| ## |
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 |
475 |
138 |
29649 |
◊ |
B |
x,y,z |
1_555 |
488 |
138 |
28891 |
4617.8 |
-31.1 |
0.477 |
61 |
13 |
0 |
0.671 |
2 |
|
C |
481 |
136 |
29649 |
◊ |
A |
x,y,z |
1_555 |
474 |
139 |
29046 |
4567.0 |
-33.4 |
0.351 |
58 |
15 |
0 |
0.671 |
3 |
|
B |
466 |
137 |
28891 |
◊ |
A |
x,y,z |
1_555 |
487 |
135 |
29046 |
4545.6 |
-35.1 |
0.339 |
57 |
15 |
0 |
0.671 |
| Average: |
4576.8 |
-33.2 |
0.389 |
59 |
14 |
0 |
0.671 |
| 2 |
4 |
|
C |
41 |
14 |
29649 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
44 |
15 |
29046 |
421.3 |
-2.7 |
0.460 |
3 |
0 |
0 |
0.000 |
| 3 |
5 |
|
C |
32 |
11 |
29649 |
◊ |
A |
x,y,z-1 |
1_554 |
35 |
12 |
29046 |
330.6 |
-2.7 |
0.393 |
7 |
0 |
0 |
0.000 |
| 4 |
6 |
|
B |
26 |
9 |
28891 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
22 |
10 |
29046 |
241.8 |
-0.7 |
0.620 |
2 |
0 |
0 |
0.000 |
| 5 |
7 |
|
C |
28 |
10 |
29649 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
24 |
11 |
28891 |
228.2 |
-0.6 |
0.582 |
2 |
0 |
0 |
0.000 |
| 6 |
8 |
|
C |
24 |
9 |
29649 |
◊ |
A |
x,y-1,z |
1_545 |
27 |
11 |
29046 |
215.4 |
-2.2 |
0.405 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[PGE]A:729 |
10 |
1 |
334 |
f |
A |
x,y,z |
1_555 |
31 |
9 |
29046 |
176.1 |
4.5 |
0.310 |
2 |
0 |
0 |
0.000 |
| 8 |
10 |
|
B |
18 |
7 |
28891 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
17 |
7 |
28891 |
172.7 |
-2.2 |
0.338 |
2 |
0 |
0 |
0.000 |
| 9 |
11 |
|
B |
16 |
7 |
28891 |
◊ |
A |
x,y,z-1 |
1_554 |
19 |
7 |
29046 |
136.9 |
-2.1 |
0.363 |
0 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[PEG]A:728 |
6 |
1 |
252 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
29046 |
130.6 |
2.7 |
0.428 |
3 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[GOL]A:713 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
29046 |
128.2 |
-0.8 |
0.510 |
3 |
0 |
0 |
0.008 |
| 12 |
14 |
|
[PEG]C:730 |
7 |
1 |
260 |
◊ |
C |
x,y,z |
1_555 |
13 |
7 |
29649 |
127.1 |
3.0 |
0.345 |
2 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[GOL]C:710 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
29649 |
125.6 |
-0.4 |
0.550 |
3 |
0 |
0 |
0.012 |
16 |
|
[GOL]B:713 |
5 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
28891 |
116.4 |
-0.3 |
0.543 |
3 |
0 |
0 |
0.012 |
| Average: |
121.0 |
-0.4 |
0.547 |
3 |
0 |
0 |
0.012 |
| 14 |
17 |
|
[GOL]A:712 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
29046 |
122.7 |
-0.5 |
0.566 |
3 |
0 |
0 |
0.007 |
| 15 |
18 |
|
[PEG]B:726 |
7 |
1 |
258 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
28891 |
122.1 |
3.0 |
0.348 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[GOL]C:705 |
6 |
1 |
222 |
f |
A |
x,y-1,z |
1_545 |
17 |
9 |
29046 |
119.7 |
-1.0 |
0.433 |
2 |
0 |
0 |
0.007 |
| 17 |
20 |
|
[GOL]C:711 |
6 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
29649 |
118.0 |
0.5 |
0.704 |
5 |
0 |
0 |
0.007 |
| 18 |
21 |
|
[GOL]A:707 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
29046 |
116.5 |
0.4 |
0.657 |
4 |
0 |
0 |
0.005 |
| 19 |
22 |
|
[GOL]B:709 |
5 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
28891 |
116.1 |
-0.7 |
0.488 |
4 |
0 |
0 |
0.016 |
23 |
|
[GOL]C:708 |
5 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
29649 |
116.0 |
-0.6 |
0.517 |
3 |
0 |
0 |
0.016 |
| Average: |
116.1 |
-0.6 |
0.502 |
4 |
0 |
0 |
0.016 |
| 20 |
24 |
|
[EDO]B:719 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
24 |
10 |
28891 |
115.9 |
3.7 |
0.704 |
2 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[GOL]C:703 |
6 |
1 |
222 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
29649 |
115.1 |
0.7 |
0.690 |
5 |
0 |
0 |
0.007 |
| 22 |
26 |
|
C |
17 |
10 |
29649 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
16 |
9 |
29046 |
114.3 |
0.2 |
0.713 |
2 |
0 |
0 |
0.000 |
| 23 |
27 |
|
[GOL]A:715 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
29046 |
114.0 |
0.8 |
0.707 |
5 |
0 |
0 |
0.005 |
| 24 |
28 |
|
