| ## |
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 |
|
A |
157 |
40 |
24383 |
x |
A |
z-1/2,-x+1/2,-y+1 |
7_456 |
153 |
44 |
24383 |
1489.5 |
-13.0 |
0.272 |
21 |
6 |
0 |
0.086 |
2 |
|
B |
153 |
44 |
24259 |
x |
B |
z-1/2,-x+1/2,-y+1 |
7_456 |
161 |
40 |
24259 |
1484.5 |
-12.4 |
0.285 |
21 |
6 |
0 |
0.086 |
| Average: |
1487.0 |
-12.7 |
0.278 |
21 |
6 |
0 |
0.086 |
| 2 |
3 |
|
B |
127 |
37 |
24259 |
◊ |
A |
x,y,z |
1_555 |
123 |
37 |
24383 |
1189.5 |
-6.3 |
0.556 |
17 |
0 |
0 |
0.029 |
| 3 |
4 |
|
[HEC]A:608 |
42 |
1 |
851 |
cf |
A |
x,y,z |
1_555 |
82 |
25 |
24383 |
577.2 |
-22.0 |
0.222 |
4 |
0 |
0 |
0.088 |
| 4 |
5 |
|
[HEC]B:608 |
42 |
1 |
843 |
cf |
B |
x,y,z |
1_555 |
84 |
26 |
24259 |
557.1 |
-20.0 |
0.294 |
3 |
0 |
0 |
0.080 |
| 5 |
6 |
|
[HEC]A:602 |
41 |
1 |
838 |
cf |
A |
x,y,z |
1_555 |
72 |
26 |
24383 |
544.7 |
-20.0 |
0.119 |
3 |
0 |
0 |
0.089 |
7 |
|
[HEC]B:602 |
42 |
1 |
828 |
cf |
B |
x,y,z |
1_555 |
70 |
24 |
24259 |
539.7 |
-19.8 |
0.110 |
3 |
0 |
0 |
0.089 |
| Average: |
542.2 |
-19.9 |
0.114 |
3 |
0 |
0 |
0.089 |
| 6 |
8 |
|
[HEC]A:606 |
43 |
1 |
834 |
cf |
A |
x,y,z |
1_555 |
78 |
28 |
24383 |
533.9 |
-22.8 |
0.067 |
6 |
0 |
0 |
0.104 |
9 |
|
[HEC]B:606 |
43 |
1 |
835 |
cf |
B |
x,y,z |
1_555 |
81 |
29 |
24259 |
529.1 |
-21.6 |
0.116 |
6 |
0 |
0 |
0.104 |
| Average: |
531.5 |
-22.2 |
0.092 |
6 |
0 |
0 |
0.104 |
| 7 |
10 |
|
[HEC]A:601 |
42 |
1 |
820 |
cf |
A |
x,y,z |
1_555 |
79 |
29 |
24383 |
523.0 |
-13.7 |
0.726 |
5 |
0 |
0 |
0.070 |
11 |
|
[HEC]B:601 |
42 |
1 |
816 |
cf |
B |
x,y,z |
1_555 |
78 |
30 |
24259 |
519.4 |
-15.3 |
0.664 |
5 |
0 |
0 |
0.070 |
| Average: |
521.2 |
-14.5 |
0.695 |
5 |
0 |
0 |
0.070 |
| 8 |
12 |
|
[HEC]A:604 |
43 |
1 |
824 |
cf |
A |
x,y,z |
1_555 |
91 |
27 |
24383 |
500.2 |
-18.5 |
0.235 |
4 |
0 |
0 |
0.085 |
13 |
|
[HEC]B:604 |
43 |
1 |
823 |
cf |
B |
x,y,z |
1_555 |
89 |
27 |
24259 |
499.7 |
-18.6 |
0.217 |
4 |
0 |
0 |
0.085 |
| Average: |
500.0 |
-18.5 |
0.226 |
4 |
0 |
0 |
0.085 |
| 9 |
14 |
|
[HEC]B:605 |
39 |
1 |
801 |
cf |
B |
x,y,z |
1_555 |
50 |
20 |
24259 |
497.9 |
-18.4 |
0.027 |
0 |
0 |
0 |
0.077 |
15 |
|
[HEC]A:605 |
38 |
1 |
776 |
cf |
A |
x,y,z |
1_555 |
52 |
21 |
24383 |
493.3 |
-18.5 |
0.028 |
0 |
0 |
0 |
0.077 |
| Average: |
495.6 |
-18.5 |
0.028 |
0 |
0 |
0 |
0.077 |
| 10 |
16 |
|
[HEC]A:603 |
43 |
1 |
860 |
cf |
A |
x,y,z |
1_555 |
88 |
28 |
24383 |
493.0 |
-19.0 |
0.272 |
2 |
0 |
0 |
0.083 |
17 |
|
[HEC]B:603 |
43 |
1 |
854 |
cf |
B |
x,y,z |
1_555 |
86 |
28 |
24259 |
491.0 |
-18.8 |
0.255 |
2 |
0 |
0 |
0.083 |
| Average: |
492.0 |
-18.9 |
