| ## |
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 |
|
D |
190 |
51 |
14426 |
◊ |
B |
x,y,z |
1_555 |
181 |
48 |
14744 |
1620.4 |
-11.5 |
0.235 |
17 |
7 |
0 |
0.096 |
2 |
|
H |
177 |
46 |
14506 |
◊ |
F |
x,y,z |
1_555 |
183 |
50 |
14280 |
1598.2 |
-11.8 |
0.229 |
20 |
9 |
0 |
0.096 |
| Average: |
1609.3 |
-11.6 |
0.232 |
19 |
8 |
0 |
0.096 |
| 2 |
3 |
|
B |
134 |
37 |
14744 |
◊ |
A |
x,y,z |
1_555 |
135 |
43 |
10813 |
1246.4 |
-3.3 |
0.621 |
24 |
13 |
0 |
0.140 |
4 |
|
H |
125 |
34 |
14506 |
◊ |
G |
x,y,z |
1_555 |
132 |
40 |
10792 |
1211.5 |
-3.3 |
0.615 |
23 |
11 |
0 |
0.140 |
5 |
|
F |
126 |
35 |
14280 |
◊ |
E |
x,y,z |
1_555 |
121 |
38 |
10920 |
1207.5 |
-5.7 |
0.425 |
23 |
11 |
0 |
0.140 |
6 |
|
D |
124 |
33 |
14426 |
◊ |
C |
x,y,z |
1_555 |
121 |
36 |
10966 |
1166.1 |
-2.9 |
0.580 |
27 |
13 |
0 |
0.140 |
| Average: |
1207.9 |
-3.8 |
0.560 |
24 |
12 |
0 |
0.140 |
| 3 |
7 |
|
H |
42 |
18 |
14506 |
◊ |
B |
x,y,z |
1_555 |
46 |
19 |
14744 |
393.5 |
-5.8 |
0.143 |
0 |
0 |
0 |
0.009 |
| 4 |
8 |
|
H |
34 |
11 |
14506 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
41 |
15 |
14426 |
367.2 |
2.2 |
0.761 |
6 |
9 |
0 |
0.000 |
9 |
|
F |
32 |
12 |
14280 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
28 |
10 |
14744 |
247.2 |
0.5 |
0.694 |
5 |
7 |
0 |
0.000 |
| Average: |
307.2 |
1.3 |
0.727 |
6 |
8 |
0 |
0.000 |
| 5 |
10 |
|
F |
44 |
13 |
14280 |
◊ |
D |
x,y,z |
1_555 |
43 |
12 |
14426 |
346.7 |
2.3 |
0.855 |
4 |
4 |
0 |
0.000 |
| 6 |
11 |
|
G |
32 |
10 |
10792 |
◊ |
A |
x-1,y,z |
1_455 |
34 |
11 |
10813 |
322.2 |
-2.3 |
0.407 |
3 |
0 |
0 |
0.008 |
| 7 |
12 |
|
F |
33 |
12 |
14280 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
31 |
10 |
10813 |
280.8 |
0.1 |
0.511 |
4 |
0 |
0 |
0.004 |
| 8 |
13 |
|
[PZV]B:501 |
22 |
1 |
515 |
◊ |
B |
x,y,z |
1_555 |
43 |
16 |
14744 |
269.9 |
-1.9 |
0.371 |
0 |
0 |
0 |
0.015 |
14 |
|
[PZV]F:802 |
23 |
1 |
516 |
◊ |
F |
x,y,z |
1_555 |
42 |
15 |
14280 |
269.6 |
-1.9 |
0.361 |
0 |
0 |
0 |
0.015 |
15 |
|
[PZV]H:502 |
22 |
1 |
516 |
◊ |
H |
x,y,z |
1_555 |
42 |
16 |
14506 |
267.9 |
-1.9 |
0.371 |
0 |
0 |
0 |
0.015 |
16 |
|
[PZV]D:501 |
23 |
1 |
518 |
◊ |
D |
x,y,z |
1_555 |
41 |
15 |
14426 |
267.7 |
-1.8 |
0.354 |
0 |
0 |
0 |
0.015 |
| Average: |
268.7 |
-1.9 |
0.364 |
0 |
0 |
0 |
0.015 |
| 9 |
17 |
|
H |
26 |
6 |
14506 |
◊ |
D |
x,y,z |
1_555 |
27 |
8 |
14426 |
248.0 |
-0.4 |
0.302 |
1 |
0 |
0 |
0.003 |
18 |
|
F |
23 |
7 |
14280 |
◊ |
B |
x,y,z |
1_555 |
24 |
6 |
14744 |
217.6 |
-0.9 |
0.256 |
1 |
0 |
0 |
0.003 |
| Average: |
232.8 |
-0.6 |
0.279 |
1 |
0 |
0 |
0.003 |
| 10 |
19 |
|
C |
33 |
10 |
10966 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
30 |
12 |
10792 |
241.7 |
1.6 |
0.785 |
6 |
6 |
0 |
0.009 |
| 11 |
20 |
|
B |
22 |
8 |
14744 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
24 |
9 |
10966 |
221.0 |
-1.5 |
0.343 |
0 |
0 |
0 |
0.003 |
21 |
|
E |
15 |
5 |
10920 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
18 |
7 |
14506 |
151.0 |
-0.6 |
0.419 |
1 |
0 |
0 |
0.003 |
| Average: |
186.0 |
-1.0 |
0.381 |
1 |
0 |
0 |
0.003 |
| 12 |
22 |
|
E |
21 |
8 |
10920 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
24 |
8 |
14744 |
214.6 |
2.3 |
0.858 |
4 |
1 |
0 |
0.002 |
23 |
|
H |
22 |
8 |
14506 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
15 |
6 |
10966 |
180.9 |
0.7 |
0.660 |
5 |
1 |
0 |
0.002 |
| Average: |
197.7 |
1.5 |
0.759 |
5 |
1 |
0 |
0.002 |
| 13 |
24 |
|
H |
29 |
8 |
14506 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
26 |
9 |
14744 |
189.7 |
-0.4 |
0.608 |
3 |
0 |
0 |
0.000 |
| 14 |
25 |
|
[EPE]H:532 |
14 |
1 |
404 |
◊ |
H |
x,y,z |
1_555 |
27 |
9 |
14506 |
173.1 |
4.0 |
0.052 |
0 |
0 |
0 |
0.000 |
| 15 |
26 |
|
[PGE]F:809 |
8 |
1 |
301 |
f |
F |
x,y,z |
1_555 |
21 |
7 |
14280 |
160.2 |
3.7 |
0.343 |
0 |
0 |
0 |
0.000 |
| 16 |
27 |
|
F |
17 |
5 |
14280 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
17 |
5 |
14426 |
159.1 |
0.1 |
0.661 |
0 |
0 |
0 |
0.000 |
| 17 |
28 |
|
[EPE]B:527 |
13 |
1 |
399 |
◊ |
B |
x,y,z |
1_555 |
22 |
8 |
14744 |
156.9 |
3.5 |
0.061 |
0 |
0 |
0 |
0.000 |
| 18 |
29 |
|
[PGE]F:801 |
10 |
1 |
328 |
◊ |
D |
x,y,z |
1_555 |
19 |
7 |
14426 |
152.2 |
4.8 |
0.321 |
2 |
0 |
0 |
0.000 |
| 19 |
30 |
|
[PEG]B:506 |
7 |
1 |
259 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
14744 |
144.9 |
2.9 |
0.346 |
2 |
0 |
0 |
0.000 |
| 20 |
31 |
|
[PEG]H:513 |
7 |
1 |
255 |
◊ |
H |
x,y,z |
1_555 |
24 |
10 |
14506 |
141.4 |
3.9 |
0.463 |
3 |
0 |
0 |
0.000 |
| 21 |
32 |
|
[MLI]E:302 |
7 |
1 |
223 |
f |
E |
x,y,z |
1_555 |
25 |
13 |
10920 |
137.2 |
3.1 |
0.224 |
5 |
0 |
0 |
0.000 |
| 22 |
33 |
|
[MLI]G:311 |
7 |
1 |
226 |
f |
G |
x,y,z |
1_555 |
25 |
13 |
10792 |
136.9 |
3.1 |
0.225 |
5 |
0 |
0 |
0.000 |
| 23 |
34 |
|
[EPE]F:830 |
12 |
1 |
398 |
f |
H |
x,y,z |
1_555 |
18 |
7 |
14506 |
135.3 |
1.1 |
0.020 |
1 |
0 |
0 |
0.000 |
| 24 |
35 |
|
[MLI]C:307 |
7 |
1 |
225 |
f |
C |
x,y,z |
1_555 |
25 |
13 |
10966 |
133.9 |
3.1 |
0.182 |
6 |
0 |
0 |
0.000 |
36 |
|
[MLI]A:311 |
7 |
1 |
225 |
f |
A |
x,y,z |
1_555 |
25 |
13 |
10813 |
132.6 |
3.0 |
0.223 |
4 |
0 |
0 |
0.000 |
| Average: |
133.3 |
3.0 |
0.202 |
5 |
0 |
0 |
0.000 |
| 25 |
37 |
|
[EPE]B:530 |
10 |
1 |
403 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
14744 |
128.2 |