[GOL]C:706 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
29649 |
112.2 |
-0.8 |
0.499 |
2 |
0 |
0 |
0.008 |
| 25 |
29 |
|
[GOL]B:711 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
28891 |
111.3 |
0.2 |
0.641 |
5 |
0 |
0 |
0.007 |
| 26 |
30 |
|
[GOL]C:707 |
6 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
21 |
8 |
29649 |
111.1 |
-0.3 |
0.626 |
3 |
0 |
0 |
0.007 |
| 27 |
31 |
|
[EDO]C:725 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
29649 |
110.7 |
3.0 |
0.495 |
0 |
0 |
0 |
0.000 |
| 28 |
32 |
|
[GOL]B:710 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
28891 |
110.5 |
0.4 |
0.663 |
4 |
0 |
0 |
0.005 |
| 29 |
33 |
|
[GOL]C:704 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
29649 |
110.4 |
-0.5 |
0.569 |
3 |
0 |
0 |
0.008 |
| 30 |
34 |
|
[GOL]B:705 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
28891 |
110.2 |
-0.4 |
0.572 |
2 |
0 |
0 |
0.005 |
| 31 |
35 |
|
[GOL]B:714 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
28891 |
109.4 |
0.3 |
0.675 |
2 |
0 |
0 |
0.008 |
36 |
|
[GOL]A:734 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
29649 |
98.1 |
-0.2 |
0.640 |
3 |
0 |
0 |
0.008 |
| Average: |
103.8 |
0.1 |
0.657 |
3 |
0 |
0 |
0.008 |
| 32 |
37 |
|
[GOL]C:712 |
6 |
1 |
212 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
29649 |
109.1 |
0.6 |
0.807 |
4 |
0 |
0 |
0.005 |
| 33 |
38 |
|
[EDO]B:725 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
28891 |
108.2 |
2.3 |
0.420 |
2 |
0 |
0 |
0.000 |
| 34 |
39 |
|
[PEG]B:727 |
7 |
1 |
263 |
◊ |
B |
x,y,z |
1_555 |
17 |
4 |
28891 |
104.4 |
1.5 |
0.217 |
1 |
0 |
0 |
0.000 |
| 35 |
40 |
|
[GOL]B:712 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
28891 |
103.0 |
-0.4 |
0.570 |
2 |
0 |
0 |
0.005 |
| 36 |
41 |
|
[GOL]A:711 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
29046 |
101.0 |
-0.2 |
0.569 |
4 |
0 |
0 |
0.007 |
| 37 |
42 |
|
[GOL]A:708 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
29046 |
100.6 |
-1.3 |
0.410 |
3 |
0 |
0 |
0.009 |
| 38 |
43 |
|
[EDO]C:720 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
29649 |
99.5 |
2.3 |
0.271 |
1 |
0 |
0 |
0.000 |
| 39 |
44 |
|
[GOL]A:714 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
29046 |
99.1 |
0.6 |
0.675 |
2 |
0 |
0 |
0.000 |
| 40 |
45 |
|
[PEG]B:728 |
7 |
1 |
246 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
28891 |
98.2 |
1.5 |
0.265 |
6 |
0 |
0 |
0.004 |
| 41 |
46 |
|
[EDO]A:717 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
29046 |
96.2 |
2.6 |
0.480 |
2 |
0 |
0 |
0.000 |
| 42 |
47 |
|
[EDO]B:717 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
28891 |
94.6 |
3.3 |
0.556 |
4 |
0 |
0 |
0.000 |
| 43 |
48 |
|
[EDO]C:718 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
29649 |
94.2 |
3.4 |
0.560 |
3 |
0 |
0 |
0.000 |
| 44 |
49 |
|
[EDO]C:719 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
19 |
6 |
29649 |
92.9 |
2.2 |
0.449 |
1 |
0 |
0 |
0.000 |
| 45 |
50 |
|
[EDO]B:724 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
28891 |
92.9 |
2.7 |
0.308 |
5 |
0 |
0 |
0.000 |
| 46 |
51 |
|
[EDO]A:721 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
29046 |
91.4 |
2.3 |
0.256 |
0 |
0 |
0 |
0.000 |
| 47 |
52 |
|
[PEG]B:728 |
5 |
1 |
246 |
◊ |
C |
x,y,z |
1_555 |
19 |
8 |
29649 |
90.7 |
3.1 |
0.616 |
1 |
0 |
0 |
0.000 |
| 48 |
53 |
|
[GOL]B:707 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
28891 |
90.4 |
-0.7 |
0.518 |
3 |
0 |
0 |
0.015 |
54 |
|
[GOL]A:733 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
29649 |
74.8 |
-0.6 |
0.534 |
3 |
0 |
0 |
0.015 |
| Average: |
82.6 |
-0.7 |
0.526 |
3 |
0 |
0 |
0.015 |
| 49 |
55 |
|
[PEG]A:727 |
7 |
1 |
253 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
29046 |
89.6 |
1.8 |
0.259 |
1 |
0 |
0 |
0.000 |
| 50 |
56 |
|
C |
8 |
2 |
29649 |
x |
C |
x,y,z-1 |
1_554 |
10 |
3 |
29649 |
87.3 |
-1.0 |
0.418 |
1 |
2 |
0 |
0.000 |
| 51 |
57 |
|
[EDO]B:718 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
28891 |
86.5 |
1.7 |
0.254 |
4 |
0 |
0 |
0.000 |