0.263 |
2 |
0 |
0 |
0.083 |
| 11 |
18 |
|
[HEC]B:607 |
42 |
1 |
851 |
cf |
B |
x,y,z |
1_555 |
55 |
21 |
24259 |
471.9 |
-16.1 |
0.079 |
0 |
0 |
0 |
0.067 |
19 |
|
[HEC]A:607 |
42 |
1 |
851 |
cf |
A |
x,y,z |
1_555 |
57 |
21 |
24383 |
464.5 |
-15.8 |
0.114 |
0 |
0 |
0 |
0.067 |
| Average: |
468.2 |
-15.9 |
0.096 |
0 |
0 |
0 |
0.067 |
| 12 |
20 |
|
A |
32 |
9 |
24383 |
◊ |
B |
-z+1/2,-x,y+1/2 |
6_555 |
51 |
16 |
24259 |
395.4 |
0.1 |
0.734 |
5 |
4 |
0 |
0.000 |
| 13 |
21 |
|
B |
28 |
10 |
24259 |
x |
B |
-z+1/2,-x,y+1/2 |
6_555 |
23 |
5 |
24259 |
223.0 |
2.9 |
0.853 |
5 |
4 |
0 |
0.000 |
| 14 |
22 |
|
A |
17 |
5 |
24383 |
◊ |
B |
z-1/2,-x+1/2,-y+1 |
7_456 |
18 |
6 |
24259 |
168.2 |
-0.3 |
0.645 |
4 |
0 |
0 |
0.004 |
| 15 |
23 |
|
[MPD]A:612 |
7 |
1 |
282 |
f |
A |
x,y,z |
1_555 |
31 |
9 |
24383 |
159.0 |
-9.2 |
0.737 |
3 |
0 |
0 |
0.044 |
24 |
|
[MPD]B:612 |
7 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
31 |
9 |
24259 |
158.8 |
-9.3 |
0.728 |
3 |
0 |
0 |
0.044 |
| Average: |
158.9 |
-9.2 |
0.732 |
3 |
0 |
0 |
0.044 |
| 16 |
25 |
|
B |
14 |
3 |
24259 |
◊ |
[HEC]B:605 |
z-1/2,-x+1/2,-y+1 |
7_456 |
16 |
1 |
801 |
120.3 |
-3.8 |
0.574 |
1 |
0 |
0 |
0.016 |
26 |
|
[HEC]A:605 |
16 |
1 |
776 |
◊ |
A |
z-1/2,-x+1/2,-y+1 |
7_456 |
15 |
3 |
24383 |
118.1 |
-3.9 |
0.582 |
1 |
0 |
0 |
0.016 |
| Average: |
119.2 |
-3.9 |
0.578 |
1 |
0 |
0 |
0.016 |
| 17 |
27 |
|
[HEC]B:608 |
21 |
1 |
843 |
f |
[HEC]B:606 |
x,y,z |
1_555 |
21 |
1 |
835 |
116.8 |
-4.2 |
0.999 |
0 |
0 |
0 |
0.027 |
28 |
|
[HEC]A:608 |
19 |
1 |
851 |
f |
[HEC]A:606 |
x,y,z |
1_555 |
19 |
1 |
834 |
106.3 |
-3.0 |
0.999 |
0 |
0 |
0 |
0.027 |
29 |
|
[HEC]B:607 |
18 |
1 |
851 |
f |
[HEC]B:602 |
x,y,z |
1_555 |
20 |
1 |
828 |
102.8 |
-2.9 |
1.000 |
0 |
0 |
0 |
0.027 |
30 |
|
[HEC]A:607 |
18 |
1 |
851 |
f |
[HEC]A:602 |
x,y,z |
1_555 |
20 |
1 |
838 |
101.4 |
-2.8 |
1.000 |
0 |
0 |
0 |
0.027 |
| Average: |
106.8 |
-3.2 |
0.999 |
0 |
0 |
0 |
0.027 |
| 18 |
31 |
|
[GOL]A:613 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
24383 |
108.9 |
-0.5 |
0.509 |
5 |
0 |
0 |
0.010 |
| 19 |
32 |
|
[GOL]B:613 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
24259 |
108.5 |
0.3 |
0.678 |
5 |
0 |
0 |
0.007 |
| 20 |
33 |
|
[HEC]A:607 |
10 |
1 |
851 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
24259 |
105.7 |
-3.1 |
0.311 |
0 |
0 |
0 |
0.012 |
34 |
|
[HEC]B:607 |
9 |
1 |
851 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
24383 |
99.2 |
-2.6 |
0.453 |
0 |
0 |
0 |
0.012 |
| Average: |
102.5 |
-2.8 |
0.382 |
0 |
0 |
0 |
0.012 |
| 21 |
35 |
|
[HEC]A:603 |
18 |
1 |
860 |
