## |
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 |
94 |
27 |
17423 |
◊ |
A |
x,y,z |
1_555 |
90 |
26 |
17660 |
868.1 |
-10.4 |
0.068 |
11 |
10 |
0 |
0.069 |
2 |
|
F |
97 |
26 |
17442 |
◊ |
B |
x,y,z |
1_555 |
90 |
25 |
17506 |
868.0 |
-7.8 |
0.162 |
8 |
10 |
0 |
0.069 |
3 |
|
E |
88 |
26 |
17479 |
◊ |
D |
x,y,z |
1_555 |
89 |
26 |
17575 |
834.9 |
-8.4 |
0.126 |
9 |
10 |
0 |
0.069 |
Average: |
857.0 |
-8.8 |
0.118 |
9 |
10 |
0 |
0.069 |
2 |
4 |
|
F |
83 |
28 |
17442 |
◊ |
C |
x,y,z |
1_555 |
81 |
29 |
17423 |
722.5 |
-1.9 |
0.510 |
8 |
6 |
0 |
0.025 |
5 |
|
E |
84 |
28 |
17479 |
◊ |
B |
x,y,z |
1_555 |
88 |
29 |
17506 |
710.4 |
-2.3 |
0.479 |
9 |
6 |
0 |
0.025 |
6 |
|
D |
83 |
27 |
17575 |
◊ |
A |
x,y,z |
1_555 |
82 |
27 |
17660 |
707.6 |
-2.0 |
0.499 |
7 |
7 |
0 |
0.025 |
Average: |
713.5 |
-2.1 |
0.496 |
8 |
6 |
0 |
0.025 |
3 |
7 |
|
D |
53 |
16 |
17575 |
◊ |
F |
y,x-1,-z |
4_545 |
52 |
16 |
17442 |
472.5 |
-0.1 |
0.612 |
4 |
2 |
0 |
0.000 |
4 |
8 |
|
C |
37 |
11 |
17423 |
◊ |
B |
x,y,z |
1_555 |
39 |
14 |
17506 |
332.1 |
1.1 |
0.693 |
4 |
1 |
0 |
0.004 |
9 |
|
D |
37 |
12 |
17575 |
◊ |
C |
x,y,z |
1_555 |
36 |
12 |
17423 |
321.6 |
1.5 |
0.719 |
4 |
0 |
0 |
0.004 |
10 |
|
F |
36 |
12 |
17442 |
◊ |
A |
x,y,z |
1_555 |
39 |
13 |
17660 |
319.8 |
1.2 |
0.702 |
4 |
1 |
0 |
0.004 |
11 |
|
F |
37 |
13 |
17442 |
◊ |
E |
x,y,z |
1_555 |
37 |
12 |
17479 |
316.6 |
1.0 |
0.681 |
4 |
0 |
0 |
0.004 |
12 |
|
D |
35 |
12 |
17575 |
◊ |
B |
x,y,z |
1_555 |
36 |
11 |
17506 |
316.0 |
1.3 |
0.703 |
4 |
0 |
0 |
0.004 |
13 |
|
E |
36 |
12 |
17479 |
◊ |
A |
x,y,z |
1_555 |
35 |
11 |
17660 |
301.8 |
1.5 |
0.720 |
4 |
0 |
0 |
0.004 |
Average: |
318.0 |
1.3 |
0.703 |
4 |
0 |
0 |
0.004 |
5 |
14 |
|
C |
38 |
11 |
17423 |
◊ |
C |
y+1,x-1,-z |
4_645 |
37 |
11 |
17423 |
312.3 |
3.6 |
0.873 |
2 |
2 |
0 |
0.000 |
6 |
15 |
|
C |
32 |
9 |
17423 |
◊ |
E |
-x+1,-x+y,-z+1/3 |
6_655 |
25 |
8 |
17479 |
234.8 |
-1.0 |
0.482 |
1 |
0 |
0 |
0.000 |
7 |
16 |
|
[SF4]C:738 |
8 |
1 |
309 |
f |
C |
x,y,z |
1_555 |
24 |
12 |
17423 |
168.1 |
-20.0 |
0.104 |
2 |
0 |
0 |
0.174 |
17 |
|
[SF4]F:738 |
8 |
1 |
305 |
f |
F |
x,y,z |
1_555 |
24 |
12 |
17442 |
167.9 |
-19.2 |
0.300 |
2 |
0 |
0 |
0.174 |
18 |
|
[SF4]B:738 |
8 |
1 |
309 |
f |
B |
x,y,z |
1_555 |
23 |
12 |
17506 |
166.7 |
-18.8 |
0.249 |
1 |
0 |
0 |
0.174 |
19 |
|
[SF4]A:738 |
8 |
1 |
309 |
f |
A |
x,y,z |
1_555 |
22 |
13 |
17660 |
165.0 |
-19.8 |
0.118 |
3 |
0 |
0 |
0.174 |
20 |
|
[SF4]D:738 |
8 |
1 |
306 |
f |
D |
x,y,z |
1_555 |
23 |
14 |
17575 |
164.6 |
-18.7 |
0.209 |
3 |
0 |
0 |
0.174 |
21 |
|
[SF4]E:738 |
8 |
1 |
307 |
f |
E |
x,y,z |
1_555 |
25 |
13 |
17479 |
163.8 |
-18.5 |
0.322 |
1 |
0 |
0 |
0.174 |
Average: |
166.0 |
-19.2 |
0.217 |
2 |
0 |
0 |
0.174 |
8 |
22 |
|
[GOL]C:743 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
20 |
7 |
17423 |
117.0 |
-0.5 |
0.516 |
1 |
0 |
0 |
0.004 |
23 |
|
[GOL]B:743 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
17506 |
113.8 |
-0.8 |
0.446 |
1 |
0 |
0 |
0.004 |
24 |
|
[GOL]F:743 |
6 |
1 |
220 |
f |
F |
x,y,z |
1_555 |
19 |
7 |
17442 |
110.0 |
-0.8 |
0.468 |
1 |
0 |
0 |
0.004 |
Average: |
113.6 |
-0.7 |
0.477 |
1 |
0 |
0 |
0.004 |
9 |
25 |
|
[GOL]D:743 |
6 |
1 |
222 |
f |
D |
x,y,z |
1_555 |
20 |
7 |
17575 |
115.5 |
-0.4 |
0.514 |
1 |
0 |
0 |
0.001 |
10 |
26 |
|
[GOL]E:743 |
6 |
1 |
221 |
