Table 3 |
|||||||||||
|
The classifications of the tetrahedra around frequent non-metallic ligand atoms. An atom is called frequent, if it appears in at least 100 entries in our data set. |
|||||||||||
|
C C N O |
C C C O |
C C O O |
C N O O |
C C C C |
C N N O |
C O O O |
C C C N |
C C N N |
N N O O |
N O O O |
|
|
|
|||||||||||
|
H |
5590 |
5385 |
5461 |
4678 |
3091 |
2651 |
2899 |
2360 |
1304 |
1328 |
1334 |
|
C |
4218 |
4289 |
3757 |
3295 |
2628 |
1806 |
1777 |
2091 |
1125 |
839 |
886 |
|
O |
1673 |
823 |
1097 |
1470 |
345 |
1373 |
621 |
601 |
623 |
731 |
519 |
|
N |
585 |
554 |
589 |
605 |
195 |
220 |
447 |
307 |
97 |
150 |
187 |
|
P |
41 |
10 |
17 |
30 |
6 |
110 |
17 |
18 |
38 |
64 |
28 |
|
S |
77 |
42 |
43 |
49 |
27 |
31 |
16 |
28 |
21 |
9 |
9 |
|
F |
27 |
40 |
42 |
22 |
31 |
14 |
6 |
18 |
5 |
5 |
2 |
|
|
|||||||||||
|
C N N N |
N N N O |
O O O O |
C C O S |
C C C S |
N N N N |
C N O S |
C O O S |
C C N S |
N N O S |
N O O S |
|
|
|
|||||||||||
|
H |
663 |
583 |
665 |
325 |
298 |
139 |
204 |
187 |
149 |
88 |
66 |
|
C |
422 |
317 |
276 |
226 |
267 |
70 |
132 |
107 |
133 |
50 |
32 |
|
O |
524 |
521 |
133 |
47 |
41 |
214 |
92 |
37 |
45 |
31 |
20 |
|
N |
36 |
40 |
170 |
56 |
29 |
6 |
39 |
33 |
19 |
7 |
7 |
|
P |
70 |
75 |
4 |
1 |
0 |
69 |
0 |
0 |
0 |
0 |
1 |
|
S |
6 |
5 |
3 |
9 |
5 |
1 |
4 |
4 |
1 |
1 |
0 |
|
F |
0 |
2 |
0 |
0 |
2 |
0 |
1 |
0 |
0 |
0 |
0 |
|
|
|||||||||||
|
C N N S |
C C S S |
N O S S |
O O O S |
C N S S |
N N N S |
O O S S |
N N S S |
C O S S |
C N O S E |
C N N S E |
|
|
|
|||||||||||
|
H |
32 |
16 |
2 |
18 |
19 |
5 |
7 |
9 |
7 |
1 |
1 |
|
C |
30 |
59 |
3 |
11 |
11 |
9 |
7 |
2 |
2 |
0 |
0 |
|
O |
29 |
8 |
8 |
3 |
1 |
7 |
0 |
4 |
2 |
0 |
0 |
|
N |
4 |
0 |
2 |
2 |
0 |
0 |
7 |
0 |
3 |
0 |
0 |
|
P |
2 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
|
S |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
2 |
2 |
|
F |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
|
|
|||||||||||
|
Ördög et al. BMC Bioinformatics 2008 9(Suppl 1):S11 doi:10.1186/1471-2105-9-S1-S11 |
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