58 |
|
[EDO]C:724 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
29649 |
84.7 |
1.8 |
0.258 |
3 |
0 |
0 |
0.000 |
| Average: |
85.6 |
1.8 |
0.256 |
4 |
0 |
0 |
0.000 |
| 52 |
59 |
|
[EDO]B:723 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
28891 |
86.4 |
2.8 |
0.498 |
1 |
0 |
0 |
0.000 |
| 53 |
60 |
|
[CO3]A:706 |
4 |
1 |
161 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
29046 |
86.1 |
1.1 |
0.640 |
2 |
0 |
0 |
0.000 |
| 54 |
61 |
|
[EDO]B:715 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
12 |
8 |
28891 |
85.1 |
2.4 |
0.285 |
0 |
0 |
0 |
0.000 |
| 55 |
62 |
|
[EDO]C:716 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
29649 |
84.2 |
1.5 |
0.231 |
1 |
0 |
0 |
0.000 |
| 56 |
63 |
|
[EDO]B:730 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
28891 |
83.9 |
2.7 |
0.479 |
1 |
0 |
0 |
0.000 |
| 57 |
64 |
|
[GOL]A:731 |
6 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
29046 |
83.4 |
0.1 |
0.662 |
2 |
0 |
0 |
0.003 |
| 58 |
65 |
|
[GOL]C:709 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
29046 |
83.2 |
-0.9 |
0.411 |
0 |
0 |
0 |
0.003 |
| 59 |
66 |
|
[GOL]A:710 |
5 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
28891 |
83.2 |
-0.8 |
0.415 |
0 |
0 |
0 |
0.006 |
67 |
|
[GOL]B:708 |
5 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
29649 |
79.1 |
-0.8 |
0.419 |
0 |
0 |
0 |
0.006 |
| Average: |
81.2 |
-0.8 |
0.417 |
0 |
0 |
0 |
0.006 |
| 60 |
68 |
|
[EDO]C:726 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
29649 |
82.8 |
2.9 |
0.494 |
0 |
0 |
0 |
0.000 |
| 61 |
69 |
|
[GOL]A:709 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
29046 |
82.8 |
-0.6 |
0.512 |
3 |
0 |
0 |
0.007 |
| 62 |
70 |
|
[GOL]A:731 |
5 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
28891 |
82.7 |
-0.2 |
0.626 |
2 |
0 |
0 |
0.004 |
| 63 |
71 |
|
[GOL]A:716 |
6 |
1 |
213 |
◊ |
B |
x,y,z |
1_555 |
13 |
7 |
28891 |
81.9 |
-1.0 |
0.440 |
0 |
0 |
0 |
0.004 |
| 64 |
72 |
|
[EDO]A:722 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
29046 |
81.5 |
2.2 |
0.292 |
1 |
0 |
0 |
0.000 |
| 65 |
73 |
|
[EDO]B:716 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
28891 |
81.5 |
2.7 |
0.304 |
2 |
0 |
0 |
0.000 |
| 66 |
74 |
|
[EDO]C:715 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
29649 |
77.1 |
2.0 |
0.297 |
3 |
0 |
0 |
0.000 |
| 67 |
75 |
|
[GOL]B:706 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
28891 |
76.9 |
-0.0 |
0.582 |
2 |
0 |
0 |
0.003 |
| 68 |
76 |
|
[EDO]C:722 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
29649 |
75.2 |
2.0 |
0.255 |
0 |
0 |
0 |
0.000 |
| 69 |
77 |
|
[EDO]A:718 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
29046 |
75.1 |
2.3 |
0.310 |
3 |
0 |
0 |
0.000 |
| 70 |
78 |
|
[GOL]C:713 |
6 |
1 |
215 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
11 |
4 |
29046 |
74.0 |
0.6 |
0.626 |
1 |
0 |
0 |
0.000 |
| 71 |
79 |
|
[EDO]A:726 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
29046 |
73.6 |
1.9 |
0.849 |
3 |
0 |
0 |
0.000 |
| 72 |
80 |
|
[EDO]C:727 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
29649 |
72.8 |
2.7 |
0.314 |
1 |
0 |
0 |
0.000 |
| 73 |
81 |
|
[EDO]A:724 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
2 |
29046 |
71.9 |
2.1 |
0.296 |
0 |
0 |
0 |
0.000 |
| 74 |
82 |
|
[GOL]B:707 |
5 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
14 |
3 |
29649 |
71.4 |
-0.4 |
0.548 |
0 |
0 |
0 |
0.005 |
83 |
|
[GOL]A:733 |
5 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
29046 |
62.4 |
-0.5 |
0.534 |
1 |
0 |
0 |
0.005 |
| Average: |
66.9 |
-0.4 |
0.541 |
1 |
0 |
0 |
0.005 |
| 75 |
84 |
|
[EDO]C:723 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
29649 |
71.4 |
1.3 |
0.197 |
0 |
0 |
0 |
0.000 |
| 76 |
85 |
|
[CO3]A:705 |
4 |
1 |
160 |
◊ |
A |
x,y,z |
1_555 |
11 |
7 |
29046 |
71.3 |
1.4 |
0.705 |
3 |
0 |
0 |
0.000 |
| 77 |
86 |
|
[EDO]A:719 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
29046 |
70.8 |
1.2 |
0.771 |
0 |
0 |
0 |
0.000 |
| 78 |
87 |
|