1.5 |
0.066 |
2 |
0 |
0 |
0.000 |
| 26 |
38 |
|
[K]D:519 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
18 |
12 |
14426 |
127.3 |
-108.1 |
0.000 |
0 |
0 |
0 |
0.322 |
| 27 |
39 |
|
[EPE]B:530 |
10 |
1 |
403 |
◊ |
D |
x,y,z |
1_555 |
22 |
7 |
14426 |
124.1 |
3.1 |
0.154 |
1 |
0 |
0 |
0.000 |
| 28 |
40 |
|
[K]H:531 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
16 |
10 |
14506 |
121.6 |
-108.1 |
0.000 |
0 |
0 |
0 |
0.944 |
41 |
|
[K]B:525 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
15 |
10 |
14744 |
121.1 |
-108.3 |
0.000 |
0 |
0 |
0 |
0.944 |
42 |
|
[K]F:826 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
15 |
10 |
14280 |
120.7 |
-108.3 |
0.000 |
0 |
0 |
0 |
0.944 |
| Average: |
121.2 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.944 |
| 29 |
43 |
|
[EPE]F:830 |
11 |
1 |
398 |
◊ |
F |
x,y,z |
1_555 |
21 |
6 |
14280 |
120.1 |
3.0 |
0.095 |
1 |
0 |
0 |
0.000 |
| 30 |
44 |
|
[PZV]B:501 |
9 |
1 |
515 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
10813 |
119.1 |
-0.8 |
0.449 |
3 |
0 |
0 |
0.077 |
45 |
|
[PZV]D:501 |
8 |
1 |
518 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
10966 |
118.3 |
-0.9 |
0.435 |
2 |
0 |
0 |
0.077 |
46 |
|
[PZV]H:502 |
9 |
1 |
516 |
f |
G |
x,y,z |
1_555 |
15 |
6 |
10792 |
118.3 |
-0.9 |
0.457 |
2 |
0 |
0 |
0.077 |
47 |
|
[PZV]F:802 |
9 |
1 |
516 |
f |
E |
x,y,z |
1_555 |
16 |
6 |
10920 |
118.0 |
-0.8 |
0.456 |
2 |
0 |
0 |
0.077 |
| Average: |
118.4 |
-0.9 |
0.449 |
2 |
0 |
0 |
0.077 |
| 31 |
48 |
|
[EDO]E:305 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
19 |
8 |
10920 |
118.9 |
3.2 |
0.433 |
1 |
0 |
0 |
0.000 |
| 32 |
49 |
|
[PEG]G:309 |
7 |
1 |
260 |
f |
G |
x,y,z |
1_555 |
17 |
7 |
10792 |
114.6 |
1.3 |
0.206 |
2 |
0 |
0 |
0.000 |
| 33 |
50 |
|
[EDO]G:312 |
4 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
20 |
11 |
10792 |
114.5 |
4.1 |
0.687 |
1 |
0 |
0 |
0.000 |
| 34 |
51 |
|
[EPE]H:532 |
12 |
1 |
404 |
◊ |
F |
x,y,z |
1_555 |
13 |
5 |
14280 |
111.6 |
2.6 |
0.024 |
0 |
0 |
0 |
0.000 |
| 35 |
52 |
|
[ACT]F:818 |
4 |
1 |
182 |
f |
F |
x,y,z |
1_555 |
18 |
9 |
14280 |
110.2 |
-0.0 |
0.729 |
2 |
0 |
0 |
0.007 |
| 36 |
53 |
|
[PEG]F:829 |
7 |
1 |
252 |
◊ |
H |
x,y,z |
1_555 |
17 |
7 |
14506 |
109.1 |
1.8 |
0.266 |
2 |
0 |
0 |
0.000 |
| 37 |
54 |
|
[EDO]B:510 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
14744 |
108.5 |
3.3 |
0.431 |
0 |
0 |
0 |
0.000 |
| 38 |
55 |
|
[K]C:308 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
27 |
10 |
10966 |
108.5 |
-74.0 |
0.000 |
0 |
0 |
0 |
0.346 |
| 39 |
56 |
|
[MLI]F:827 |
7 |
1 |
225 |
f |
F |
x,y,z |
1_555 |
16 |
5 |
14280 |
107.1 |
2.3 |
0.819 |
3 |
0 |
0 |
0.000 |
| 40 |
57 |
|
[EPE]B:527 |
12 |
1 |
399 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
14426 |
106.9 |
2.1 |
0.019 |
0 |
0 |
0 |
0.000 |
| 41 |
58 |
|
[EDO]H:505 |
4 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
13 |
5 |
14506 |
103.8 |
3.7 |
0.529 |
2 |
0 |
0 |
0.000 |
| 42 |
59 |
|
[EDO]H:521 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
14 |
7 |
14506 |
103.6 |
2.5 |
0.426 |
1 |
0 |
0 |
0.000 |
| 43 |
60 |
|
[FMT]A:309 |
3 |
1 |
148 |
f |
A |
x,y,z |
1_555 |
21 |
12 |
10813 |
100.5 |
-0.1 |
0.399 |
1 |
0 |
0 |
0.018 |
| 44 |
61 |
|
[K]D:518 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
23 |
10 |
14426 |
99.3 |
-74.1 |
0.000 |
0 |
0 |
0 |
0.220 |
| 45 |
62 |
|
[EDO]B:509 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
14744 |
98.7 |
3.2 |
0.465 |
2 |
0 |
0 |
0.000 |
| 46 |
63 |
|
[FMT]E:304 |
3 |
1 |
149 |
f |
E |
x,y,z |
1_555 |
24 |
13 |
10920 |
98.5 |
-0.1 |
0.392 |
0 |
0 |
0 |
0.000 |
| 47 |
64 |
|
[EDO]B:503 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
14744 |
97.8 |
2.4 |
0.410 |
2 |
0 |
0 |
0.000 |
| 48 |
65 |
|
[FMT]D:510 |
3 |
1 |
149 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
14426 |
97.5 |
0.1 |
0.429 |
0 |
0 |
0 |
0.000 |
| 49 |
66 |
|
[PGE]F:801 |
8 |
1 |
328 |
f |
F |
x,y,z |
1_555 |
10 |
3 |
14280 |
97.2 |
1.8 |
0.178 |
4 |
0 |
0 |
0.000 |
| 50 |
67 |
|
[K]G:313 |
1 |
1 |
216 |
f |
G |
x,y,z |
1_555 |
16 |
5 |
10792 |
94.9 |
-59.8 |
0.000 |
0 |
0 |
0 |
0.321 |
| 51 |
68 |
|
[EDO]H:520 |
4 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
14 |
7 |
14506 |
93.3 |
2.4 |
0.272 |
4 |
0 |
0 |
0.000 |
| 52 |
69 |
|
[EDO]F:819 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
18 |
7 |
14280 |
92.3 |
1.7 |
0.233 |
2 |
0 |
0 |
0.000 |
| 53 |
70 |
|
[EDO]C:303 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
25 |
12 |
10966 |
92.0 |
3.1 |
0.664 |
3 |
0 |
0 |
0.000 |
| 54 |
71 |
|
[EDO]B:511 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
14744 |
91.0 |
2.6 |
0.284 |
2 |
0 |
0 |
0.000 |
| 55 |
72 |
|
E |
9 |
3 |
10920 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
10 |
4 |
10813 |
90.0 |
2.3 |
0.844 |
2 |
5 |
0 |
0.000 |
| 56 |
73 |
|
[FMT]D:507 |
3 |
1 |
148 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
14426 |
89.7 |
0.3 |
0.422 |
2 |
0 |
0 |
0.002 |
| 57 |
74 |
|
[EPE]H:532 |
9 |
1 |
404 |
◊ |
D |
x,y,z |
1_555 |
14 |
6 |
14426 |
89.3 |
2.2 |
0.051 |
0 |
0 |
0 |
0.000 |
| 58 |
75 |
|
[FMT]B:507 |
3 |
1 |
148 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
14744 |
89.1 |
0.2 |
0.417 |
2 |
0 |
0 |
0.005 |
| 59 |
76 |
|
[FMT]H:508 |
3 |