f |
[HEC]A:601 |
x,y,z |
1_555 |
16 |
1 |
820 |
97.9 |
-3.8 |
0.995 |
0 |
0 |
0 |
0.016 |
36 |
|
[HEC]B:603 |
17 |
1 |
854 |
f |
[HEC]B:601 |
x,y,z |
1_555 |
17 |
1 |
816 |
97.6 |
-3.7 |
0.993 |
0 |
0 |
0 |
0.016 |
| Average: |
97.7 |
-3.7 |
0.994 |
0 |
0 |
0 |
0.016 |
| 22 |
37 |
|
[GOL]A:614 |
6 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
24383 |
95.4 |
0.7 |
0.697 |
3 |
0 |
0 |
0.003 |
38 |
|
[GOL]B:614 |
6 |
1 |
218 |
◊ |
B |
z-1/2,-x+1/2,-y+1 |
7_456 |
15 |
6 |
24259 |
94.9 |
0.5 |
0.688 |
3 |
0 |
0 |
0.003 |
| Average: |
95.1 |
0.6 |
0.692 |
3 |
0 |
0 |
0.003 |
| 23 |
39 |
|
[GOL]A:614 |
6 |
1 |
218 |
f |
A |
z-1/2,-x+1/2,-y+1 |
7_456 |
17 |
4 |
24383 |
94.2 |
-0.4 |
0.598 |
2 |
0 |
0 |
0.005 |
40 |
|
[GOL]B:614 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
17 |
4 |
24259 |
93.3 |
-0.3 |
0.596 |
2 |
0 |
0 |
0.005 |
| Average: |
93.7 |
-0.3 |
0.597 |
2 |
0 |
0 |
0.005 |
| 24 |
41 |
|
[HEC]A:604 |
16 |
1 |
824 |
f |
[HEC]A:603 |
x,y,z |
1_555 |
19 |
1 |
860 |
91.8 |
-3.2 |
0.994 |
0 |
0 |
0 |
0.013 |
42 |
|
[HEC]B:604 |
16 |
1 |
823 |
f |
[HEC]B:603 |
x,y,z |
1_555 |
20 |
1 |
854 |
90.7 |
-3.1 |
0.994 |
0 |
0 |
0 |
0.013 |
| Average: |
91.2 |
-3.1 |
0.994 |
0 |
0 |
0 |
0.013 |
| 25 |
43 |
|
[GOL]A:615 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
24383 |
90.8 |
0.6 |
0.708 |
3 |
0 |
0 |
0.003 |
| 26 |
44 |
|
[MPD]B:612 |
6 |
1 |
281 |
◊ |
B |
z-1/2,-x+1/2,-y+1 |
7_456 |
16 |
4 |
24259 |
86.5 |
-4.5 |
0.796 |
0 |
0 |
0 |
0.017 |
45 |
|
A |
16 |
4 |
24383 |
◊ |
[MPD]A:612 |
z-1/2,-x+1/2,-y+1 |
7_456 |
6 |
1 |
282 |
85.0 |
-4.4 |
0.823 |
0 |
0 |
0 |
0.017 |
| Average: |
85.7 |
-4.4 |
0.809 |
0 |
0 |
0 |
0.017 |
| 27 |
46 |
|
[NO2]B:617 |
3 |
1 |
148 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
24259 |
74.3 |
0.7 |
0.743 |
1 |
0 |
0 |
0.000 |
| 28 |
47 |
|
[HEC]A:605 |
13 |
1 |
776 |
f |
[HEC]A:604 |
x,y,z |
1_555 |
4 |
1 |
824 |
72.9 |
-2.5 |
0.759 |
0 |
0 |
0 |
0.011 |
48 |
|
[HEC]B:605 |
13 |
1 |
801 |
f |
[HEC]B:604 |
x,y,z |
1_555 |
4 |
1 |
823 |
72.5 |
-2.5 |
0.762 |
0 |
0 |
0 |
0.011 |
| Average: |
72.7 |
-2.5 |
0.761 |
0 |
0 |
0 |
0.011 |
| 29 |
49 |
|
[NO2]A:617 |
3 |
1 |
148 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
24383 |
72.9 |
0.7 |
0.744 |
1 |
0 |
0 |
0.000 |
| 30 |
50 |
|
[HEC]B:607 |
5 |
1 |
851 |
◊ |
[HEC]A:607 |
x,y,z |
1_555 |
5 |
1 |
851 |
66.5 |
-2.1 |
0.772 |
0 |
0 |
0 |
0.004 |
| 31 |
51 |
|
[NO2]A:609 |
2 |
1 |
135 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
24383 |
63.6 |
2.1 |
0.987 |
2 |
0 |
0 |
0.000 |
| 32 |
52 |
|
[NO2]B:616 |
3 |
1 |
