Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : SQD

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 132


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O6 O O6 N N N 0 2.007 -3.825 -4.611
2 C44 C C44 N N N 0 0.985 -4.183 -3.686
3 C45 C C45 S N N 0 -0.379 -3.804 -4.25
4 C46 C C46 N N N 0 -0.653 -4.514 -5.569
5 O47 O O47 N N N 0 -1.388 -4.201 -3.318
6 C7 C C7 N N N 0 -1.305 -3.635 -2.079
7 O49 O O49 N N N 0 -0.458 -2.833 -1.709
8 C8 C C8 N N N 0 -2.426 -4.146 -1.205
9 C9 C C9 N N N 0 -2.027 -4.218 0.268
10 C10 C C10 N N N 0 -0.866 -5.168 0.585
11 C11 C C11 N N N 0 -0.449 -5.163 2.058
12 C12 C C12 N N N 0 0.725 -6.114 2.302
13 C13 C C13 N N N 0 1.24 -6.093 3.744
14 C14 C C14 N N N 0 2.453 -6.985 4.035
15 C15 C C15 N N N 0 2.944 -6.902 5.482
16 C16 C C16 N N N 0 4.177 -7.782 5.701
17 C17 C C17 N N N 0 4.688 -7.67 7.14
18 C18 C C18 N N N 0 5.903 -8.571 7.367
19 C19 C C19 N N N 0 6.439 -8.523 8.802
20 C20 C C20 N N N 0 7.701 -9.365 9.008
21 C21 C C21 N N N 0 8.232 -9.317 10.443
22 C22 C C22 N N N 0 9.503 -10.126 10.65
23 O48 O O48 N N N 0 -1.954 -4.143 -6.035
24 C23 C C23 N N N 0 -2.341 -4.705 -7.216
25 O10 O O10 N N N 0 -1.683 -5.483 -7.895
26 C24 C C24 N N N 0 -3.724 -4.224 -7.584
27 C25 C C25 N N N 0 -4.202 -4.792 -8.919
28 C26 C C26 N N N 0 -5.619 -4.38 -9.336
29 C27 C C27 N N N 0 -6.038 -4.911 -10.708
30 C28 C C28 N N N 0 -7.451 -4.448 -11.071
31 C29 C C29 N N N 0 -7.896 -4.883 -12.471
32 C30 C C30 N N N 0 -9.282 -4.398 -12.913
33 C31 C C31 N N N 0 -9.664 -4.835 -14.329
34 C32 C C32 N N N 0 -11.038 -4.292 -14.727
35 C33 C C33 N N N 0 -11.402 -4.7 -16.156
36 C34 C C34 N N N 0 -12.788 -4.18 -16.545
37 C35 C C35 N N N 0 -13.218 -4.586 -17.958
38 C36 C C36 N N N 0 -14.57 -4.001 -18.373
39 C37 C C37 N N N 0 -14.999 -4.411 -19.785
40 C38 C C38 N N N 0 -16.327 -3.81 -20.217
41 C1 C C1 N N N 0 3.304 -4.125 -4.097
42 C2 C C2 R N N 0 4.334 -3.712 -5.148
43 O2 O O2 N N N 0 4.165 -4.547 -6.293
44 C3 C C3 S N N 0 5.76 -3.86 -4.618
45 O3 O O3 N N N 0 6.668 -3.208 -5.507
46 C4 C C4 S N N 0 5.907 -3.219 -3.238
47 O4 O O4 N N N 0 7.171 -3.576 -2.684
48 C5 C C5 R N N 0 4.793 -3.688 -2.299
49 C6 C C6 N N N 0 4.849 -2.973 -0.953
50 O5 O O5 N N N 0 3.517 -3.412 -2.881
51 S S S N N N 0 3.552 -3.511 0.105
52 O7 O O7 N N N 0 3.681 -4.942 0.329
53 O8 O O8 N N N 0 4.031 -2.728 1.454
54 O9 O O9 N N N 0 2.299 -2.93 -0.347
55 H441 H 1H44 N N N 0 1.059 -5.259 -3.499
56 H442 H 2H44 N N N 0 1.189 -3.648 -2.753
57 H45 H H45 N N N 0 -0.471 -2.719 -4.37
58 H461 H 1H46 N N N 0 -0.638 -5.602 -5.445
59 H462 H 2H46 N N N 0 0.076 -4.223 -6.332
60 H81 H 1H8 N N N 0 -3.277 -3.467 -1.333
61 H82 H 2H8 N N N 0 -2.759 -5.128 -1.556
62 H91 H 1H9 N N N 0 -1.751 -3.214 0.617
63 H92 H 2H9 N N N 0 -2.905 -4.519 0.853
64 H101 H 1H10 N N N 0 -1.134 -6.188 0.285
65 H102 H 2H10 N N N 0 -0.008 -4.88 -0.035
66 H111 H 1H11 N N N 0 -1.299 -5.467 2.674