1 |
149 |
f |
H |
x,y,z |
1_555 |
16 |
9 |
14506 |
88.5 |
-0.3 |
0.369 |
0 |
0 |
0 |
0.001 |
| 60 |
77 |
|
[FMT]F:811 |
3 |
1 |
149 |
f |
F |
x,y,z |
1_555 |
19 |
11 |
14280 |
88.4 |
0.0 |
0.409 |
2 |
0 |
0 |
0.007 |
| 61 |
78 |
|
[FMT]H:529 |
3 |
1 |
150 |
f |
H |
x,y,z |
1_555 |
12 |
5 |
14506 |
87.9 |
-0.8 |
0.297 |
1 |
0 |
0 |
0.007 |
| 62 |
79 |
|
[EDO]B:526 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
14744 |
87.7 |
2.0 |
0.262 |
2 |
0 |
0 |
0.000 |
| 63 |
80 |
|
[FMT]A:308 |
3 |
1 |
148 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
10813 |
87.5 |
-0.3 |
0.372 |
0 |
0 |
0 |
0.011 |
| 64 |
81 |
|
[FMT]B:514 |
3 |
1 |
149 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
14744 |
87.3 |
0.2 |
0.416 |
3 |
0 |
0 |
0.009 |
| 65 |
82 |
|
[FMT]F:816 |
3 |
1 |
148 |
f |
F |
x,y,z |
1_555 |
16 |
6 |
14280 |
87.1 |
-0.0 |
0.637 |
1 |
0 |
0 |
0.004 |
| 66 |
83 |
|
[EDO]H:533 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
16 |
5 |
14506 |
87.1 |
2.0 |
0.410 |
0 |
0 |
0 |
0.000 |
| 67 |
84 |
|
[FMT]H:525 |
3 |
1 |
148 |
f |
H |
x,y,z |
1_555 |
19 |
8 |
14506 |
87.1 |
0.4 |
0.692 |
2 |
0 |
0 |
0.003 |
| 68 |
85 |
|
[EDO]D:520 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
14426 |
86.9 |
2.0 |
0.236 |
1 |
0 |
0 |
0.000 |
| 69 |
86 |
|
[FMT]F:814 |
3 |
1 |
151 |
f |
F |
x,y,z |
1_555 |
18 |
6 |
14280 |
85.5 |
-0.2 |
0.565 |
1 |
0 |
0 |
0.005 |
| 70 |
87 |
|
[FMT]D:506 |
3 |
1 |
149 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
14426 |
85.4 |
0.1 |
0.432 |
2 |
0 |
0 |
0.002 |
| 71 |
88 |
|
[FMT]H:514 |
3 |
1 |
148 |
f |
H |
x,y,z |
1_555 |
20 |
8 |
14506 |
85.1 |
0.6 |
0.730 |
2 |
0 |
0 |
0.002 |
| 72 |
89 |
|
[FMT]F:807 |
3 |
1 |
149 |
f |
F |
x,y,z |
1_555 |
12 |
5 |
14280 |
84.3 |
0.1 |
0.440 |
0 |
0 |
0 |
0.000 |
| 73 |
90 |
|
[FMT]C:302 |
3 |
1 |
149 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
10966 |
84.2 |
-0.4 |
0.372 |
1 |
0 |
0 |
0.004 |
| 74 |
91 |
|
[FMT]D:514 |
3 |
1 |
149 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
14426 |
84.1 |
-0.6 |
0.351 |
1 |
0 |
0 |
0.003 |
| 75 |
92 |
|
[FMT]D:515 |
3 |
1 |
149 |
f |
D |
x,y,z |
1_555 |
21 |
9 |
14426 |
83.3 |
0.8 |
0.746 |
1 |
0 |
0 |
0.000 |
| 76 |
93 |
|
[FMT]B:520 |
3 |
1 |
148 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
14744 |
82.9 |
-0.1 |
0.428 |
1 |
0 |
0 |
0.004 |
| 77 |
94 |
|
[FMT]H:519 |
3 |
1 |
148 |
f |
H |
x,y,z |
1_555 |
15 |
6 |
14506 |
82.9 |
-0.2 |
0.380 |
2 |
0 |
0 |
0.006 |
| 78 |
95 |
|
[FMT]G:301 |
3 |
1 |
149 |
f |
G |
x,y,z |
1_555 |
14 |
8 |
10792 |
82.9 |
-0.5 |
0.330 |
1 |
0 |
0 |
0.005 |
| 79 |
96 |
|
[EDO]F:812 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
13 |
5 |
14280 |
82.4 |
2.9 |
0.490 |
1 |
0 |
0 |
0.000 |
| 80 |
97 |
|
[EDO]A:304 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
10813 |
82.2 |
1.9 |
0.224 |
1 |
0 |
0 |
0.000 |
| 81 |
98 |
|
[FMT]A:305 |
3 |
1 |
149 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
10813 |
82.0 |
0.1 |
0.628 |
0 |
0 |
0 |
0.000 |
| 82 |
99 |
|
[EPE]B:527 |
9 |
1 |
399 |
◊ |
F |
x,y,z |
1_555 |
12 |
5 |
14280 |
81.7 |
2.1 |
0.057 |
0 |
0 |
0 |
0.000 |
| 83 |
100 |
|
[EDO]C:301 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
10966 |
81.4 |
1.3 |
0.650 |
5 |
0 |
0 |
0.005 |
| 84 |
101 |
|
[FMT]B:528 |
3 |
1 |
148 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
14426 |
81.3 |
-0.9 |
0.287 |
1 |
0 |
0 |
0.004 |
| 85 |
102 |
|
[FMT]F:820 |
3 |
1 |
149 |
f |
F |
x,y,z |
1_555 |
16 |
6 |
14280 |
81.2 |
-0.3 |
0.388 |
0 |
0 |
0 |
0.002 |
| 86 |
103 |
|
[EDO]D:511 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
14426 |
80.8 |
2.4 |
0.273 |
2 |
0 |
0 |
0.000 |
| 87 |
104 |
|
[FMT]D:513 |
3 |
1 |
149 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
14426 |
80.6 |
-0.4 |
0.383 |
1 |
0 |
0 |
0.002 |
| 88 |
105 |
|
[FMT]H:526 |
3 |
1 |
148 |
f |
H |
x,y,z |
1_555 |
14 |
6 |
14506 |
80.6 |
-0.5 |
0.376 |
1 |
0 |
0 |
0.005 |
| 89 |
106 |
|
[FMT]G:306 |
3 |
1 |
149 |
f |
G |
x,y,z |
1_555 |
12 |
5 |
10792 |
80.5 |
-0.1 |
0.619 |
4 |
0 |
0 |
0.010 |
| 90 |
107 |
|
[FMT]E:303 |
3 |
1 |
149 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
10920 |
80.5 |
-0.2 |
0.362 |
3 |
0 |
0 |
0.012 |
| 91 |
108 |
|
[FMT]F:810 |
3 |
1 |
149 |
f |
F |
x,y,z |
1_555 |
14 |
7 |
14280 |
80.5 |
0.3 |
0.663 |
3 |
0 |
0 |
0.009 |
| 92 |
109 |
|
[FMT]H:510 |
3 |
1 |
148 |
f |
H |
x,y,z |
1_555 |
13 |
7 |
14506 |
80.3 |
-0.2 |
0.589 |
1 |
0 |
0 |
0.003 |
| 93 |
110 |
|
[FMT]F:806 |
3 |
1 |
150 |
f |
F |
x,y,z |
1_555 |
14 |
5 |
14280 |
80.1 |
-0.8 |
0.285 |
1 |
0 |
0 |
0.010 |
| 94 |
111 |
|
[FMT]D:516 |
3 |
1 |
149 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
14426 |
80.1 |
-0.1 |
0.395 |
2 |
0 |
0 |
0.003 |
| 95 |
112 |
|
[FMT]H:522 |
3 |
1 |
150 |
f |
H |
x,y,z |
1_555 |
11 |
5 |
14506 |
79.9 |
-0.1 |
0.393 |
0 |
0 |
0 |
0.000 |
| 96 |
113 |
|
[ACT]A:310 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
10813 |
79.9 |
-0.6 |
0.628 |
0 |
0 |
0 |
0.023 |
| 97 |
114 |
|
[FMT]B:518 |
3 |
1 |
149 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
14744 |
79.6 |
0.5 |
0.702 |
2 |
0 |
0 |
0.003 |
| 98 |
115 |
|
[FMT]H:523 |
3 |
1 |
149 |
f |
H |
x,y,z |
1_555 |
16 |
7 |
14506 |
79.4 |
0.1 |
0.645 |
1 |
0 |
0 |
0.002 |
| 99 |
116 |
|