149 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
24259 |
63.0 |
0.5 |
0.700 |
1 |
0 |
0 |
0.000 |
| 33 |
53 |
|
[NO2]B:609 |
2 |
1 |
135 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
24259 |
62.7 |
2.0 |
0.982 |
2 |
0 |
0 |
0.000 |
| 34 |
54 |
|
[SO4]A:616 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
24383 |
61.9 |
-6.7 |
0.933 |
2 |
0 |
0 |
0.028 |
| 35 |
55 |
|
[NO2]A:618 |
3 |
1 |
149 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
24383 |
61.7 |
0.5 |
0.722 |
1 |
0 |
0 |
0.000 |
| 36 |
56 |
|
[NO2]A:618 |
3 |
1 |
149 |
f |
[NO2]A:617 |
x,y,z |
1_555 |
3 |
1 |
148 |
61.3 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 37 |
57 |
|
[NO2]B:617 |
3 |
1 |
148 |
f |
[NO2]B:616 |
x,y,z |
1_555 |
3 |
1 |
149 |
60.7 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 38 |
58 |
|
[SO4]B:615 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
24259 |
60.5 |
-6.8 |
0.932 |
2 |
0 |
0 |
0.029 |
| 39 |
59 |
|
B |
9 |
4 |
24259 |
f |
[SO4]B:615 |
z-1/2,-x+1/2,-y+1 |
7_456 |
4 |
1 |
187 |
59.6 |
-7.9 |
0.762 |
1 |
0 |
0 |
0.031 |
| 40 |
60 |
|
[SO4]A:616 |
4 |
1 |
186 |
f |
A |
z-1/2,-x+1/2,-y+1 |
7_456 |
9 |
4 |
24383 |
58.3 |
-7.7 |
0.758 |
1 |
0 |
0 |
0.030 |
| 41 |
61 |
|
[HEC]A:603 |
4 |
1 |
860 |
f |
[HEC]A:602 |
x,y,z |
1_555 |
6 |
1 |
838 |
57.8 |
-1.9 |
0.790 |
0 |
0 |
0 |
0.008 |
62 |
|
[HEC]B:603 |
4 |
1 |
854 |
f |
[HEC]B:602 |
x,y,z |
1_555 |
6 |
1 |
828 |
55.3 |
-1.8 |
0.803 |
0 |
0 |
0 |
0.008 |
| Average: |
56.5 |
-1.8 |
0.797 |
0 |
0 |
0 |
0.008 |
| 42 |
63 |
|
[HEC]B:607 |
8 |
1 |
851 |
f |
[HEC]B:606 |
x,y,z |
1_555 |
5 |
1 |
835 |
55.8 |
-1.7 |
0.871 |
0 |
0 |
0 |
0.007 |
64 |
|
[HEC]A:607 |
7 |
1 |
851 |
f |
[HEC]A:606 |
x,y,z |
1_555 |
5 |
1 |
834 |
54.3 |
-1.7 |
0.864 |
0 |
0 |
0 |
0.007 |
| Average: |
55.0 |
-1.7 |
0.868 |
0 |
0 |
0 |
0.007 |
| 43 |
65 |
|
[HEC]B:608 |
3 |
1 |
843 |
◊ |
B |
-z+1/2,-x,y+1/2 |
6_555 |
8 |
3 |
24259 |
52.2 |
-0.5 |
0.683 |
0 |
0 |
0 |
0.000 |
| 44 |
66 |
|
[CA]B:610 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
24259 |
45.7 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.054 |
67 |
|
[CA]A:610 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
24383 |
44.4 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.054 |
| Average: |
45.0 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.054 |
| 45 |
68 |
|
[NO2]B:609 |
2 |
1 |
135 |
cf |
[HEC]B:601 |
x,y,z |
1_555 |
19 |
1 |
816 |
45.0 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 46 |
69 |
|
[NO2]A:609 |
2 |
1 |
135 |
cf |
[HEC]A:601 |
x,y,z |
1_555 |
21 |
1 |
820 |
44.3 |
