Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 80T

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 242


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O01 O O1 N N N 0 -3.592 -4.995 -0.051
2 C02 C C1 N N N 0 -4.123 -4.564 -1.047
3 C03 C C2 N N N 0 -5.459 -5.109 -1.484
4 C04 C C3 N N N 0 -5.915 -6.189 -0.501
5 C05 C C4 N N N 0 -7.271 -6.743 -0.945
6 C06 C C5 N N N 0 -7.727 -7.823 0.038
7 C07 C C6 N N N 0 -9.083 -8.377 -0.407
8 C08 C C7 N N N 0 -9.539 -9.457 0.576
9 C09 C C8 N N N 0 -10.895 -10.01 0.132
10 C10 C C9 N N N 0 -11.344 -11.074 1.1
11 C11 C C10 N N N 0 -12.547 -11.023 1.617
12 C12 C C11 N N N 0 -13.528 -9.984 1.141
13 C13 C C12 N N N 0 -14.831 -10.667 0.72
14 C14 C C13 N N N 0 -15.828 -9.611 0.237
15 C15 C C14 N N N 0 -17.13 -10.295 -0.184
16 C16 C C15 N N N 0 -18.127 -9.24 -0.668
17 C17 C C16 N N N 0 -19.429 -9.923 -1.089
18 C18 C C17 N N N 0 -20.426 -8.867 -1.572
19 C19 C C18 N N N 0 -21.728 -9.551 -1.993
20 O20 O O2 N N N 0 -3.528 -3.596 -1.76
21 C21 C C19 R N N 0 -2.246 -3.114 -1.277
22 C22 C C20 N N N 0 -2.47 -1.946 -0.314
23 O23 O O3 N N N 0 -3.067 -0.835 -1.033
24 C24 C C21 N N N 0 -3.242 0.308 -0.351
25 C25 C C22 N N N 0 -3.959 1.467 -0.994
26 C26 C C23 N N N 0 -3.91 2.679 -0.061
27 C27 C C24 N N N 0 -4.736 3.818 -0.66
28 C28 C C25 N N N 0 -4.588 5.068 0.209
29 C29 C C26 N N N 0 -5.507 6.17 -0.32
30 C30 C C27 N N N 0 -5.45 7.377 0.618
31 C31 C C28 N N N 0 -6.459 8.431 0.156
32 C32 C C29 N N N 0 -6.489 9.584 1.161
33 C33 C C30 N N N 0 -7.405 10.692 0.639
34 C34 C C31 N N N 0 -7.531 11.79 1.697
35 C35 C C32 N N N 0 -8.541 12.839 1.226
36 C36 C C33 N N N 0 -8.578 13.996 2.225
37 C37 C C34 N N N 0 -9.496 15.099 1.695
38 C38 C C35 N N N 0 -9.439 16.306 2.634
39 C39 C C36 N N N 0 -10.262 17.452 2.041
40 O40 O O4 N N N 0 -2.823 0.408 0.778
41 C41 C C37 N N N 0 -1.398 -2.644 -2.46
42 O42 O O5 N N N 0 -2.028 -1.522 -3.082
43 P43 P P1 N N N 0 -1.474 -0.841 -4.431
44 O44 O O6 N N N 0 -0.006 -0.237 -4.164
45 C45 C C38 N N N 0 0.779 0.381 -5.185
46 C46 C C39 N N N 0 2.16 0.731 -4.626
47 C47 C C40 N N N 0 3.046 1.265 -5.753
48 O48 O O7 N N N 0 4.376 1.454 -5.264
49 P49 P P2 N N N 0 5.549 2.115 -6.147
50 O50 O O8 N N N 0 6.923 2.103 -5.308
51 C51 C C41 N N N 0 8.177 2.504 -5.864
52 C52 C C42 R N N 0 9.248 2.487 -4.771
53 C53 C C43 N N N 0 8.795 3.362 -3.601
54 O54 O O9 N N N 0 7.492 2.918 -3.141
55 C55 C C44 N N N 0 6.949 3.587 -2.111
56 C56 C C45 N N N 0 5.598 3.184 -1.579
57 C57 C C46 N N N 0 5.214 4.1 -0.415
58 C58 C C47 N N N 0 3.842 3.69 0.125
59 C59 C C48 N N N 0 3.458 4.606 1.289
