Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : CXT

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 97


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 R N N 0 -1.299 -0.127 0.262
2 O1 O O1 N N N 0 -1.276 -1.533 0.009
3 S1 S S1 N N N 0 -5.638 1.441 0.257
4 C2 C C2 R N N 0 -2.54 0.488 -0.389
5 O2 O O2 N N N 0 -0.125 0.475 -0.286
6 S2 S S2 N N N 0 -5.834 -2.851 -0.551
7 C3 C C3 R N N 0 -3.791 -0.205 0.159
8 O3 O O3 N N N 0 -2.597 1.906 -0.083
9 C4 C C4 R N N 0 -3.684 -1.71 -0.101
10 O4 O O4 N N N 0 -4.95 0.312 -0.497
11 C5 C C5 R N N 0 -2.398 -2.24 0.54
12 O5 O O5 N N N 0 -4.812 -2.376 0.471
13 C6 C C6 N N N 0 -2.253 -3.732 0.234
14 O6 O O6 N N N 0 -6.86 1.692 -0.423
15 C7 C C7 N N N 0 -1.985 2.739 -0.94
16 O7 O O7 N N N 0 -5.57 1.102 1.635
17 C8 C C8 N N N 0 -2.002 4.225 -0.688
18 O8 O O8 N N N 0 -4.783 2.688 0.079
19 C9 C C9 N N N 0 -1.24 4.94 -1.805
20 O9 O O9 N N N 0 -5.916 -1.834 -1.54
21 C10 C C10 N N N 0 -1.978 4.747 -3.131
22 O10 O O10 N N N 0 -5.246 -4.074 -1.24
23 C11 C C11 N N N 0 -1.149 6.434 -1.485
24 O11 O O11 N N N 0 -6.958 -3.309 0.188
25 O12 O O12 N N N 0 -1.109 -4.249 0.916
26 O13 O O13 N N N 0 -1.421 2.298 -1.913
27 C21 C C21 N N N 0 2.219 0.108 -0.694
28 O21 O O21 N N N 0 8.238 0.537 -1.126
29 C22 C C22 S N N 0 1.097 0.05 0.34
30 O22 O O22 N N N 0 1.809 -0.46 4.113
31 C23 C C23 N N N 0 1.404 0.984 1.503
32 O23 O O23 N N N 0 3.317 -1.485 2.864
33 C24 C C24 N N N 0 2.758 0.684 2.145
34 O24 O O24 N N N 0 2.263 2.237 4.025
35 C25 C C25 S N N 0 3.858 0.546 1.117
36 O25 O O25 N N N 0 4.083 2.54 2.809
37 C26 C C26 N N N 0 5.2 0.166 1.736
38 C27 C C27 N N N 0 6.304 0.421 0.703
39 C28 C C28 R N N 0 6.052 -0.373 -0.56
40 C29 C C29 S N N 0 4.642 -0.243 -1.099
41 C30 C C30 S N N 0 3.536 -0.373 -0.059
42 C31 C C31 N N N 0 4.411 -1.087 -2.338
43 C32 C C32 N N N 0 5.118 -2.431 -2.345
44 C33 C C33 R N N 0 6.559 -2.312 -1.839
45 C34 C C34 N N N 0 6.467 -1.844 -0.361
46 C35 C C35 S N N 0 7.01 0.084 -1.692
47 C36 C C36 N N N 0 7.235 -1.148 -2.548
48 C37 C C37 N N N 0 2.649 -0.499 3.066
49 C38 C C38 N N N 0 3.085 1.894 3.021
50 C39 C C39 N N N 0 3.364 -1.83 0.355
51 C40 C C40 N N N 0 7.889 -1.202 -3.683
52 H1 H H1 N N N 0 -1.329 0.048 1.338
53 H2 H H2 N N N 0 -2.491 0.349 -1.469
54 H3 H H3 N N N 0 -3.868 -0.023 1.231
55 H4 H H4 N N N 0 -3.659 -1.894 -1.175
56 H5 H H5 N N N 0 -2.443 -2.093 1.619
57 H6 H H6 N N N 0 -3.145 -4.261 0.569
58 H6A H H6A N N N 0 -2.13 -3.872 -0.84
59 H8 H H8 N N N 0 -3.033 4.578 -0.667
60 H8A H H8A N N N 0 -1.526 4.436 0.27
61 HO8 H HO8 N N N 0 -5.133 3.472 0.523
62 H9 H H9 N N N 0 -0.235 4.524 -1.884
63 H10 H H10 N N N 0 -2.042 3.682 -3.359
64 H10A H H10A N N N 0 -2.982 5.163 -3.052
65 H10B H H10B N N N 0 -1.434 5.256 -3.927
66 HO10 H HO10 N N N 0 -5.821 -4.459 -1.916
67 H11 H H11 N N N 0 -0.624 6.572 -0.54
68 H11A H H11A N N N 0 -0.606 6.944 -2.281
69 H11B H H11B N N N 0 -2.154 6.85 -1.406
70 HO12 H HO12 N N N 0 -0.955 -5.193 0.767
71 H21 H H21 N N N 0 1.97 -0.533 -1.537
72 H21A H H21A N N N 0 2.348 1.134 -1.038
73 HO21 H HO21 N N N 0 8.885 0.838 -1.779
74 H22 H H22 N N N 0 0.952 -0.967 0.699
75 HO22 H HO22 N N N 0 1.774 -1.245 4.676
76 H23 H H23 N N N 0 1.4 2.019 1.148
77 H23A H H23A N N N 0 0.622 0.882 2.263
78 HO24 H HO24 N N N 0 2.511 3.009 4.551
79 H25 H H25 N N N 0 4.006 1.563 0.674
80 H26 H H26 N N N 0 5.403 0.774 2.617
81 H26A H H26A N N N 0 5.213 -0.884 2.021
82 H27 H H27 N N N 0 6.331 1.486 0.459
83 H27A H H27A N N N 0 7.267 0.131 1.128
84 H29 H H29 N N N 0 4.562 0.817 -1.459
85 H31 H H31 N N N 0 3.338 -1.253 -2.469
86 H31A H H31A N N N 0 4.748 -0.513 -3.213
87 H32 H H32 N N N 0 4.572 -3.145 -1.727
88 H32A H H32A N N N 0 5.134 -2.821 -3.37
89 H33 H H33 N N N 0 7.117 -3.243 -1.948
90 H34 H H34 N N N 0 7.46 -1.899 0.113
91 H34A H H34A N N N 0 5.768 -2.432 0.213
92 H35 H H35 N N N 0 6.535 0.875 -2.267
93 H39 H H39 N N N 0 4.247 -2.158 0.905
94 H39A H H39A N N N 0 2.484 -1.926 0.991
95 H39B H H39B N N N 0 3.239 -2.448 -0.534
96 H40 H H40 N N N 0 7.987 -2.141 -4.206
97 H40A H H40A N N N 0 8.33 -0.306 -4.094