-0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 47 |
70 |
|
[HEC]A:608 |
3 |
1 |
851 |
◊ |
B |
-z+1/2,-x,y+1/2 |
6_555 |
5 |
3 |
24259 |
41.2 |
-0.7 |
0.646 |
0 |
0 |
0 |
0.000 |
| 48 |
71 |
|
[GOL]A:613 |
4 |
1 |
220 |
f |
[HEC]A:604 |
x,y,z |
1_555 |
5 |
1 |
824 |
37.4 |
-1.2 |
0.594 |
0 |
0 |
0 |
0.004 |
| 49 |
72 |
|
[GOL]B:613 |
4 |
1 |
220 |
f |
[HEC]B:604 |
x,y,z |
1_555 |
5 |
1 |
823 |
37.3 |
-1.2 |
0.623 |
0 |
0 |
0 |
0.004 |
| 50 |
73 |
|
[CA]B:611 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
24259 |
29.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.023 |
74 |
|
[CA]A:611 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
24383 |
29.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
29.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.023 |
| 51 |
75 |
|
[GOL]A:613 |
3 |
1 |
220 |
f |
[CA]A:611 |
x,y,z |
1_555 |
1 |
1 |
85 |
20.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.010 |
| 52 |
76 |
|
[GOL]B:613 |
3 |
1 |
220 |
f |
[CA]B:611 |
x,y,z |
1_555 |
1 |
1 |
85 |
20.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.010 |
| 53 |
77 |
|
[CA]B:611 |
1 |
1 |
85 |
f |
[HEC]B:603 |
x,y,z |
1_555 |
3 |
1 |
854 |
18.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.024 |
78 |
|
[CA]A:611 |
1 |
1 |
85 |
f |
[HEC]A:603 |
x,y,z |
1_555 |
3 |
1 |
860 |
18.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.024 |
79 |
|
[CA]A:611 |
1 |
1 |
85 |
f |
[HEC]A:604 |
x,y,z |
1_555 |
2 |
1 |
824 |
11.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.024 |
80 |
|
[CA]B:611 |
1 |
1 |
85 |
f |
[HEC]B:604 |
x,y,z |
1_555 |
2 |
1 |
823 |
11.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.024 |
| Average: |
14.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.024 |
| 54 |
81 |
|
[HEC]A:604 |
1 |
1 |
824 |
f |
[HEC]A:601 |
x,y,z |
1_555 |
2 |
1 |
820 |
10.6 |
-0.3 |
0.654 |
0 |
0 |
0 |
0.001 |
82 |
|
[HEC]B:604 |
1 |
1 |
823 |
f |
[HEC]B:601 |
x,y,z |
1_555 |
2 |
1 |
816 |
10.2 |
-0.3 |
0.654 |
0 |
0 |
0 |
0.001 |
| Average: |
10.4 |
-0.3 |
0.654 |
0 |
0 |
0 |
0.001 |
| 55 |
83 |
|
[GOL]B:613 |
2 |
1 |
220 |
f |
[HEC]B:603 |
x,y,z |
1_555 |
2 |
1 |
854 |
8.5 |
-0.2 |
0.646 |
0 |
0 |
0 |
0.000 |
| 56 |
84 |
|
[GOL]A:613 |
2 |
1 |
220 |
f |
[HEC]A:603 |
x,y,z |
1_555 |
2 |
1 |
860 |
8.2 |
-0.2 |
0.616 |
0 |
0 |
0 |
0.000 |
| 57 |
85 |
|
[NO2]B:609 |
1 |
1 |
135 |
f |
[HEC]B:603 |
x,y,z |
1_555 |
1 |
1 |
854 |
1.1 |
-0.0 |
0.952 |
0 |
0 |
0 |
0.000 |
| 58 |
86 |
|
[NO2]A:609 |
1 |
1 |
135 |
f |
[HEC]A:603 |
x,y,z |
1_555 |
1 |
1 |
860 |
0.8 |
-0.0 |
0.952 |
0 |
0 |
0 |
0.000 |
|