67 H112 H 2H11 N N N 0 -0.17 -4.147 2.362
68 H121 H 1H12 N N N 0 0.439 -7.136 2.026
69 H122 H 2H12 N N N 0 1.553 -5.84 1.637
70 H131 H 1H13 N N N 0 0.425 -6.388 4.417
71 H132 H 2H13 N N N 0 1.494 -5.058 4.004
72 H141 H 1H14 N N N 0 2.175 -8.022 3.809
73 H142 H 2H14 N N N 0 3.272 -6.734 3.35
74 H151 H 1H15 N N N 0 2.141 -7.213 6.161
75 H152 H 2H15 N N N 0 3.202 -5.867 5.734
76 H161 H 1H16 N N N 0 4.969 -7.481 5.006
77 H162 H 2H16 N N N 0 3.929 -8.827 5.479
78 H171 H 1H17 N N N 0 4.957 -6.629 7.354
79 H172 H 2H17 N N N 0 3.88 -7.945 7.827
80 H181 H 1H18 N N N 0 5.654 -9.606 7.101
81 H182 H 2H18 N N N 0 6.71 -8.258 6.693
82 H191 H 1H19 N N N 0 6.655 -7.475 9.039
83 H192 H 2H19 N N N 0 5.656 -8.85 9.498
84 H201 H 1H20 N N N 0 7.486 -10.413 8.77
85 H202 H 2H20 N N N 0 8.484 -9.035 8.315
86 H223 H 3H22 N N N 0 10.347 -9.697 10.102
87 H211 H 1H21 N N N 0 7.458 -9.712 11.112
88 H212 H 2H21 N N N 0 8.408 -8.277 10.742
89 H221 H 1H22 N N N 0 9.367 -11.162 10.324
90 H222 H 2H22 N N N 0 9.771 -10.138 11.712
91 H241 H 1H24 N N N 0 -4.403 -4.529 -6.779
92 H242 H 2H24 N N N 0 -3.748 -3.129 -7.608
93 H251 H 1H25 N N N 0 -3.51 -4.481 -9.712
94 H252 H 2H25 N N N 0 -4.148 -5.887 -8.871
95 H261 H 1H26 N N N 0 -6.337 -4.719 -8.579
96 H262 H 2H26 N N N 0 -5.67 -3.284 -9.341
97 H271 H 1H27 N N N 0 -6.004 -6.004 -10.698
98 H272 H 2H27 N N N 0 -5.329 -4.569 -11.472
99 H281 H 1H28 N N N 0 -8.166 -4.815 -10.326
100 H282 H 2H28 N N N 0 -7.493 -3.353 -11.022
101 H291 H 1H29 N N N 0 -7.879 -5.978 -12.526
102 H292 H 2H29 N N N 0 -7.152 -4.527 -13.195
103 H301 H 1H30 N N N 0 -10.021 -4.792 -12.204
104 H302 H 2H30 N N N 0 -9.338 -3.306 -12.833
105 H311 H 1H31 N N N 0 -9.668 -5.93 -14.387
106 H312 H 2H31 N N N 0 -8.921 -4.473 -15.048
107 H321 H 1H32 N N N 0 -11.035 -3.198 -14.646
108 H322 H 2H32 N N N 0 -11.799 -4.666 -14.031
109 H331 H 1H33 N N N 0 -10.653 -4.304 -16.853
110 H332 H 2H33 N N N 0 -11.373 -5.792 -16.233
111 H341 H 1H34 N N N 0 -13.532 -4.528 -15.818
112 H342 H 2H34 N N N 0 -12.784 -3.084 -16.493
113 H351 H 1H35 N N N 0 -12.442 -4.242 -18.651
114 H352 H 2H35 N N N 0 -13.248 -5.68 -18.033
115 H361 H 1H36 N N N 0 -15.347 -4.343 -17.679
116 H362 H 2H36 N N N 0 -14.539 -2.907 -18.301
117 H371 H 1H37 N N N 0 -15.087 -5.503 -19.815
118 H372 H 2H37 N N N 0 -14.221 -4.136 -20.506
119 H381 H 1H38 N N N 0 -17.116 -4.037 -19.493
120 H382 H 2H38 N N N 0 -16.628 -4.222 -21.186
121 H383 H 3H38 N N N 0 -16.26 -2.723 -20.328
122 H1 H H1 N N N 0 3.329 -5.205 -3.907
123 H2 H H2 N N N 0 4.157 -2.681 -5.478
124 HO2 H HO2 N N N 0 4.242 -5.461 -5.979
125 H3 H H3 N N N 0 6.06 -4.914 -4.592
126 HO3 H HO3 N N N 0 7.505 -3.693 -5.446
127 H4 H H4 N N N 0 5.89 -2.127 -3.338
128 HO4 H HO4 N N N 0 7.001 -4.283 -2.042
129 H5 H H5 N N N 0 4.877 -4.765 -2.103
130 H61 H 1H6 N N N 0 4.74 -1.899 -1.091
131 H62 H 2H6 N N N 0 5.793 -3.183 -0.453
132 HO8 H HO8 N N N 0 4.843 -3.087 1.884