60 C60 C C49 N N N 0 2.087 4.197 1.829
61 C61 C C50 N N N 0 1.703 5.113 2.993
62 C62 C C51 N N N 0 0.331 4.704 3.533
63 O71 O O10 N N N 0 7.544 4.512 -1.61
64 O72 O O11 N N N 0 9.446 1.125 -4.309
65 C73 C C52 N N N 0 10.643 0.83 -3.776
66 C74 C C53 N N N 0 10.883 -0.528 -3.169
67 C75 C C54 N N N 0 12.269 -0.558 -2.52
68 C76 C C55 N N N 0 12.466 -1.895 -1.802
69 C77 C C56 N N N 0 13.8 -1.878 -1.053
70 C78 C C57 N N N 0 13.943 -3.165 -0.237
71 C79 C C58 N N N 0 15.326 -3.205 0.414
72 C80 C C59 N N N 0 15.425 -4.43 1.326
73 C81 C C60 N N N 0 16.742 -4.406 2.059
74 C82 C C61 N N N 0 16.766 -4.509 3.365
75 C83 C C62 N N N 0 15.499 -4.813 4.121
76 C84 C C63 N N N 0 15.726 -6.022 5.031
77 C85 C C64 N N N 0 14.439 -6.331 5.799
78 C86 C C65 N N N 0 14.666 -7.539 6.709
79 C87 C C66 N N N 0 13.379 -7.848 7.477
80 C88 C C67 N N N 0 13.606 -9.057 8.387
81 C89 C C68 N N N 0 12.319 -9.366 9.155
82 C90 C C69 N N N 0 12.546 -10.574 10.065
83 O91 O O12 N N N 0 11.526 1.654 -3.783
84 O92 O O13 N N N 0 5.155 3.634 -6.511
85 O93 O O14 N N N 0 5.725 1.339 -7.394
86 O94 O O15 N N N 0 2.024 1.729 -3.613
87 H2 H H2 N N N 0 -5.366 -5.541 -2.481
88 O95 O O16 N N N 0 -1.401 -1.859 -5.503
89 O96 O O17 N N N 0 -2.467 0.343 -4.882
90 H1 H H1 N N N 0 -6.192 -4.303 -1.504
91 H3 H H3 N N N 0 -5.182 -6.996 -0.481
92 H4 H H4 N N N 0 -6.008 -5.758 0.495
93 H5 H H5 N N N 0 -8.004 -5.937 -0.965
94 H6 H H6 N N N 0 -7.178 -7.174 -1.942
95 H7 H H7 N N N 0 -6.994 -8.63 0.057
96 H8 H H8 N N N 0 -7.82 -7.392 1.034
97 H9 H H9 N N N 0 -9.816 -7.57 -0.426
98 H10 H H10 N N N 0 -8.99 -8.808 -1.403
99 H11 H H11 N N N 0 -8.806 -10.263 0.596
100 H12 H H12 N N N 0 -9.632 -9.025 1.573
101 H13 H H13 N N N 0 -11.628 -9.204 0.112
102 H14 H H14 N N N 0 -10.802 -10.442 -0.864
103 H15 H H15 N N N 0 -10.675 -11.878 1.368
104 H16 H H16 N N N 0 -12.835 -11.726 2.385
105 H17 H H17 N N N 0 -13.732 -9.279 1.948
106 H18 H H18 N N N 0 -13.107 -9.449 0.29
107 H19 H H19 N N N 0 -14.628 -11.371 -0.086
108 H20 H H20 N N N 0 -15.252 -11.201 1.572
109 H21 H H21 N N N 0 -16.031 -8.907 1.043
110 H22 H H22 N N N 0 -15.406 -9.077 -0.615
111 H23 H H23 N N N 0 -16.927 -10.999 -0.991
112 H24 H H24 N N N 0 -17.552 -10.829 0.667
113 H25 H H25 N N N 0 -18.33 -8.535 0.139
114 H26 H H26 N N N 0 -17.705 -8.705 -1.519
115 H27 H H27 N N N 0 -19.226 -10.627 -1.895
116 H28 H H28 N N N 0 -19.851 -10.457 -0.237
117 H29 H H29 N N N 0 -20.629 -8.163 -0.766
118 H30 H H30 N N N 0 -20.004 -8.333 -2.424
119 H31 H H31 N N N 0 -22.15 -10.085 -1.142
120 H32 H H32 N N N 0 -22.438 -8.799 -2.338