[EDO]A:735 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
29046 |
70.6 |
2.2 |
0.284 |
1 |
0 |
0 |
0.000 |
| 79 |
88 |
|
[EDO]A:735 |
3 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
29649 |
68.1 |
1.7 |
0.305 |
2 |
0 |
0 |
0.000 |
| 80 |
89 |
|
A |
11 |
5 |
29046 |
x |
A |
-x,y-1/2,-z |
2_545 |
4 |
1 |
29046 |
67.9 |
1.6 |
0.903 |
4 |
0 |
0 |
0.000 |
| 81 |
90 |
|
[GOL]A:709 |
5 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
28891 |
67.5 |
-0.6 |
0.506 |
0 |
0 |
0 |
0.002 |
| 82 |
91 |
|
[CL]C:702 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
29649 |
67.4 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.100 |
92 |
|
[CL]A:701 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
29046 |
67.3 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.100 |
93 |
|
[CL]B:702 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
28891 |
66.6 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.100 |
| Average: |
67.1 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.100 |
| 83 |
94 |
|
[EDO]A:725 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
28891 |
67.4 |
1.7 |
0.236 |
0 |
0 |
0 |
0.000 |
| 84 |
95 |
|
[EDO]C:728 |
3 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
29649 |
66.8 |
2.2 |
0.571 |
0 |
0 |
0 |
0.000 |
| 85 |
96 |
|
[EDO]C:721 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
29649 |
66.1 |
1.6 |
0.861 |
2 |
0 |
0 |
0.000 |
| 86 |
97 |
|
[EDO]C:717 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
29649 |
65.8 |
1.3 |
0.650 |
0 |
0 |
0 |
0.000 |
| 87 |
98 |
|
[NA]A:702 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
29046 |
65.6 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.063 |
99 |
|
[NA]B:704 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
28891 |
65.3 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.063 |
| Average: |
65.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.063 |
| 88 |
100 |
|
[CO3]B:701 |
4 |
1 |
159 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
28891 |
65.1 |
-0.1 |
0.455 |
3 |
0 |
0 |
0.005 |
| 89 |
101 |
|
[GOL]C:713 |
4 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
29649 |
65.0 |
-0.5 |
0.510 |
2 |
0 |
0 |
0.006 |
| 90 |
102 |
|
[EDO]A:720 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
29046 |
64.2 |
0.7 |
0.526 |
1 |
0 |
0 |
0.000 |
| 91 |
103 |
|
[GOL]A:716 |
4 |
1 |
213 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
29046 |
64.2 |
-0.5 |
0.532 |
1 |
0 |
0 |
0.003 |
| 92 |
104 |
|
[EDO]C:727 |
4 |
1 |
185 |
f |
A |
-x,y-1/2,-z+1 |
2_546 |
8 |
3 |
29046 |
64.1 |
0.8 |
0.548 |
2 |
0 |
0 |
0.000 |
| 93 |
105 |
|
C |
10 |
6 |
29649 |
f |
[NA]A:703 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
125 |
62.7 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.036 |
| 94 |
106 |
|
[GOL]B:708 |
4 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
28891 |
62.0 |
0.8 |
0.667 |
2 |
0 |
0 |
0.000 |
107 |
|
[GOL]A:710 |
4 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
29046 |
61.8 |
0.9 |
0.768 |
1 |
0 |
0 |
0.000 |
| Average: |
61.9 |
0.8 |
0.717 |
2 |
0 |
0 |
0.000 |
| 95 |
108 |
|
[EDO]B:720 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
29649 |
61.9 |
1.0 |
0.694 |
0 |
0 |
0 |
0.000 |
| 96 |
109 |
|
[CL]B:703 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
28891 |
61.9 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.037 |
| 97 |
110 |
|
[GOL]A:734 |
4 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
29046 |
61.8 |
-0.6 |
0.472 |
1 |
0 |
0 |
0.007 |
111 |
|
[GOL]B:714 |
4 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
29649 |
59.5 |
-0.4 |
0.539 |
1 |
0 |
0 |
0.007 |
| Average: |
60.7 |
-0.5 |
0.505 |
1 |
0 |
0 |
0.007 |
| 98 |
112 |
|
[GOL]C:709 |
5 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
29649 |
59.5 |
0.9 |
0.673 |
2 |
0 |
0 |
0.000 |
| 99 |
113 |
|
C |
8 |
5 |
29649 |
x |
C |
-x,y-1/2,-z+1 |
2_546 |
7 |
2 |
29649 |
59.2 |
-0.7 |
0.448 |
0 |
0 |
0 |
0.000 |
| 100 |
114 |
|