[EDO]C:306 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
10966 |
79.2 |
2.2 |
0.388 |
1 |
0 |
0 |
0.000 |
| 100 |
117 |
|
[EDO]G:310 |
4 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
16 |
5 |
10792 |
78.4 |
2.4 |
0.298 |
1 |
0 |
0 |
0.000 |
| 101 |
118 |
|
[FMT]H:511 |
3 |
1 |
149 |
f |
H |
x,y,z |
1_555 |
11 |
5 |
14506 |
77.7 |
0.1 |
0.611 |
0 |
0 |
0 |
0.000 |
| 102 |
119 |
|
[FMT]A:302 |
3 |
1 |
148 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
10813 |
77.6 |
-0.5 |
0.327 |
1 |
0 |
0 |
0.033 |
| 103 |
120 |
|
[ACT]A:312 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
14744 |
76.8 |
-0.2 |
0.634 |
0 |
0 |
0 |
0.002 |
| 104 |
121 |
|
[K]D:522 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
14426 |
76.5 |
-42.0 |
0.000 |
0 |
0 |
0 |
0.205 |
122 |
|
[K]D:522 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
14 |
5 |
14280 |
72.8 |
-41.5 |
0.000 |
0 |
0 |
0 |
0.205 |
| Average: |
74.6 |
-41.8 |
0.000 |
0 |
0 |
0 |
0.205 |
| 105 |
123 |
|
[FMT]D:504 |
3 |
1 |
148 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
14426 |
76.1 |
0.6 |
0.739 |
1 |
0 |
0 |
0.000 |
| 106 |
124 |
|
[FMT]C:309 |
3 |
1 |
149 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
10966 |
75.6 |
0.1 |
0.403 |
2 |
0 |
0 |
0.004 |
| 107 |
125 |
|
[FMT]F:821 |
3 |
1 |
149 |
f |
F |
x,y,z |
1_555 |
14 |
6 |
14280 |
75.1 |
-0.6 |
0.301 |
0 |
0 |
0 |
0.005 |
| 108 |
126 |
|
[EDO]H:512 |
4 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
12 |
4 |
14506 |
74.9 |
2.8 |
0.492 |
0 |
0 |
0 |
0.000 |
| 109 |
127 |
|
[FMT]B:513 |
3 |
1 |
149 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
14744 |
74.4 |
0.8 |
0.715 |
2 |
0 |
0 |
0.000 |
| 110 |
128 |
|
C |
13 |
6 |
10966 |
◊ |
[K]G:313 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
216 |
73.8 |
-41.8 |
0.000 |
0 |
0 |
0 |
0.196 |
| 111 |
129 |
|
[FMT]A:301 |
3 |
1 |
149 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
10813 |
73.8 |
0.7 |
0.705 |
1 |
0 |
0 |
0.000 |
| 112 |
130 |
|
[FMT]H:517 |
3 |
1 |
149 |
◊ |
H |
x,y,z |
1_555 |
16 |
5 |
14506 |
73.7 |
0.6 |
0.720 |
1 |
0 |
0 |
0.000 |
| 113 |
131 |
|
[EDO]B:516 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
14744 |
73.6 |
1.3 |
0.689 |
0 |
0 |
0 |
0.000 |
| 114 |
132 |
|
[FMT]B:508 |
3 |
1 |
149 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
14744 |
73.3 |
0.0 |
0.402 |
0 |
0 |
0 |
0.000 |
| 115 |
133 |
|
[FMT]A:307 |
3 |
1 |
149 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
10813 |
73.1 |
-0.1 |
0.553 |
1 |
0 |
0 |
0.019 |
| 116 |
134 |
|
[EDO]F:822 |
4 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
14280 |
72.7 |
1.2 |
0.165 |
0 |
0 |
0 |
0.000 |
| 117 |
135 |
|
[FMT]A:303 |
3 |
1 |
149 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
10813 |
72.6 |
0.4 |
0.666 |
2 |
0 |
0 |
0.018 |
| 118 |
136 |
|
[MLI]H:530 |
6 |
1 |
224 |
f |
H |
x,y,z |
1_555 |
12 |
4 |
14506 |
72.0 |
1.2 |
0.676 |
0 |
0 |
0 |
0.000 |
| 119 |
137 |
|
[FMT]H:507 |
3 |
1 |
148 |
◊ |
H |
x,y,z |
1_555 |
10 |
5 |
14506 |
72.0 |
0.3 |
0.440 |
0 |
0 |
0 |
0.000 |
| 120 |
138 |
|
[FMT]B:515 |
3 |
1 |
150 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
14744 |
71.5 |
-1.1 |
0.194 |
1 |
0 |
0 |
0.012 |
| 121 |
139 |
|
[FMT]H:518 |
3 |
1 |
149 |
◊ |
H |
x,y,z |
1_555 |
10 |
4 |
14506 |
71.2 |
0.5 |
0.723 |
0 |
0 |
0 |
0.000 |
| 122 |
140 |
|
[FMT]G:308 |
3 |
1 |
149 |
f |
G |
x,y,z |
1_555 |
14 |
5 |
10792 |
71.1 |
0.1 |
0.635 |
0 |
0 |
0 |
0.000 |
| 123 |
141 |
|
[FMT]D:512 |
3 |
1 |
149 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
14426 |
70.7 |
-0.1 |
0.366 |
2 |
0 |
0 |
0.003 |
| 124 |
142 |
|
[EDO]H:533 |
4 |
1 |
185 |
f |
D |
-x+1/2,-y,z-1/2 |
2_554 |
10 |
4 |
14426 |
69.2 |
1.6 |
0.793 |
2 |
0 |
0 |
0.000 |
| 125 |
143 |
|
[FMT]B:505 |
3 |
1 |
149 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
14744 |
69.1 |
-0.6 |
0.316 |
0 |
0 |
0 |
0.004 |
| 126 |
144 |
|
[FMT]B:519 |
3 |
1 |
149 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
14744 |
69.1 |
0.6 |
0.694 |
0 |
0 |
0 |
0.000 |
| 127 |
145 |
|
[FMT]B:517 |
3 |
1 |
149 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
14744 |
68.9 |
0.4 |
0.641 |
1 |
0 |
0 |
0.000 |
| 128 |
146 |
|
[FMT]F:823 |
3 |
1 |
148 |
◊ |
F |
x,y,z |
1_555 |
13 |
8 |
14280 |
68.4 |
-0.2 |
0.398 |
0 |
0 |
0 |
0.000 |
| 129 |
147 |
|
[FMT]B:524 |
3 |
1 |
148 |
f |
F |
x,y,z |
1_555 |
11 |
4 |
14280 |
67.1 |
-1.2 |
0.247 |
0 |
0 |
0 |
0.010 |
| 130 |
148 |
|
[FMT]F:804 |
3 |
1 |
148 |
f |
F |
x,y,z |
1_555 |
11 |
7 |
14280 |
66.7 |
-0.3 |
0.333 |
0 |
0 |
0 |
0.003 |
| 131 |
149 |
|
[FMT]F:815 |
3 |
1 |
148 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
14280 |
66.5 |
-0.4 |
0.492 |
0 |
0 |
0 |
0.003 |
| 132 |
150 |
|
[FMT]F:817 |
3 |
1 |
149 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
14280 |
66.2 |
0.9 |
0.780 |
3 |
0 |
0 |
0.003 |
| 133 |
151 |
|
[ACT]F:808 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
11 |
3 |
14280 |
66.1 |
0.5 |
0.812 |
1 |
0 |
0 |
0.000 |
| 134 |
152 |
|
H |
9 |
2 |
14506 |
◊ |
[EPE]B:530 |
-x+1/2,-y,z-1/2 |
2_554 |
8 |
1 |
403 |
65.5 |
2.2 |
0.117 |
0 |
0 |
0 |
0.000 |
| 135 |
153 |
|
[FMT]H:503 |
3 |
1 |
149 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
14426 |
65.3 |
-0.7 |
0.277 |
0 |
0 |
0 |
0.002 |
| 136 |
154 |