121 H33 H H33 N N N 0 -21.525 -10.255 -2.8
122 H34 H H34 N N N 0 -1.728 -3.92 -0.756
123 H35 H H35 N N N 0 -3.138 -2.26 0.489
124 H36 H H36 N N N 0 -1.515 -1.635 0.108
125 H37 H H37 N N N 0 -3.475 1.715 -1.938
126 H38 H H38 N N N 0 -4.998 1.193 -1.179
127 H39 H H39 N N N 0 -4.32 2.405 0.912
128 H40 H H40 N N N 0 -2.876 3.003 0.059
129 H41 H H41 N N N 0 -4.381 4.033 -1.668
130 H42 H H42 N N N 0 -5.785 3.525 -0.7
131 H43 H H43 N N N 0 -4.861 4.83 1.237
132 H44 H H44 N N N 0 -3.554 5.412 0.179
133 H45 H H45 N N N 0 -5.18 6.469 -1.316
134 H46 H H46 N N N 0 -6.53 5.797 -0.371
135 H47 H H47 N N N 0 -5.695 7.061 1.632
136 H48 H H48 N N N 0 -4.447 7.803 0.602
137 H49 H H49 N N N 0 -6.165 8.81 -0.823
138 H50 H H50 N N N 0 -7.449 7.981 0.089
139 H51 H H51 N N N 0 -6.865 9.222 2.118
140 H52 H H52 N N N 0 -5.481 9.977 1.293
141 H53 H H53 N N N 0 -6.982 11.113 -0.273
142 H54 H H54 N N N 0 -8.391 10.278 0.426
143 H55 H H55 N N N 0 -7.872 11.353 2.635
144 H56 H H56 N N N 0 -6.561 12.263 1.848
145 H57 H H57 N N N 0 -8.245 13.214 0.246
146 H58 H H58 N N N 0 -9.53 12.386 1.158
147 H59 H H59 N N N 0 -8.956 13.638 3.183
148 H60 H H60 N N N 0 -7.572 14.394 2.358
149 H61 H H61 N N N 0 -9.168 15.398 0.699
150 H62 H H62 N N N 0 -10.519 14.727 1.643
151 H63 H H63 N N N 0 -9.849 16.03 3.605
152 H64 H H64 N N N 0 -8.404 16.625 2.753
153 H65 H H65 N N N 0 -10.294 18.28 2.749
154 H66 H H66 N N N 0 -9.801 17.787 1.111
155 H67 H H67 N N N 0 -11.276 17.106 1.84
156 H68 H H68 N N N 0 -0.409 -2.355 -2.106
157 H69 H H69 N N N 0 -1.303 -3.454 -3.184
158 H70 H H70 N N N 0 0.891 -0.306 -6.024
159 H71 H H71 N N N 0 0.283 1.291 -5.524
160 H72 H H72 N N N 0 2.615 -0.162 -4.198
161 H73 H H73 N N N 0 3.06 0.549 -6.575
162 H74 H H74 N N N 0 2.65 2.216 -6.107
163 H75 H H75 N N N 0 8.459 1.814 -6.66
164 H76 H H76 N N N 0 8.089 3.511 -6.271
165 H77 H H77 N N N 0 10.184 2.874 -5.174
166 H78 H H78 N N N 0 9.515 3.28 -2.786
167 H79 H H79 N N N 0 8.732 4.4 -3.926
168 H80 H H80 N N N 0 4.854 3.272 -2.371
169 H81 H H81 N N N 0 5.638 2.152 -1.231
170 H82 H H82 N N N 0 5.957 4.012 0.377
171 H83 H H83 N N N 0 5.174 5.132 -0.763
172 H84 H H84 N N N 0 3.099 3.779 -0.667
173 H85 H H85 N N N 0 3.882 2.658 0.473
174 H86 H H86 N N N 0 4.202 4.518 2.081
175 H87 H H87 N N N 0 3.419 5.639 0.941
176 H88 H H88 N N N 0 1.343 4.285 1.037
177 H92 H H92 N N N 0 -0.412 4.792 2.741
178 H89 H H89 N N N 0 2.126 3.165 2.177
179 H90 H H90 N N N 0 2.446 5.025 3.785
180 H91 H H91 N N N 0 1.663 6.145 2.645
181 H93 H H93 N N N 0 0.371 3.671 3.881
182 H95 H H95 N N N 0 10.124 -0.728 -2.413