[EDO]B:721 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
28891 |
59.1 |
0.7 |
0.552 |
1 |
0 |
0 |
0.000 |
| 101 |
115 |
|
[EDO]C:724 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
4 |
28891 |
58.4 |
1.4 |
0.852 |
1 |
0 |
0 |
0.000 |
116 |
|
[EDO]B:718 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
3 |
3 |
29046 |
56.3 |
1.2 |
0.779 |
1 |
0 |
0 |
0.000 |
| Average: |
57.3 |
1.3 |
0.815 |
1 |
0 |
0 |
0.000 |
| 102 |
117 |
|
[PO4]A:732 |
4 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
29649 |
58.2 |
-2.0 |
0.880 |
3 |
0 |
0 |
0.012 |
| 103 |
118 |
|
C |
6 |
1 |
29649 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
8 |
2 |
29046 |
57.3 |
0.0 |
0.598 |
0 |
0 |
0 |
0.000 |
| 104 |
119 |
|
[GOL]A:711 |
5 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
4 |
4 |
29649 |
57.2 |
-0.1 |
0.617 |
1 |
0 |
0 |
0.002 |
| 105 |
120 |
|
[PO4]A:732 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
28891 |
57.1 |
-2.0 |
0.958 |
3 |
0 |
0 |
0.012 |
| 106 |
121 |
|
[PO4]A:732 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
29046 |
57.1 |
-2.0 |
0.951 |
3 |
0 |
0 |
0.012 |
| 107 |
122 |
|
[PO4]A:730 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
29046 |
57.0 |
-3.7 |
0.633 |
0 |
0 |
0 |
0.014 |
| 108 |
123 |
|
[EDO]A:723 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
29046 |
56.1 |
1.2 |
0.771 |
2 |
0 |
0 |
0.000 |
| 109 |
124 |
|
[CL]C:701 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
29649 |
56.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.054 |
125 |
|
[CL]B:729 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
28891 |
55.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.054 |
| Average: |
55.5 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.054 |
| 110 |
126 |
|
[EDO]C:729 |
4 |
1 |
185 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
11 |
3 |
28891 |
56.0 |
0.9 |
0.647 |
0 |
0 |
0 |
0.000 |
| 111 |
127 |
|
[EDO]B:722 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
28891 |
55.5 |
1.1 |
0.233 |
0 |
0 |
0 |
0.000 |
| 112 |
128 |
|
[EDO]C:714 |
3 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
29649 |
53.5 |
0.8 |
0.621 |
0 |
0 |
0 |
0.000 |
| 113 |
129 |
|
[EDO]A:723 |
3 |
1 |
184 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
7 |
2 |
29046 |
52.8 |
1.4 |
0.882 |
2 |
0 |
0 |
0.000 |
| 114 |
130 |
|
C |
7 |
4 |
29649 |
◊ |
[GOL]A:708 |
-x,y-1/2,-z |
2_545 |
5 |
1 |
220 |
52.1 |
0.5 |
0.675 |
1 |
0 |
0 |
0.000 |
| 115 |
131 |
|
A |
8 |
4 |
29046 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
3 |
28891 |
51.1 |
-1.2 |
0.329 |
0 |
0 |
0 |
0.000 |
| 116 |
132 |
|
[GOL]C:703 |
5 |
1 |
222 |
◊ |
A |
x,y-1,z |
1_545 |
7 |
2 |
29046 |
50.8 |
-0.6 |
0.447 |
0 |
0 |
0 |
0.000 |
| 117 |
133 |
|
[GOL]C:705 |
4 |
1 |
222 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
29649 |
50.3 |
0.4 |
0.698 |
2 |
0 |
0 |
0.000 |
| 118 |
134 |
|
C |
7 |
3 |
29649 |
f |
[GOL]A:714 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
219 |
49.8 |
-0.3 |
0.522 |
0 |
0 |
0 |
0.002 |
| 119 |
135 |
|
[EDO]B:730 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
29649 |
46.7 |
1.0 |
0.893 |
2 |
0 |
0 |
0.000 |
| 120 |
136 |
|
[EDO]C:729 |
4 |
1 |
185 |
◊ |
[EDO]B:721 |
x,y,z |
1_555 |
4 |
1 |
185 |
45.4 |
2.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 121 |
137 |
|
[EDO]C:728 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
29046 |
44.6 |
0.6 |
0.594 |
0 |
0 |
0 |
0.000 |
| 122 |
138 |
|
[EDO]C:722 |
3 |
1 |
184 |
◊ |
[EDO]C:721 |
x,y,z |
1_555 |
3 |
1 |
185 |
44.1 |
2.3 |
1.000 |
0 |
0 |
0 |
0.000 |
| 123 |
139 |
|
[CL]B:729 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
29649 |
43.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.036 |
140 |
|
[CL]C:701 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
29046 |
43.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.036 |
| Average: |
43.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.036 |
| 124 |
141 |
|
[EDO]A:720 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
