Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : DDT

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 78


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 0.946 -0.333 7.882
2 C2 C C2 N Y N 0 -0.391 -0.529 8.152
3 C3 C C3 N Y N 0 -1.293 -0.795 7.126
4 C4 C C4 N Y N 0 -0.881 -0.869 5.83
5 C4A C C4A N Y N 0 0.473 -0.676 5.512
6 C5 C C5 N Y N 0 0.926 -0.746 4.183
7 C6 C C6 N Y N 0 2.247 -0.558 3.911
8 C7 C C7 N Y N 0 3.157 -0.285 4.93
9 C8 C C8 N Y N 0 2.753 -0.205 6.227
10 C8A C C8A N Y N 0 1.4 -0.399 6.547
11 C9 C C9 N N N 0 1.383 1.168 9.563
12 C10 C C10 N N N 0 1.677 -1.145 9.902
13 N1 N N1 N N N 0 1.84 -0.068 8.916
14 C11 C C11 S N N 0 -0.8 1.509 2.43
15 C12 C C12 N N N 0 -0.954 2.442 3.604
16 C13 C C13 N N N 0 -1.626 2.031 1.252
17 C14 C C14 N Y N 0 -1.472 1.099 0.078
18 C15 C C15 N Y N 0 -2.345 0.038 -0.078
19 C16 C C16 N Y N 0 -2.206 -0.818 -1.153
20 C17 C C17 N Y N 0 -1.19 -0.613 -2.075
21 C18 C C18 N Y N 0 -0.316 0.452 -1.915
22 C19 C C19 N Y N 0 -0.462 1.308 -0.841
23 S S S N N N 0 -0.205 -1.09 2.878
24 O1 O O1 N N N 0 0.554 -1.025 1.679
25 O2 O O2 N N N 0 -0.964 -2.211 3.311
26 N N N N N N 0 -1.273 0.173 2.803
27 OC1 O OC1 N N N 0 -0.192 3.369 3.742
28 OC2 O OC2 N N N 0 -1.938 2.242 4.495
29 O O O N N N 0 -1.052 -1.454 -3.134
30 S' S S* N N N 0 -1.893 -0.88 -4.265
31 O1' O O1* N N N 0 -2.175 -1.972 -5.129
32 O2' O O2* N N N 0 -2.865 -0.052 -3.641
33 C1' C C1* N Y N 0 1.723 0.068 -7.865
34 C2' C C2* N Y N 0 1.767 -1.291 -8.084
35 C3' C C3* N Y N 0 0.954 -2.156 -7.357
36 C4' C C4* N Y N 0 0.094 -1.686 -6.413
37 C4X C C4A* N Y N 0 0.021 -0.306 -6.155
38 C5' C C5* N Y N 0 -0.86 0.207 -5.189
39 C6' C C6* N Y N 0 -0.909 1.55 -4.968
40 C7' C C7* N Y N 0 -0.1 2.425 -5.689
41 C8' C C8* N Y N 0 0.762 1.962 -6.636
42 C8X C C8A* N Y N 0 0.84 0.584 -6.891
43 C9' C C9* N N N 0 3.927 0.527 -8.319
44 CA' C C10* N N N 0 2.294 0.634 -10.016
45 N1' N N1* N N N 0 2.54 0.925 -8.598
46 HC2 H HC2 N N N 0 -0.743 -0.476 9.171
47 HC3 H HC3 N N N 0 -2.336 -0.945 7.361
48 HC4 H HC4 N N N 0 -1.595 -1.077 5.047
49 HC6 H HC6 N N N 0 2.593 -0.616 2.889
50 HC7 H HC7 N N N 0 4.199 -0.136 4.687
51 HC8 H HC8 N N N 0 3.469 0.007 7.007
52 HC91 H 1HC9 N N N 0 2.055 1.419 10.384
53 HC92 H 2HC9 N N N 0 1.381 1.979 8.834
54 HC93 H 3HC9 N N N 0 0.374 1.025 9.95
55 H101 H 1H10 N N N 0 2.005 -2.089 9.467
56 H102 H 2H10 N N N 0 2.277 -0.924 10.785
57 H103 H 3H10 N N N 0 0.627 -1.221 10.187
58 HC11 H HC11 N N N 0 0.249 1.456 2.143
59 H131 H 1H13 N N N 0 -2.676 2.084 1.539
60 H132 H 2H13 N N N 0 -1.274 3.025 0.975
61 HC15 H HC15 N N N 0 -3.136 -0.12 0.639
62 HC16 H HC16 N N N 0 -2.888 -1.646 -1.275
63 HC18 H HC18 N N N 0 0.476 0.613 -2.631
64 HC19 H HC19 N N N 0 0.217 2.138 -0.716
65 H H H N N N 0 -2.21 0.029 3.005
66 H4'1 H 1H4* N N N 0 -0.529 -2.373 -5.86
67 HXT H HXT N N N 0 -2.036 2.841 5.248
68 H2'1 H 1H2* N N N 0 2.441 -1.69 -8.827
69 H3'1 H 1H3* N N N 0 1.006 -3.218 -7.546
70 H6'1 H 1H6* N N N 0 -1.585 1.942 -4.223
71 H7'1 H 1H7* N N N 0 -0.158 3.486 -5.495
72 H8'1 H 1H8* N N N 0 1.384 2.652 -7.188
73 H9'1 H 1H9* N N N 0 4.608 1.172 -8.873
74 H9'2 H 2H9* N N N 0 4.124 0.621 -7.252
75 H9'3 H 3H9* N N N 0 4.076 -0.507 -8.627
76 HB1 H 1H** N N N 0 2.914 1.283 -10.634
77 HB3 H 3H** N N N 0 1.243 0.809 -10.246
78 HB2 H 2H** N N N 0 2.541 -0.407 -10.221