|
[FMT]F:813 |
3 |
1 |
149 |
f |
F |
x,y,z |
1_555 |
15 |
6 |
14280 |
65.2 |
0.4 |
0.704 |
0 |
0 |
0 |
0.000 |
| 137 |
155 |
|
[FMT]B:504 |
3 |
1 |
150 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
14744 |
64.8 |
-0.0 |
0.383 |
0 |
0 |
0 |
0.000 |
| 138 |
156 |
|
[MLI]H:530 |
4 |
1 |
224 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
12 |
3 |
14744 |
64.3 |
0.8 |
0.737 |
0 |
0 |
0 |
0.000 |
| 139 |
157 |
|
[FMT]G:305 |
3 |
1 |
148 |
f |
G |
x,y,z |
1_555 |
14 |
5 |
10792 |
63.9 |
0.1 |
0.421 |
0 |
0 |
0 |
0.000 |
| 140 |
158 |
|
[FMT]B:512 |
3 |
1 |
149 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
14744 |
63.9 |
0.6 |
0.731 |
0 |
0 |
0 |
0.000 |
| 141 |
159 |
|
[FMT]G:302 |
3 |
1 |
149 |
f |
G |
x,y,z |
1_555 |
11 |
3 |
10792 |
63.8 |
-0.7 |
0.302 |
0 |
0 |
0 |
0.004 |
| 142 |
160 |
|
[EPE]F:830 |
6 |
1 |
398 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
9 |
2 |
14744 |
63.8 |
2.5 |
0.356 |
0 |
0 |
0 |
0.000 |
| 143 |
161 |
|
[FMT]H:501 |
3 |
1 |
149 |
f |
H |
x,y,z |
1_555 |
13 |
7 |
14506 |
63.5 |
-0.5 |
0.334 |
2 |
0 |
0 |
0.007 |
| 144 |
162 |
|
[FMT]D:503 |
3 |
1 |
148 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
14744 |
63.5 |
-0.5 |
0.363 |
0 |
0 |
0 |
0.004 |
| 145 |
163 |
|
[EDO]B:529 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
14426 |
63.3 |
1.6 |
0.263 |
1 |
0 |
0 |
0.000 |
| 146 |
164 |
|
[FMT]F:828 |
3 |
1 |
148 |
f |
F |
x,y,z |
1_555 |
16 |
7 |
14280 |
63.2 |
0.0 |
0.638 |
2 |
0 |
0 |
0.007 |
| 147 |
165 |
|
[FMT]H:524 |
3 |
1 |
148 |
f |
H |
x,y,z |
1_555 |
8 |
5 |
14506 |
63.2 |
-0.1 |
0.375 |
0 |
0 |
0 |
0.000 |
| 148 |
166 |
|
[FMT]C:305 |
3 |
1 |
147 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
10966 |
63.0 |
0.3 |
0.642 |
0 |
0 |
0 |
0.000 |
| 149 |
167 |
|
[ACT]F:808 |
4 |
1 |
184 |
f |
B |
-x+1/2,-y,z-1/2 |
2_554 |
9 |
4 |
14744 |
62.9 |
-0.0 |
0.742 |
0 |
0 |
0 |
0.000 |
| 150 |
168 |
|
[FMT]F:803 |
3 |
1 |
149 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
14280 |
62.7 |
-0.6 |
0.374 |
0 |
0 |
0 |
0.004 |
| 151 |
169 |
|
[FMT]A:306 |
3 |
1 |
148 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
10813 |
62.6 |
0.4 |
0.714 |
2 |
0 |
0 |
0.016 |
| 152 |
170 |
|
[FMT]H:528 |
3 |
1 |
148 |
f |
H |
x,y,z |
1_555 |
11 |
3 |
14506 |
62.6 |
0.4 |
0.669 |
2 |
0 |
0 |
0.003 |
| 153 |
171 |
|
[FMT]B:521 |
3 |
1 |
148 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
14744 |
62.6 |
0.5 |
0.458 |
0 |
0 |
0 |
0.000 |
| 154 |
172 |
|
[FMT]C:304 |
3 |
1 |
149 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
10966 |
62.4 |
0.5 |
0.682 |
0 |
0 |
0 |
0.000 |
| 155 |
173 |
|
[PEG]F:829 |
4 |
1 |
252 |
f |
F |
x,y,z |
1_555 |
8 |
3 |
14280 |
62.2 |
1.8 |
0.460 |
0 |
0 |
0 |
0.000 |
| 156 |
174 |
|
[FMT]H:527 |
3 |
1 |
149 |
◊ |
H |
x,y,z |
1_555 |
10 |
5 |
14506 |
62.0 |
-0.1 |
0.529 |
0 |
0 |
0 |
0.000 |
| 157 |
175 |
|
[ACT]H:506 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
12 |
5 |
14506 |
61.9 |
-0.1 |
0.631 |
0 |
0 |
0 |
0.000 |
| 158 |
176 |
|
[FMT]D:509 |
3 |
1 |
149 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
14426 |
61.7 |
-0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
| 159 |
177 |
|
[EDO]H:512 |
4 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
11 |
5 |
10792 |
61.2 |
1.5 |
0.829 |
0 |
0 |
0 |
0.000 |
| 160 |
178 |
|
[FMT]G:304 |
3 |
1 |
149 |
f |
G |
x,y,z |
1_555 |
11 |
3 |
10792 |
61.2 |
-0.2 |
0.514 |
1 |
0 |
0 |
0.003 |
| 161 |
179 |
|
[FMT]F:817 |
3 |
1 |
149 |
f |
E |
x,y,z |
1_555 |
12 |
6 |
10920 |
61.1 |
-0.5 |
0.351 |
0 |
0 |
0 |
0.004 |
| 162 |
180 |
|
[EPE]F:830 |
10 |
1 |
398 |
◊ |
[EPE]B:530 |
-x+1/2,-y,z-1/2 |
2_554 |
9 |
1 |
403 |
60.5 |
3.1 |
0.002 |
0 |
0 |
0 |
0.000 |
| 163 |
181 |
|
[FMT]G:303 |
3 |
1 |
150 |
f |
G |
x,y,z |
1_555 |
10 |
3 |
10792 |
59.7 |
-0.5 |
0.292 |
0 |
0 |
0 |
0.003 |
| 164 |
182 |
|
[FMT]H:515 |
3 |
1 |
148 |
◊ |
H |
x,y,z |
1_555 |
9 |
5 |
14506 |
59.5 |
0.9 |
0.784 |
3 |
0 |
0 |
0.002 |
| 165 |
183 |
|
[FMT]H:515 |
3 |
1 |
148 |
f |
F |
x,y,z |
1_555 |
10 |
7 |
14280 |
59.2 |
-0.6 |
0.274 |
0 |
0 |
0 |
0.005 |
| 166 |
184 |
|
[FMT]H:509 |
3 |
1 |
149 |
f |
H |
x,y,z |
1_555 |
10 |
3 |
14506 |
57.4 |
0.9 |
0.751 |
0 |
0 |
0 |
0.000 |
| 167 |
185 |
|
[EDO]F:822 |
3 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
10 |
4 |
14506 |
56.4 |
0.8 |
0.551 |
0 |
0 |
0 |
0.000 |
| 168 |
186 |
|
[FMT]G:307 |
3 |
1 |
148 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
14506 |
55.5 |
0.4 |
0.637 |
0 |
0 |
0 |
0.000 |
| 169 |
187 |
|
[FMT]B:523 |
3 |
1 |
148 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
14744 |
55.3 |
-0.1 |
0.433 |
0 |
0 |
0 |
0.000 |
| 170 |
188 |
|
H |
10 |
2 |
14506 |
◊ |
[EDO]B:516 |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
185 |
54.6 |
1.3 |
0.251 |
0 |
0 |
0 |
0.000 |
| 171 |
189 |
|
[PEG]H:513 |
5 |
1 |
255 |
f |
[PEG]F:829 |
x,y,z |
1_555 |
4 |
1 |
252 |
54.1 |
1.6 |
0.116 |
2 |
0 |
0 |
0.000 |
| 172 |
190 |
|
[FMT]D:508 |
3 |
1 |
149 |
f |
D |
x,y,z |
1_555 |
9 |
1 |
14426 |
53.0 |
-0.3 |
0.369 |
0 |
0 |
0 |
0.000 |
| 173 |
191 |
|
C |
6 |
2 |
10966 |
◊ |
[EDO]G:310 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
186 |
52.9 |
1.6 |
0.902 |
0 |
0 |
0 |
0.000 |
| 174 |
192 |
|
[FMT]D:504 |
3 |
1 |