f |
E |
x,y,z |
1_555 |
20 |
7 |
17479 |
115.0 |
-0.7 |
0.488 |
1 |
0 |
0 |
0.005 |
27 |
|
[GOL]A:743 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
17660 |
114.1 |
-0.8 |
0.461 |
1 |
0 |
0 |
0.005 |
Average: |
114.5 |
-0.7 |
0.475 |
1 |
0 |
0 |
0.005 |
11 |
28 |
|
B |
14 |
5 |
17506 |
◊ |
B |
x-y,-y,-z-1/3 |
5_554 |
14 |
5 |
17506 |
102.0 |
-1.3 |
0.346 |
0 |
0 |
0 |
0.000 |
12 |
29 |
|
A |
13 |
3 |
17660 |
◊ |
E |
-x+1,-x+y,-z+1/3 |
6_655 |
12 |
6 |
17479 |
89.2 |
-0.5 |
0.455 |
0 |
0 |
0 |
0.000 |
13 |
30 |
|
[SO4]E:745 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
17479 |
73.7 |
-9.3 |
0.899 |
2 |
0 |
0 |
0.013 |
14 |
31 |
|
[SO4]D:745 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
17575 |
72.5 |
-8.5 |
0.923 |
4 |
0 |
0 |
0.013 |
15 |
32 |
|
[SO4]C:745 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
17423 |
72.4 |
-8.9 |
0.927 |
3 |
0 |
0 |
0.043 |
16 |
33 |
|
[SO4]B:744 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
17506 |
72.0 |
-10.4 |
0.756 |
3 |
0 |
0 |
0.015 |
17 |
34 |
|
[SO4]A:745 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
17660 |
71.9 |
-8.7 |
0.908 |
2 |
0 |
0 |
0.040 |
18 |
35 |
|
[SO4]B:745 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
17506 |
71.3 |
-8.9 |
0.914 |
2 |
0 |
0 |
0.013 |
19 |
36 |
|
[SO4]F:745 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
17442 |
71.2 |
-8.9 |
0.908 |
2 |
0 |
0 |
0.013 |
20 |
37 |
|
[SO4]A:744 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
17660 |
71.0 |
-10.4 |
0.761 |
2 |
0 |
0 |
0.047 |
21 |
38 |
|
[SO4]E:744 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
17479 |
70.6 |
-10.0 |
0.746 |
2 |
0 |
0 |
0.014 |
22 |
39 |
|
[SO4]C:744 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
17423 |
69.9 |
-10.3 |
0.747 |
3 |
0 |
0 |
0.048 |
23 |
40 |
|
[SO4]F:744 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
17442 |
69.8 |
-10.2 |
0.742 |
2 |
0 |
0 |
0.014 |
24 |
41 |
|
[SO4]D:744 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
17575 |
68.4 |
-9.9 |
0.778 |
3 |
0 |
0 |
0.014 |
25 |
42 |
|
[SO4]E:742 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
17479 |
66.2 |
-9.1 |
0.725 |
2 |
0 |
0 |
0.013 |
26 |
43 |
|
[SO4]B:742 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
17506 |
66.1 |
-9.7 |
0.621 |
1 |
0 |
0 |
0.041 |
44 |
|
[SO4]A:742 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
17660 |
65.4 |
-9.5 |
0.610 |
1 |
0 |
0 |
0.041 |
Average: |
65.7 |
-9.6 |
0.616 |
1 |
0 |
0 |
0.041 |
27 |
45 |
|
[H2S]F:740 |
1 |
1 |
133 |
f |
F |
x,y,z |
1_555 |
13 |
5 |
17442 |
64.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.038 |
46 |
|
[H2S]B:740 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
17506 |
63.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.038 |
47 |
|
[H2S]C:740 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
17423 |
63.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.038 |
48 |
|
[H2S]A:740 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
17660 |
62.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.038 |
49 |
|
[H2S]D:740 |
1 |
1 |
133 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
17575 |
62.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.038 |
50 |
|
[H2S]E:740 |
1 |
1 |
133 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
17479 |