8 |
1 |
28891 |
42.5 |
0.6 |
0.597 |
0 |
0 |
0 |
0.000 |
| 125 |
142 |
|
[GOL]B:706 |
4 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
29046 |
42.0 |
-0.3 |
0.502 |
0 |
0 |
0 |
0.001 |
| 126 |
143 |
|
[CO3]A:705 |
3 |
1 |
160 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
28891 |
41.3 |
-0.0 |
0.284 |
0 |
0 |
0 |
0.000 |
| 127 |
144 |
|
[GOL]A:713 |
3 |
1 |
220 |
f |
[GOL]A:712 |
x,y,z |
1_555 |
3 |
1 |
220 |
40.8 |
-0.6 |
0.415 |
0 |
0 |
0 |
0.002 |
| 128 |
145 |
|
[EDO]B:721 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
8 |
1 |
29649 |
38.5 |
0.9 |
0.581 |
0 |
0 |
0 |
0.000 |
| 129 |
146 |
|
[EDO]C:729 |
3 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
29649 |
38.0 |
0.8 |
0.704 |
1 |
0 |
0 |
0.000 |
| 130 |
147 |
|
[EDO]A:725 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
29649 |
37.4 |
0.8 |
0.798 |
0 |
0 |
0 |
0.000 |
| 131 |
148 |
|
[EDO]B:723 |
3 |
1 |
186 |
f |
[EDO]B:717 |
x,y,z |
1_555 |
3 |
1 |
184 |
36.8 |
1.4 |
1.000 |
1 |
0 |
0 |
0.000 |
| 132 |
149 |
|
[EDO]A:724 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
28891 |
35.6 |
0.8 |
0.828 |
1 |
0 |
0 |
0.000 |
| 133 |
150 |
|
[NA]A:703 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
29046 |
35.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 134 |
151 |
|
[EDO]B:720 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
29046 |
35.0 |
0.8 |
0.806 |
1 |
0 |
0 |
0.000 |
| 135 |
152 |
|
[GOL]C:707 |
2 |
1 |
216 |
f |
[GOL]B:708 |
x,y,z |
1_555 |
2 |
1 |
220 |
34.9 |
-0.1 |
0.583 |
0 |
0 |
0 |
0.000 |
| 136 |
153 |
|
[EDO]C:719 |
2 |
1 |
185 |
f |
[EDO]C:716 |
x,y,z |
1_555 |
2 |
1 |
184 |
34.8 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 137 |
154 |
|
[PEG]C:730 |
2 |
1 |
260 |
◊ |
[EDO]C:722 |
x,y,z |
1_555 |
3 |
1 |
184 |
32.9 |
0.8 |
0.452 |
0 |
0 |
0 |
0.000 |
| 138 |
155 |
|
[GOL]B:710 |
4 |
1 |
219 |
◊ |
[GOL]A:716 |
x,y,z |
1_555 |
5 |
1 |
213 |
32.5 |
-0.1 |
0.639 |
1 |
0 |
0 |
0.002 |
| 139 |
156 |
|
[MG]A:704 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
28891 |
32.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.032 |
157 |
|
[MG]A:704 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
29046 |
31.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.032 |
158 |
|
[MG]A:704 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
29649 |
31.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.032 |
| Average: |
31.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.032 |
| 140 |
159 |
|
[EDO]B:720 |
2 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
28891 |
32.1 |
1.2 |
0.958 |
0 |
0 |
0 |
0.000 |
| 141 |
160 |
|
[EDO]C:715 |
2 |
1 |
183 |
f |
[GOL]A:733 |
x,y,z |
1_555 |
4 |
1 |
217 |
31.5 |
1.0 |
0.833 |
2 |
0 |
0 |
0.000 |
161 |
|
[EDO]A:726 |
2 |
1 |
183 |
f |
[GOL]A:709 |
x,y,z |
1_555 |
3 |
1 |
218 |
31.1 |
0.8 |
0.833 |
2 |
0 |
0 |
0.000 |
| Average: |
31.3 |
0.9 |
0.833 |
2 |
0 |
0 |
0.000 |
| 142 |
162 |
|
[GOL]C:709 |
3 |
1 |
219 |
f |
[GOL]A:715 |
x,y,z |
1_555 |
2 |
1 |
219 |
31.3 |
-0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
| 143 |
163 |
|
[EDO]C:715 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
29046 |
30.9 |
0.4 |
0.540 |
0 |
0 |
0 |
0.000 |
| 144 |
164 |
|
[GOL]B:705 |
2 |
1 |
218 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
28891 |
30.5 |
-0.4 |
0.402 |
0 |
0 |
0 |
0.000 |
| 145 |
165 |
|
[PEG]A:728 |
2 |
1 |
252 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
29649 |
30.1 |
-0.4 |
0.301 |
1 |
0 |
0 |
0.004 |
| 146 |
166 |
|
[GOL]B:711 |
3 |
1 |
217 |
f |
[GOL]A:710 |
x,y,z |
1_555 |
3 |
1 |
219 |
29.8 |
0.2 |
0.559 |
1 |
0 |
0 |
0.000 |
| 147 |
167 |
|
[PGE]A:729 |
4 |
1 |
334 |
f |
[CO3]A:706 |
x,y,z |
1_555 |
3 |
1 |
161 |
28.3 |
-0.3 |
0.050 |
1 |
0 |
0 |
0.003 |
| 148 |
168 |
|
[EDO]B:715 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
29046 |
28.3 |
0.4 |
0.783 |
0 |
0 |
0 |
0.000 |
| 149 |
169 |
|
[PO4]A:730 |
3 |
1 |
188 |
f |
[GOL]A:716 |