148 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
10966 |
52.8 |
-0.9 |
0.307 |
0 |
0 |
0 |
0.004 |
| 175 |
193 |
|
[ACT]A:312 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
10813 |
52.4 |
0.1 |
0.756 |
0 |
0 |
0 |
0.000 |
| 176 |
194 |
|
[FMT]F:824 |
3 |
1 |
148 |
f |
F |
x,y,z |
1_555 |
5 |
4 |
14280 |
51.3 |
0.3 |
0.649 |
0 |
0 |
0 |
0.000 |
| 177 |
195 |
|
[MLI]F:827 |
5 |
1 |
225 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
14426 |
50.9 |
2.1 |
0.957 |
0 |
0 |
0 |
0.000 |
| 178 |
196 |
|
[FMT]D:503 |
3 |
1 |
148 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
14426 |
50.6 |
-0.4 |
0.360 |
0 |
0 |
0 |
0.001 |
| 179 |
197 |
|
[ACT]H:506 |
3 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
6 |
2 |
10792 |
50.2 |
-0.7 |
0.572 |
1 |
0 |
0 |
0.006 |
| 180 |
198 |
|
[FMT]G:307 |
2 |
1 |
148 |
f |
G |
x,y,z |
1_555 |
7 |
3 |
10792 |
49.9 |
-0.3 |
0.474 |
2 |
0 |
0 |
0.006 |
| 181 |
199 |
|
F |
10 |
5 |
14280 |
f |
[FMT]B:523 |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
148 |
49.2 |
0.2 |
0.648 |
1 |
0 |
0 |
0.002 |
| 182 |
200 |
|
[FMT]B:531 |
3 |
1 |
148 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
14744 |
49.1 |
0.1 |
0.543 |
2 |
0 |
0 |
0.006 |
| 183 |
201 |
|
[FMT]D:512 |
3 |
1 |
149 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
14744 |
47.9 |
-0.2 |
0.385 |
0 |
0 |
0 |
0.000 |
| 184 |
202 |
|
[FMT]H:503 |
2 |
1 |
149 |
◊ |
H |
x,y,z |
1_555 |
9 |
5 |
14506 |
47.5 |
0.4 |
0.647 |
0 |
0 |
0 |
0.000 |
| 185 |
203 |
|
[FMT]B:531 |
3 |
1 |
148 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
14506 |
46.7 |
-0.6 |
0.289 |
0 |
0 |
0 |
0.000 |
| 186 |
204 |
|
[FMT]D:502 |
2 |
1 |
150 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
14426 |
46.3 |
-0.1 |
0.601 |
0 |
0 |
0 |
0.000 |
| 187 |
205 |
|
[FMT]D:502 |
3 |
1 |
150 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
14744 |
44.8 |
-0.1 |
0.541 |
0 |
0 |
0 |
0.000 |
| 188 |
206 |
|
[NA]F:825 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
9 |
5 |
14280 |
44.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.015 |
207 |
|
[NA]F:825 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
9 |
4 |
14506 |
42.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
43.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.015 |
| 189 |
208 |
|
[FMT]F:803 |
3 |
1 |
149 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
10920 |
43.6 |
0.1 |
0.616 |
1 |
0 |
0 |
0.003 |
| 190 |
209 |
|
[FMT]F:828 |
3 |
1 |
148 |
◊ |
H |
x,y,z |
1_555 |
10 |
5 |
14506 |
43.5 |
-0.2 |
0.383 |
0 |
0 |
0 |
0.001 |
| 191 |
210 |
|
[FMT]B:522 |
3 |
1 |
148 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
14506 |
43.0 |
0.3 |
0.677 |
2 |
0 |
0 |
0.000 |
| 192 |
211 |
|
[FMT]H:507 |
3 |
1 |
148 |
f |
G |
x,y,z |
1_555 |
6 |
2 |
10792 |
42.5 |
-0.5 |
0.368 |
0 |
0 |
0 |
0.003 |
| 193 |
212 |
|
F |
9 |
3 |
14280 |
◊ |
[FMT]D:521 |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
148 |
42.3 |
0.1 |
0.632 |
1 |
0 |
0 |
0.000 |
| 194 |
213 |
|
D |
5 |
2 |
14426 |
f |
[EDO]G:310 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
186 |
41.6 |
1.1 |
0.806 |
0 |
0 |
0 |
0.000 |
| 195 |
214 |
|
[FMT]F:804 |
3 |
1 |
148 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
6 |
3 |
14744 |
41.5 |
-0.2 |
0.309 |
0 |
0 |
0 |
0.000 |
| 196 |
215 |
|
[K]D:518 |
1 |
1 |
216 |
f |
[EDO]B:529 |
x,y,z |
1_555 |
4 |
1 |
184 |
41.3 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.060 |
| 197 |
216 |
|
[FMT]D:521 |
3 |
1 |
148 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
14426 |
41.1 |
0.0 |
0.414 |
0 |
0 |
0 |
0.000 |
| 198 |
217 |
|
[FMT]D:509 |
2 |
1 |
149 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
10966 |
41.1 |
-0.3 |
0.520 |
0 |
0 |
0 |
0.002 |
| 199 |
218 |
|
[K]C:308 |
1 |
1 |
216 |
f |
[EDO]C:303 |
x,y,z |
1_555 |
4 |
1 |
184 |
40.8 |
-18.9 |
0.000 |
0 |
0 |
0 |
0.088 |
| 200 |
219 |
|
[FMT]F:806 |
2 |
1 |
150 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
14506 |
40.7 |
-0.1 |
0.578 |
0 |
0 |
0 |
0.000 |
| 201 |
220 |
|
D |
4 |
1 |
14426 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
4 |
10792 |
40.6 |
0.2 |
0.693 |
1 |
1 |
0 |
0.000 |
| 202 |
221 |
|
[FMT]H:501 |
3 |
1 |
149 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
14280 |
39.5 |
0.6 |
0.760 |
1 |
0 |
0 |
0.000 |
| 203 |
222 |
|
[FMT]B:524 |
3 |
1 |
148 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
14744 |
38.6 |
0.5 |
0.717 |
1 |
0 |
0 |
0.000 |
| 204 |
223 |
|
[FMT]B:528 |
2 |
1 |
148 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
14744 |
38.3 |
-0.0 |
0.581 |
0 |
0 |
0 |
0.000 |
| 205 |
224 |
|
[EDO]B:529 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
14744 |
38.0 |
0.8 |
0.732 |
0 |
0 |
0 |
0.000 |
| 206 |
225 |
|
[MLI]H:530 |
4 |
1 |
224 |
◊ |
[EDO]B:516 |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
185 |
37.1 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
| 207 |
226 |
|
[FMT]C:309 |
3 |
1 |
149 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
14426 |
36.9 |
-0.2 |
0.358 |
0 |
0 |
0 |
0.000 |
| 208 |
227 |
|
[EDO]F:819 |
3 |
1 |
185 |
f |
[FMT]F:810 |
x,y,z |
1_555 |
2 |
1 |
149 |
36.0 |
0.7 |
0.745 |
0 |
0 |
0 |
0.000 |
| 209 |
228 |
|
[FMT]B:522 |
2 |
1 |
148 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
14744 |