61.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.038 |
Average: |
62.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.038 |
28 |
51 |
|
[SO4]F:742 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
17442 |
63.9 |
-9.2 |
0.618 |
2 |
0 |
0 |
0.013 |
29 |
52 |
|
[SO4]D:742 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
17575 |
61.2 |
-8.8 |
0.643 |
2 |
0 |
0 |
0.012 |
30 |
53 |
|
[SO4]B:741 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
17506 |
60.5 |
-6.3 |
0.954 |
3 |
0 |
0 |
0.010 |
31 |
54 |
|
[SO4]A:746 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
17442 |
58.9 |
-8.0 |
0.603 |
1 |
0 |
0 |
0.011 |
32 |
55 |
|
[SO4]C:741 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
17423 |
58.4 |
-5.5 |
0.969 |
2 |
0 |
0 |
0.008 |
33 |
56 |
|
[SO4]A:741 |
5 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
17479 |
58.1 |
-6.7 |
0.879 |
1 |
0 |
0 |
0.009 |
34 |
57 |
|
[SO4]C:742 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
17423 |
57.9 |
-8.5 |
0.676 |
1 |
0 |
0 |
0.037 |
35 |
58 |
|
[SO4]D:741 |
5 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
17575 |
57.4 |
-7.1 |
0.931 |
2 |
0 |
0 |
0.010 |
36 |
59 |
|
[SO4]D:741 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
17506 |
56.9 |
-7.7 |
0.618 |
1 |
0 |
0 |
0.010 |
37 |
60 |
|
[SO4]A:741 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
17660 |
56.8 |
-7.7 |
0.592 |
1 |
0 |
0 |
0.034 |
38 |
61 |
|
[SO4]A:746 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
17660 |
56.6 |
-5.9 |
0.965 |
2 |
0 |
0 |
0.009 |
39 |
62 |
|
[SO4]F:741 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
7 |
4 |
17479 |
55.5 |
-7.7 |
0.559 |
1 |
0 |
0 |
0.010 |
40 |
63 |
|
[SO4]F:741 |
5 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
17442 |
55.4 |
-6.0 |
0.962 |
3 |
0 |
0 |
0.009 |
41 |
64 |
|
[SO4]B:741 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
17423 |
55.2 |
-7.7 |
0.606 |
1 |
0 |
0 |
0.034 |
42 |
65 |
|
[SO4]C:741 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
17575 |
53.5 |
-7.5 |
0.565 |
1 |
0 |
0 |
0.010 |
43 |
66 |
|
[GOL]F:743 |
4 |
1 |
220 |
f |
[SO4]F:744 |
x,y,z |
1_555 |
4 |
1 |
185 |
33.5 |
-4.1 |
0.671 |
0 |
0 |
0 |
0.005 |
44 |
67 |
|
[SO4]B:742 |
3 |
1 |
188 |
◊ |
B |
x-y,-y,-z-1/3 |
5_554 |
3 |
2 |
17506 |
31.5 |
-3.5 |
0.937 |
0 |
0 |
0 |
0.000 |
45 |
68 |
|
[GOL]A:743 |
4 |
1 |
221 |
f |
[SO4]A:744 |
x,y,z |
1_555 |
4 |
1 |
186 |
31.1 |
-3.8 |
0.671 |
0 |
0 |
0 |
0.016 |
46 |
69 |
|
[ZN]F:739 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
17442 |
30.4 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.184 |
70 |
|
[ZN]D:739 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
17575 |
30.3 |
-22.2 |
0.000 |
0 |
0 |
0 |
0.184 |
71 |
|
[ZN]B:739 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
17506 |
30.3 |
-22.4 |
0.000 |
0 |
0 |
0 |
0.184 |
72 |
|
[ZN]C:739 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
17423 |
30.3 |
-22.3 |
0.000 |
0 |
0 |
0 |
0.184 |
73 |
|
[ZN]E:739 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
7 |
4 |
17479 |
30.2 |
-22.2 |
0.000 |
0 |
0 |
0 |
0.184 |
74 |
|
[ZN]A:739 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
17660 |
30.1 |
-22.2 |
0.000 |
0 |
0 |
0 |
0.184 |
Average: |
30.3 |
-22.4 |
0.000 |
0 |
0 |
0 |
0.184 |
47 |
75 |
|
[GOL]E:743 |
4 |
1 |
221 |
f |
[SO4]E:744 |
x,y,z |
1_555 |
4 |