183 H96 H H96 N N N 0 10.83 -1.288 -3.948
184 H97 H H97 N N N 0 13.033 -0.442 -3.289
185 H98 H H98 N N N 0 12.351 0.257 -1.801
186 H99 H H99 N N N 0 11.653 -2.05 -1.093
187 H100 H H100 N N N 0 12.47 -2.703 -2.533
188 H101 H H101 N N N 0 14.619 -1.81 -1.77
189 H102 H H102 N N N 0 13.831 -1.019 -0.384
190 H103 H H103 N N N 0 13.176 -3.192 0.536
191 H104 H H104 N N N 0 13.825 -4.027 -0.895
192 H105 H H105 N N N 0 16.091 -3.266 -0.36
193 H106 H H106 N N N 0 15.477 -2.301 1.003
194 H107 H H107 N N N 0 14.608 -4.414 2.047
195 H108 H H108 N N N 0 15.361 -5.337 0.725
196 H109 H H109 N N N 0 17.665 -4.304 1.508
197 H110 H H110 N N N 0 17.695 -4.375 3.899
198 H111 H H111 N N N 0 15.22 -3.95 4.725
199 H112 H H112 N N N 0 14.699 -5.036 3.414
200 H113 H H113 N N N 0 16.005 -6.885 4.427
201 H114 H H114 N N N 0 16.526 -5.799 5.738
202 H115 H H115 N N N 0 14.16 -5.468 6.403
203 H116 H H116 N N N 0 13.639 -6.553 5.092
204 H117 H H117 N N N 0 14.945 -8.402 6.105
205 H118 H H118 N N N 0 15.466 -7.317 7.416
206 H119 H H119 N N N 0 13.1 -6.985 8.081
207 H120 H H120 N N N 0 12.579 -8.071 6.77
208 H121 H H121 N N N 0 13.885 -9.92 7.783
209 H122 H H122 N N N 0 14.406 -8.834 9.094
210 H123 H H123 N N N 0 12.04 -8.503 9.759
211 H124 H H124 N N N 0 11.519 -9.588 8.448
212 H125 H H125 N N N 0 12.825 -11.438 9.461
213 H126 H H126 N N N 0 13.346 -10.352 10.771
214 H127 H H127 N N N 0 11.629 -10.795 10.612
215 H128 H H128 N N N 0 5.024 4.202 -5.74
216 H129 H H129 N N N 0 1.625 2.553 -3.924
217 H130 H H130 N N N 0 -2.563 1.047 -4.226
218 C1 C C70 N N N 0 -0.053 5.62 4.697
219 C2 C C71 N N N 0 -1.424 5.21 5.237
220 C3 C C72 N N N 0 -1.808 6.126 6.401
221 C4 C C73 N N N 0 -3.18 5.717 6.941
222 C5 C C74 N N N 0 -3.564 6.633 8.105
223 C6 C C75 N N N 0 -4.936 6.223 8.645
224 C7 C C76 N N N 0 -5.32 7.139 9.809
225 C8 C C77 N N N 0 -6.691 6.73 10.349
226 H94 H H94 N N N 0 0.691 5.531 5.489
227 H131 H H131 N N N 0 -0.093 6.652 4.349
228 H132 H H132 N N N 0 -2.168 5.298 4.445
229 H133 H H133 N N N 0 -1.385 4.178 5.585
230 H134 H H134 N N N 0 -1.065 6.038 7.193
231 H135 H H135 N N N 0 -1.848 7.158 6.053
232 H136 H H136 N N N 0 -3.924 5.805 6.149
233 H137 H H137 N N N 0 -3.14 4.685 7.289
234 H138 H H138 N N N 0 -2.821 6.545 8.897
235 H139 H H139 N N N 0 -3.604 7.665 7.757
236 H140 H H140 N N N 0 -5.679 6.312 7.853
237 H141 H H141 N N N 0 -4.896 5.191 8.993
238 H142 H H142 N N N 0 -4.576 7.051 10.601
239 H143 H H143 N N N 0 -5.359 8.172 9.461
240 H144 H H144 N N N 0 -7.435 6.818 9.557
241 H145 H H145 N N N 0 -6.652 5.698 10.697
242 H146 H H146 N N N 0 -6.965 7.383 11.178