36.0 |
0.1 |
0.683 |
0 |
0 |
0 |
0.000 |
| 210 |
229 |
|
[FMT]D:517 |
2 |
1 |
148 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
14426 |
35.5 |
-0.2 |
0.594 |
0 |
0 |
0 |
0.000 |
| 211 |
230 |
|
[MLI]C:307 |
5 |
1 |
225 |
f |
[EDO]C:306 |
x,y,z |
1_555 |
3 |
1 |
184 |
34.6 |
1.9 |
1.000 |
0 |
0 |
0 |
0.000 |
| 212 |
231 |
|
[FMT]H:516 |
2 |
1 |
149 |
◊ |
H |
x,y,z |
1_555 |
5 |
3 |
14506 |
33.3 |
0.3 |
0.619 |
0 |
0 |
0 |
0.000 |
| 213 |
232 |
|
[K]C:308 |
1 |
1 |
216 |
f |
[EDO]C:306 |
x,y,z |
1_555 |
4 |
1 |
184 |
32.6 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.067 |
| 214 |
233 |
|
[EDO]H:520 |
2 |
1 |
185 |
f |
[FMT]H:524 |
x,y,z |
1_555 |
2 |
1 |
148 |
32.1 |
0.8 |
0.745 |
0 |
0 |
0 |
0.000 |
| 215 |
234 |
|
[MLI]G:311 |
3 |
1 |
226 |
f |
[FMT]G:301 |
x,y,z |
1_555 |
3 |
1 |
149 |
31.3 |
0.6 |
0.509 |
0 |
0 |
0 |
0.000 |
| 216 |
235 |
|
[EPE]B:527 |
5 |
1 |
399 |
◊ |
[FMT]B:515 |
x,y,z |
1_555 |
3 |
1 |
150 |
30.9 |
0.7 |
0.070 |
0 |
0 |
0 |
0.000 |
| 217 |
236 |
|
[EDO]F:812 |
3 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
10920 |
30.7 |
1.0 |
0.908 |
0 |
0 |
0 |
0.000 |
| 218 |
237 |
|
[FMT]F:823 |
2 |
1 |
148 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
14506 |
30.4 |
0.0 |
0.512 |
0 |
0 |
0 |
0.000 |
| 219 |
238 |
|
[FMT]H:517 |
2 |
1 |
149 |
f |
F |
x,y,z |
1_555 |
2 |
1 |
14280 |
29.5 |
-0.9 |
0.254 |
0 |
0 |
0 |
0.007 |
| 220 |
239 |
|
[MLI]A:311 |
3 |
1 |
225 |
f |
[FMT]A:302 |
x,y,z |
1_555 |
3 |
1 |
148 |
29.5 |
0.6 |
0.509 |
0 |
0 |
0 |
0.000 |
| 221 |
240 |
|
[FMT]B:513 |
3 |
1 |
149 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
14426 |
29.4 |
-0.8 |
0.171 |
0 |
0 |
0 |
0.002 |
| 222 |
241 |
|
E |
2 |
1 |
10920 |
f |
[FMT]H:516 |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
149 |
29.2 |
0.7 |
0.498 |
1 |
0 |
0 |
0.000 |
| 223 |
242 |
|
[FMT]B:504 |
3 |
1 |
150 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
10813 |
28.7 |
-0.3 |
0.196 |
0 |
0 |
0 |
0.009 |
| 224 |
243 |
|
[FMT]B:515 |
2 |
1 |
150 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
14280 |
28.4 |
0.0 |
0.472 |
0 |
0 |
0 |
0.000 |
| 225 |
244 |
|
[K]D:522 |
1 |
1 |
216 |
f |
[FMT]B:522 |
x,y,z |
1_555 |
2 |
1 |
148 |
28.4 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.080 |
| 226 |
245 |
|
[FMT]B:522 |
2 |
1 |
148 |
◊ |
F |
x,y,z |
1_555 |
5 |
1 |
14280 |
26.9 |
-0.4 |
0.515 |
0 |
0 |
0 |
0.000 |
| 227 |
246 |
|
[ACT]H:506 |
3 |
1 |
184 |
f |
[FMT]H:527 |
x,y,z |
1_555 |
2 |
1 |
149 |
25.8 |
-0.3 |
0.618 |
0 |
0 |
0 |
0.002 |
| 228 |
247 |
|
[FMT]H:522 |
3 |
1 |
150 |
f |
[FMT]H:519 |
x,y,z |
1_555 |
2 |
1 |
148 |
25.4 |
-0.1 |
0.625 |
0 |
0 |
0 |
0.000 |
| 229 |
248 |
|
[EDO]B:529 |
3 |
1 |
184 |
f |
[FMT]D:521 |
x,y,z |
1_555 |
2 |
1 |
148 |
24.9 |
0.6 |
0.745 |
0 |
0 |
0 |
0.000 |
| 230 |
249 |
|
[FMT]D:515 |
1 |
1 |
149 |
f |
[FMT]D:507 |
x,y,z |
1_555 |
2 |
1 |
148 |
24.8 |
0.3 |
0.430 |
0 |
0 |
0 |
0.000 |
| 231 |
250 |
|
[FMT]H:528 |
2 |
1 |
148 |
f |
[FMT]H:526 |
x,y,z |
1_555 |
3 |
1 |
148 |
24.4 |
0.5 |
0.625 |
0 |
0 |
0 |
0.000 |
| 232 |
251 |
|
[FMT]D:502 |
3 |
1 |
150 |
◊ |
[FMT]B:531 |
x,y,z |
1_555 |
2 |
1 |
148 |
24.0 |
0.3 |
0.625 |
0 |
0 |
0 |
0.000 |
| 233 |
252 |
|
[FMT]B:518 |
2 |
1 |
149 |
f |
[FMT]B:512 |
x,y,z |
1_555 |
2 |
1 |
149 |
23.9 |
0.1 |
0.556 |
0 |
0 |
0 |
0.000 |
| 234 |
253 |
|
[ACT]F:808 |
3 |
1 |
184 |
◊ |
[FMT]B:523 |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
148 |
23.4 |
0.2 |
0.697 |
0 |
0 |
0 |
0.000 |
| 235 |
254 |
|
[FMT]D:502 |
3 |
1 |
150 |
f |
H |
x,y,z |
1_555 |
2 |
2 |
14506 |
23.0 |
0.2 |
0.473 |
1 |
0 |
0 |
0.001 |
| 236 |
255 |
|
E |
2 |
1 |
10920 |
f |
[EDO]B:509 |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
185 |
22.3 |
0.7 |
0.903 |
0 |
0 |
0 |
0.000 |
| 237 |
256 |
|
[K]D:518 |
1 |
1 |
216 |
f |
[FMT]D:521 |
x,y,z |
1_555 |
2 |
1 |
148 |
22.1 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.030 |
| 238 |
257 |
|
[FMT]E:303 |
2 |
1 |
149 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
14744 |
20.6 |
0.1 |
0.685 |
0 |
0 |
0 |
0.000 |
| 239 |
258 |
|
[FMT]B:519 |
2 |
1 |
149 |
f |
[FMT]B:518 |
x,y,z |
1_555 |
2 |
1 |
149 |
20.5 |
-0.2 |
0.556 |
0 |
0 |
0 |
0.002 |
| 240 |
259 |
|
[EDO]H:520 |
1 |
1 |
185 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
14744 |
20.5 |
0.8 |
0.627 |
0 |
0 |
0 |
0.000 |
| 241 |
260 |
|
[FMT]B:531 |
2 |
1 |
148 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
14426 |
20.1 |
0.1 |
0.628 |
0 |
0 |
0 |
0.000 |
| 242 |
261 |
|
[FMT]H:501 |
3 |
1 |
149 |
◊ |
[FMT]F:828 |
x,y,z |
1_555 |
3 |
1 |
148 |
19.9 |
0.2 |
0.704 |
0 |
0 |
0 |
0.000 |
| 243 |
262 |
|
[FMT]H:523 |
3 |
1 |
149 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
10966 |
19.7 |
0.9 |
0.811 |
0 |
0 |
0 |
0.000 |
| 244 |
263 |
|
[FMT]F:815 |
1 |
1 |
148 |
f |
[FMT]F:814 |
x,y,z |
1_555 |
2 |
1 |
151 |
18.9 |
-0.3 |
0.430 |
0 |
0 |
0 |
0.002 |
| 245 |
264 |
|
C |
3 |
1 |
10966 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
10920 |
18.8 |
-0.0 |
0.300 |
0 |
0 |
0 |
0.000 |
| 246 |
265 |
|
[FMT]B:520 |
1 |
1 |
148 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
10813 |
17.4 |
0.8 |
0.559 |
0 |
0 |
0 |
0.000 |
| 247 |
266 |
|
[NA]F:825 |
1 |
1 |
125 |
f |
[FMT]F:823 |
x,y,z |
1_555 |
3 |
1 |
148 |