1 |
186 |
30.1 |
-3.8 |
0.685 |
0 |
0 |
0 |
0.005 |
48 |
76 |
|
[GOL]D:743 |
4 |
1 |
222 |
f |
[SO4]D:744 |
x,y,z |
1_555 |
4 |
1 |
185 |
28.8 |
-3.6 |
0.685 |
0 |
0 |
0 |
0.005 |
49 |
77 |
|
[GOL]B:743 |
3 |
1 |
221 |
f |
[SO4]B:744 |
x,y,z |
1_555 |
4 |
1 |
186 |
28.4 |
-3.5 |
0.634 |
0 |
0 |
0 |
0.004 |
50 |
78 |
|
[H2S]B:740 |
1 |
1 |
133 |
f |
[ZN]B:739 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.4 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.014 |
51 |
79 |
|
[H2S]D:740 |
1 |
1 |
133 |
f |
[ZN]D:739 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.4 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.014 |
52 |
80 |
|
[H2S]F:740 |
1 |
1 |
133 |
f |
[ZN]F:739 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.3 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.013 |
53 |
81 |
|
[H2S]A:740 |
1 |
1 |
133 |
f |
[ZN]A:739 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.3 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.044 |
54 |
82 |
|
[H2S]E:740 |
1 |
1 |
133 |
f |
[ZN]E:739 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.3 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.014 |
55 |
83 |
|
[GOL]C:743 |
2 |
1 |
221 |
f |
[SO4]C:744 |
x,y,z |
1_555 |
4 |
1 |
184 |
24.2 |
-3.1 |
0.500 |
0 |
0 |
0 |
0.013 |
56 |
84 |
|
[H2S]C:740 |
1 |
1 |
133 |
f |
[ZN]C:739 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.2 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.043 |
57 |
85 |
|
[ZN]A:739 |
1 |
1 |
98 |
f |
[SF4]A:738 |
x,y,z |
1_555 |
2 |
1 |
309 |
20.4 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.076 |
86 |
|
[ZN]E:739 |
1 |
1 |
98 |
f |
[SF4]E:738 |
x,y,z |
1_555 |
2 |
1 |
307 |
20.3 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.076 |
87 |
|
[ZN]D:739 |
1 |
1 |
98 |
f |
[SF4]D:738 |
x,y,z |
1_555 |
2 |
1 |
306 |
20.2 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.076 |
88 |
|
[ZN]C:739 |
1 |
1 |
98 |
f |
[SF4]C:738 |
x,y,z |
1_555 |
2 |
1 |
309 |
20.0 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.076 |
89 |
|
[ZN]B:739 |
1 |
1 |
98 |
f |
[SF4]B:738 |
x,y,z |
1_555 |
2 |
1 |
309 |
19.8 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.076 |
90 |
|
[ZN]F:739 |
1 |
1 |
98 |
f |
[SF4]F:738 |
x,y,z |
1_555 |
2 |
1 |
305 |
19.4 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.076 |
Average: |
20.0 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.076 |
58 |
91 |
|
[H2S]E:740 |
1 |
1 |
133 |
f |
[SF4]E:738 |
x,y,z |
1_555 |
2 |
1 |
307 |
10.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.010 |
92 |
|
[H2S]D:740 |
1 |
1 |
133 |
f |
[SF4]D:738 |
x,y,z |
1_555 |
2 |
1 |
306 |
10.4 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.010 |
93 |
|
[H2S]A:740 |
1 |
1 |
133 |
f |
[SF4]A:738 |
x,y,z |
1_555 |
2 |
1 |
309 |
9.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.010 |
94 |
|
[H2S]B:740 |
1 |
1 |
133 |
f |
[SF4]B:738 |
x,y,z |
1_555 |
2 |
1 |
309 |
9.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.010 |
95 |
|
[H2S]C:740 |
1 |
1 |
133 |
f |
[SF4]C:738 |
x,y,z |
1_555 |
2 |
1 |
309 |
9.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.010 |
96 |
|
[H2S]F:740 |
1 |
1 |
133 |
f |
[SF4]F:738 |
x,y,z |
1_555 |
2 |
1 |
305 |
7.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
9.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.010 |
|