0 |
0 |
0.000 |
| 146 |
171 |
|
G |
2 |
2 |
1319 |
◊ |
F |
-y+1/2,x+1/2,z-1/4 |
3_554 |
2 |
2 |
1315 |
5.3 |
-0.1 |
0.665 |
0 |
0 |
0 |
0.000 |
| 147 |
172 |
|
[BU1]E:16 |
1 |
1 |
237 |
◊ |
[HAO]A:7 |
x,y,z |
1_555 |
2 |
1 |
416 |
4.9 |
0.1 |
0.316 |
0 |
0 |
0 |
0.000 |
| 148 |
173 |
|
[SO4]G:11 |
1 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
1282 |
4.3 |
-0.7 |
0.665 |
0 |
0 |
0 |
0.011 |
| 149 |
174 |
|
[BU1]H:13 |
2 |
1 |
237 |
◊ |
[HAO]C:7 |
x,y,z |
1_555 |
2 |
1 |
416 |
3.5 |
0.0 |
0.401 |
0 |
0 |
0 |
0.000 |
| 150 |
175 |
|
[HAO]A:7 |
1 |
1 |
416 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
1282 |
3.0 |
-0.0 |
0.598 |
0 |
0 |
0 |
0.000 |
| 151 |
176 |
|
[BU1]G:14 |
1 |
1 |
240 |
◊ |
D |
y,x,-z |
7_555 |
2 |
1 |
1221 |
2.7 |
0.1 |
0.340 |
0 |
0 |
0 |
0.000 |
| 152 |
177 |
|
[SO4]E:12 |
1 |
1 |
186 |
f |
[HAO]E:7 |
x,y,z |
1_555 |
1 |
1 |
417 |
2.5 |
-0.3 |
0.804 |
0 |
0 |
0 |
0.008 |
| 153 |
178 |
|
[SO4]H:12 |
1 |
1 |
187 |
f |
[HAO]H:7 |
x,y,z |
1_555 |
1 |
1 |
414 |
2.2 |
-0.3 |
0.804 |
0 |
0 |
0 |
0.009 |
| 154 |
179 |
|
[HAO]C:7 |
1 |
1 |
416 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
1286 |
1.1 |
-0.1 |
0.657 |
0 |
0 |
0 |
0.000 |
| 155 |
180 |
|
[SO4]A:11 |
1 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
1397 |
0.3 |
-0.0 |
0.856 |
0 |
0 |
0 |
0.000 |
| 156 |
181 |
|
[BU1]F:13 |
1 |
1 |
239 |
◊ |
[BU1]G:19 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
1 |
1 |
234 |
0.2 |
0.0 |
0.167 |
0 |
0 |
0 |
0.000 |
| 157 |
182 |
|
[BU1]G:19 |
1 |
1 |
234 |
◊ |
[BU1]F:13 |
-y+1/2,x+1/2,z-1/4 |
3_554 |
1 |
1 |
239 |
0.1 |
0.0 |
0.167 |
0 |
0 |
0 |
0.000 |
|