x,y,z |
1_555 |
4 |
1 |
213 |
28.0 |
-1.7 |
0.741 |
0 |
0 |
0 |
0.006 |
| 150 |
170 |
|
[GOL]C:713 |
2 |
1 |
215 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
29046 |
27.2 |
0.2 |
0.723 |
1 |
0 |
0 |
0.000 |
| 151 |
171 |
|
[EDO]C:725 |
2 |
1 |
185 |
f |
[GOL]A:734 |
x,y,z |
1_555 |
4 |
1 |
217 |
26.9 |
0.4 |
0.804 |
1 |
0 |
0 |
0.000 |
| 152 |
172 |
|
[EDO]C:729 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
28891 |
26.3 |
0.4 |
0.505 |
0 |
0 |
0 |
0.000 |
| 153 |
173 |
|
[EDO]C:714 |
3 |
1 |
184 |
f |
[GOL]A:707 |
x,y,z |
1_555 |
3 |
1 |
221 |
25.9 |
0.1 |
0.635 |
0 |
0 |
0 |
0.000 |
| 154 |
174 |
|
[EDO]A:726 |
2 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
28891 |
25.8 |
0.2 |
0.415 |
0 |
0 |
0 |
0.000 |
| 155 |
175 |
|
[GOL]C:712 |
4 |
1 |
212 |
f |
[GOL]C:710 |
x,y,z |
1_555 |
3 |
1 |
220 |
25.7 |
0.2 |
0.618 |
1 |
0 |
0 |
0.001 |
| 156 |
176 |
|
B |
3 |
1 |
28891 |
◊ |
[GOL]B:713 |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
219 |
25.4 |
-0.2 |
0.352 |
0 |
0 |
0 |
0.000 |
| 157 |
177 |
|
[PEG]C:730 |
2 |
1 |
260 |
f |
[EDO]C:726 |
x,y,z |
1_555 |
1 |
1 |
184 |
25.1 |
1.1 |
0.319 |
0 |
0 |
0 |
0.000 |
| 158 |
178 |
|
[EDO]C:728 |
4 |
1 |
184 |
f |
[EDO]C:720 |
x,y,z |
1_555 |
4 |
1 |
182 |
23.9 |
0.8 |
1.000 |
1 |
0 |
0 |
0.000 |
| 159 |
179 |
|
[EDO]C:728 |
3 |
1 |
184 |
f |
[GOL]A:733 |
x,y,z |
1_555 |
2 |
1 |
217 |
23.9 |
0.7 |
0.601 |
0 |
0 |
0 |
0.000 |
| 160 |
180 |
|
[EDO]A:721 |
3 |
1 |
185 |
f |
[EDO]A:719 |
x,y,z |
1_555 |
2 |
1 |
185 |
22.8 |
0.7 |
1.000 |
1 |
0 |
0 |
0.000 |
| 161 |
181 |
|
[EDO]C:714 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
29046 |
22.7 |
0.9 |
0.916 |
0 |
0 |
0 |
0.000 |
| 162 |
182 |
|
[EDO]B:730 |
2 |
1 |
185 |
f |
[CL]B:703 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.006 |
| 163 |
183 |
|
[GOL]A:707 |
2 |
1 |
221 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
29649 |
21.8 |
-0.0 |
0.471 |
0 |
0 |
0 |
0.000 |
| 164 |
184 |
|
[PEG]B:727 |
2 |
1 |
263 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
29649 |
21.6 |
0.8 |
0.498 |
0 |
0 |
0 |
0.000 |
| 165 |
185 |
|
[EDO]A:725 |
2 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
29046 |
21.6 |
0.6 |
0.963 |
1 |
0 |
0 |
0.000 |
| 166 |
186 |
|
[GOL]A:731 |
3 |
1 |
216 |
◊ |
[GOL]A:709 |
x,y,z |
1_555 |
2 |
1 |
218 |
21.5 |
0.4 |
0.750 |
1 |
0 |
0 |
0.000 |
| 167 |
187 |
|
[EDO]B:724 |
2 |
1 |
185 |
f |
[GOL]B:713 |
x,y,z |
1_555 |
2 |
1 |
219 |
21.3 |
0.6 |
0.833 |
1 |
0 |
0 |
0.000 |
| 168 |
188 |
|
[PEG]B:728 |
3 |
1 |
246 |
f |
[GOL]B:707 |
x,y,z |
1_555 |
1 |
1 |
216 |
21.1 |
0.9 |
0.348 |
0 |
0 |
0 |
0.000 |
| 169 |
189 |
|
[PEG]A:727 |
2 |
1 |
253 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
29649 |
20.7 |
0.2 |
0.309 |
1 |
0 |
0 |
0.000 |
| 170 |
190 |
|
[EDO]C:724 |
3 |
1 |
185 |
◊ |
[EDO]B:721 |
x,y,z |
1_555 |
2 |
1 |
185 |
20.3 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
| 171 |
191 |
|
[EDO]B:722 |
2 |
1 |
184 |
f |
[GOL]C:711 |
x,y,z |
1_555 |
3 |
1 |
214 |
20.3 |
0.1 |
0.707 |
0 |
0 |
0 |
0.000 |
| 172 |
192 |
|
C |
2 |
1 |
29649 |
◊ |
[CO3]B:701 |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
159 |
19.7 |
-0.1 |
0.496 |
0 |
0 |
0 |
0.000 |
| 173 |
193 |
|
[PO4]A:730 |
4 |
1 |
188 |
◊ |
[GOL]B:710 |
x,y,z |
1_555 |
4 |
1 |
219 |
19.7 |
-1.1 |
0.685 |
0 |
0 |
0 |
0.004 |
| 174 |
194 |
|
[GOL]B:710 |
2 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
29046 |
19.2 |
-0.1 |
0.489 |
0 |
0 |
0 |
0.000 |
| 175 |
195 |
|
C |
2 |
1 |
29649 |
◊ |
[GOL]B:712 |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
216 |
18.9 |
0.1 |
0.518 |
0 |
0 |
0 |
0.000 |
| 176 |
196 |
|
[EDO]C:720 |
2 |
1 |
182 |
◊ |
[EDO]C:714 |
x,y,z |
1_555 |
2 |
1 |
184 |
18.4 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 177 |
197 |
|
[EDO]B:722 |
2 |
1 |
184 |
◊ |
[GOL]B:705 |
x,y,z |
1_555 |
2 |
1 |
218 |
17.9 |
0.8 |
0.866 |
0 |
0 |
0 |
0.000 |
| 178 |
198 |
|
[EDO]A:735 |
2 |
1 |
182 |
f |
[GOL]A:733 |
x,y,z |