17.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.014 |
| 248 |
267 |
|
[EDO]D:511 |
3 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
10966 |
16.0 |
0.6 |
0.925 |
0 |
0 |
0 |
0.000 |
| 249 |
268 |
|
[FMT]F:816 |
2 |
1 |
148 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
10920 |
13.9 |
-0.2 |
0.398 |
0 |
0 |
0 |
0.001 |
| 250 |
269 |
|
E |
1 |
1 |
10920 |
◊ |
C |
x,y,z-1 |
1_554 |
2 |
1 |
10966 |
13.7 |
-0.4 |
0.201 |
0 |
0 |
0 |
0.000 |
| 251 |
270 |
|
[ACT]A:312 |
1 |
1 |
184 |
f |
[FMT]A:303 |
x,y,z |
1_555 |
3 |
1 |
149 |
12.1 |
-0.2 |
0.360 |
0 |
0 |
0 |
0.007 |
| 252 |
271 |
|
[EDO]E:305 |
1 |
1 |
185 |
f |
[FMT]E:304 |
x,y,z |
1_555 |
2 |
1 |
149 |
11.3 |
0.2 |
0.745 |
0 |
0 |
0 |
0.000 |
| 253 |
272 |
|
[FMT]A:308 |
2 |
1 |
148 |
f |
[FMT]A:302 |
x,y,z |
1_555 |
3 |
1 |
148 |
11.2 |
-0.0 |
0.380 |
0 |
0 |
0 |
0.000 |
| 254 |
273 |
|
[EDO]F:812 |
2 |
1 |
183 |
f |
[FMT]F:803 |
x,y,z |
1_555 |
1 |
1 |
149 |
11.1 |
0.4 |
0.577 |
0 |
0 |
0 |
0.000 |
| 255 |
274 |
|
[MLI]E:302 |
3 |
1 |
223 |
f |
[EDO]E:305 |
x,y,z |
1_555 |
1 |
1 |
185 |
10.5 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
| 256 |
275 |
|
[EDO]D:511 |
1 |
1 |
185 |
f |
[FMT]D:509 |
x,y,z |
1_555 |
2 |
1 |
149 |
10.5 |
0.2 |
0.745 |
0 |
0 |
0 |
0.000 |
| 257 |
276 |
|
[FMT]D:517 |
2 |
1 |
148 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
10966 |
10.0 |
0.1 |
0.685 |
0 |
0 |
0 |
0.000 |
| 258 |
277 |
|
F |
1 |
1 |
14280 |
◊ |
[EDO]B:529 |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
184 |
9.6 |
0.4 |
0.926 |
0 |
0 |
0 |
0.000 |
| 259 |
278 |
|
[FMT]H:518 |
1 |
1 |
149 |
f |
F |
x,y,z |
1_555 |
2 |
2 |
14280 |
8.6 |
-0.1 |
0.468 |
0 |
0 |
0 |
0.000 |
| 260 |
279 |
|
[K]D:522 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
14744 |
8.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.012 |
280 |
|
[K]D:522 |
1 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
14506 |
8.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
8.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.012 |
| 261 |
281 |
|
E |
2 |
1 |
10920 |
f |
[EDO]H:521 |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
184 |
7.7 |
0.1 |
0.646 |
0 |
0 |
0 |
0.000 |
| 262 |
282 |
|
[EDO]B:526 |
1 |
1 |
185 |
f |
[FMT]B:508 |
x,y,z |
1_555 |
2 |
1 |
149 |
7.2 |
0.2 |
0.745 |
0 |
0 |
0 |
0.000 |
| 263 |
283 |
|
[FMT]D:516 |
1 |
1 |
149 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
14744 |
7.2 |
0.2 |
0.496 |
0 |
0 |
0 |
0.000 |
| 264 |
284 |
|
[EDO]B:511 |
1 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
10813 |
5.9 |
-0.0 |
0.520 |
0 |
0 |
0 |
0.001 |
| 265 |
285 |
|
[K]D:518 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14744 |
5.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.008 |
| 266 |
286 |
|
[K]G:313 |
1 |
1 |
216 |
f |
[PEG]G:309 |
x,y,z |
1_555 |
1 |
1 |
260 |
5.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.014 |
| 267 |
287 |
|
[EDO]C:306 |
1 |
1 |
184 |
f |
[EDO]C:303 |
x,y,z |
1_555 |
1 |
1 |
184 |
5.5 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 268 |
288 |
|
[FMT]B:519 |
2 |
1 |
149 |
f |
[FMT]B:517 |
x,y,z |
1_555 |
2 |
1 |
149 |
5.1 |
-0.0 |
0.556 |
0 |
0 |
0 |
0.000 |
| 269 |
289 |
|
[FMT]B:519 |
1 |
1 |
149 |
f |
[FMT]B:512 |
x,y,z |
1_555 |
1 |
1 |
149 |
4.9 |
-0.0 |
0.333 |
0 |
0 |
0 |
0.000 |
| 270 |
290 |
|
[MLI]H:530 |
2 |
1 |
224 |
◊ |
[FMT]B:508 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
149 |
4.7 |
0.1 |
0.577 |
0 |
0 |
0 |
0.000 |
| 271 |
291 |
|
[MLI]A:311 |
3 |
1 |
225 |
f |
[FMT]A:308 |
x,y,z |
1_555 |
2 |
1 |
148 |
4.1 |
0.1 |
0.745 |
0 |
0 |
0 |
0.000 |
| 272 |
292 |
|
[FMT]B:518 |
1 |
1 |
149 |
f |
[FMT]B:517 |
x,y,z |
1_555 |
2 |
1 |
149 |
4.1 |
0.0 |
0.430 |
0 |
0 |
0 |
0.000 |
| 273 |
293 |
|
[EPE]H:532 |
1 |
1 |
404 |
f |
[K]D:522 |
x,y,z |
1_555 |
1 |
1 |
216 |
3.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.010 |
| 274 |
294 |
|
[EPE]B:527 |
1 |
1 |
399 |
f |
[K]D:522 |
x,y,z |
1_555 |
1 |
1 |
216 |
3.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.010 |
| 275 |
295 |
|
[FMT]F:821 |
1 |
1 |
149 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
14506 |
3.2 |
0.1 |
0.506 |
0 |
0 |
0 |
0.000 |
| 276 |
296 |
|
[NA]F:825 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
14744 |
2.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
| 277 |
297 |
|
[EDO]B:511 |
1 |
1 |
184 |
f |
[FMT]B:504 |
x,y,z |
1_555 |
1 |
1 |
150 |
1.5 |
0.0 |
0.577 |
0 |
0 |
0 |
0.000 |
| 278 |
298 |
|
[EDO]B:510 |
1 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
1 |
1 |
14506 |
1.3 |
-0.0 |
0.691 |
0 |
0 |
0 |
0.000 |
| 279 |
299 |
|
[MLI]E:302 |
1 |
1 |
223 |
f |
[FMT]E:303 |
x,y,z |
1_555 |
1 |
1 |
149 |
1.2 |
-0.0 |
0.577 |
0 |
0 |
0 |
0.000 |
| 280 |
300 |
|
[FMT]F:824 |
1 |
1 |
148 |
f |
[FMT]F:813 |
x,y,z |
1_555 |
1 |
1 |
149 |
0.9 |
0.0 |
0.333 |
0 |
0 |
0 |
0.000 |
| 281 |
301 |
|
[K]C:308 |
1 |
1 |
216 |
f |
[MLI]C:307 |
x,y,z |
1_555 |
1 |
1 |
225 |
0.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 282 |
302 |
|
[ACT]A:310 |
1 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14744 |
0.3 |
-0.0 |
0.560 |
0 |
0 |
0 |
0.000 |
| 283 |
303 |
|
[PEG]H:513 |
1 |
1 |
255 |
f |
F |
x,y,z |
1_555 |
1 |
1 |
14280 |
0.1 |
0.0 |
0.304 |
0 |
0 |
0 |
0.000 |
|