1_555 |
2 |
1 |
217 |
17.7 |
0.7 |
0.866 |
0 |
0 |
0 |
0.000 |
| 179 |
199 |
|
[EDO]B:718 |
3 |
1 |
184 |
◊ |
[EDO]A:720 |
x,y,z |
1_555 |
1 |
1 |
184 |
16.8 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
| 180 |
200 |
|
[EDO]C:723 |
1 |
1 |
183 |
f |
[GOL]B:708 |
x,y,z |
1_555 |
3 |
1 |
220 |
16.4 |
0.4 |
0.479 |
0 |
0 |
0 |
0.000 |
| 181 |
201 |
|
[PEG]A:727 |
2 |
1 |
253 |
f |
[EDO]C:725 |
x,y,z |
1_555 |
3 |
1 |
185 |
15.9 |
0.1 |
0.319 |
0 |
0 |
0 |
0.000 |
| 182 |
202 |
|
[PO4]A:730 |
2 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
28891 |
15.6 |
-0.6 |
0.887 |
0 |
0 |
0 |
0.002 |
| 183 |
203 |
|
[GOL]C:711 |
3 |
1 |
214 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
28891 |
14.6 |
-0.4 |
0.381 |
0 |
0 |
0 |
0.001 |
| 184 |
204 |
|
[EDO]C:723 |
2 |
1 |
183 |
f |
[GOL]C:707 |
x,y,z |
1_555 |
2 |
1 |
216 |
14.6 |
0.1 |
0.764 |
0 |
0 |
0 |
0.000 |
| 185 |
205 |
|
[EDO]B:722 |
2 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
29649 |
14.6 |
0.4 |
0.877 |
0 |
0 |
0 |
0.000 |
| 186 |
206 |
|
[EDO]C:725 |
2 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
29046 |
13.2 |
0.4 |
0.952 |
0 |
0 |
0 |
0.000 |
| 187 |
207 |
|
[EDO]C:721 |
2 |
1 |
185 |
◊ |
[GOL]C:708 |
x,y,z |
1_555 |
1 |
1 |
219 |
12.6 |
0.4 |
0.707 |
0 |
0 |
0 |
0.000 |
| 188 |
208 |
|
C |
1 |
1 |
29649 |
◊ |
[PEG]A:728 |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
252 |
10.7 |
0.4 |
0.324 |
0 |
0 |
0 |
0.000 |
| 189 |
209 |
|
[EDO]C:717 |
1 |
1 |
186 |
f |
A |
x,y-1,z |
1_545 |
1 |
1 |
29046 |
10.4 |
0.2 |
0.912 |
0 |
0 |
0 |
0.000 |
| 190 |
210 |
|
[EDO]B:730 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
29046 |
10.1 |
0.3 |
0.915 |
0 |
0 |
0 |
0.000 |
| 191 |
211 |
|
[GOL]B:713 |
3 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
29046 |
9.7 |
-0.1 |
0.531 |
0 |
0 |
0 |
0.000 |
| 192 |
212 |
|
B |
4 |
2 |
28891 |
◊ |
[EDO]B:724 |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
185 |
9.6 |
0.2 |
0.748 |
0 |
0 |
0 |
0.000 |
| 193 |
213 |
|
C |
1 |
1 |
29649 |
◊ |
[PGE]A:729 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
334 |
8.3 |
0.2 |
0.492 |
0 |
0 |
0 |
0.000 |
| 194 |
214 |
|
B |
2 |
2 |
28891 |
f |
[EDO]B:716 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
184 |
7.7 |
0.1 |
0.826 |
0 |
0 |
0 |
0.000 |
| 195 |
215 |
|
[GOL]B:705 |
2 |
1 |
218 |
◊ |
[CO3]B:701 |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
159 |
7.5 |
0.0 |
0.302 |
0 |
0 |
0 |
0.000 |
| 196 |
216 |
|
[EDO]B:715 |
1 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
29649 |
4.8 |
-0.0 |
0.745 |
0 |
0 |
0 |
0.000 |
| 197 |
217 |
|
[EDO]C:722 |
1 |
1 |
184 |
f |
[GOL]C:708 |
x,y,z |
1_555 |
2 |
1 |
219 |
3.9 |
0.1 |
0.764 |
0 |
0 |
0 |
0.000 |
| 198 |
218 |
|
[EDO]A:722 |
1 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
28891 |
3.5 |
0.1 |
0.766 |
0 |
0 |
0 |
0.000 |
| 199 |
219 |
|
[PEG]C:730 |
1 |
1 |
260 |
f |
[EDO]C:721 |
x,y,z |
1_555 |
1 |
1 |
185 |
3.0 |
-0.0 |
0.535 |
0 |
0 |
0 |
0.000 |
| 200 |
220 |
|
[EDO]B:721 |
2 |
1 |
185 |
f |
B |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
28891 |
3.0 |
0.0 |
0.722 |
0 |
0 |
0 |
0.000 |
| 201 |
221 |
|
A |
1 |
1 |
29046 |
◊ |
[GOL]A:714 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
219 |
2.9 |
0.1 |
0.639 |
0 |
0 |
0 |
0.000 |
| 202 |
222 |
|
[PEG]A:727 |
1 |
1 |
253 |
f |
[GOL]A:734 |
x,y,z |
1_555 |
1 |
1 |
217 |
2.8 |
-0.0 |
0.267 |
0 |
0 |
0 |
0.000 |
| 203 |
223 |
|
C |
1 |
1 |
29649 |
f |
[EDO]A:718 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
184 |
2.6 |
0.1 |
0.853 |
0 |
0 |
0 |
0.000 |
| 204 |
224 |
|
[GOL]B:705 |
1 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
29649 |
1.3 |
-0.0 |
0.504 |
0 |
0 |
0 |
0.000 |
| 205 |
225 |
|
[EDO]C:728 |
1 |
1 |
184 |
f |
[EDO]C:715 |
x,y,z |
1_555 |
1 |
1 |
183 |
0.7 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
| 206 |
226 |
|
[EDO]C:721 |
1 |
1 |
185 |
f |
A |
x,y-1,z |
1_545 |
1 |
1 |
29046 |
0.3 |
0.0 |
0.768 |
0 |
0 |
0 |
0.000 |
|