Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : BV4

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 249


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O31 O O31 N N N 0 -1.783 -24.571 30.78
2 C73 C C73 N N N 0 -0.977 -23.422 30.541
3 C72 C C72 N N N 0 -1.648 -22.507 29.516
4 O30 O O30 N N N 0 -2.865 -22.005 30.059
5 C71 C C71 N N N 0 -0.717 -21.347 29.154
6 O29 O O29 N N N 0 -0.547 -20.498 30.292
7 C70 C C70 N N N 0 0.656 -21.881 28.725
8 C75 C C75 N N N 0 1.66 -20.762 28.468
9 O32 O O32 N N N 0 2.896 -21.342 28.09
10 O28 O O28 N N N 0 1.213 -22.727 29.743
11 C74 C C74 N N N 0 0.403 -23.865 30.049
12 O25 O O25 N N N 0 0.269 -24.739 28.929
13 C66 C C66 N Y N 0 1.234 -25.696 28.781
14 C65 C C65 N Y N 0 2.563 -25.318 28.62
15 C67 C C67 N Y N 0 0.879 -27.042 28.79
16 C68 C C68 N Y N 0 1.863 -28.019 28.638
17 N14 N N14 N N N 1 1.507 -29.393 28.647
18 O27 O O27 N N N -1 2.408 -30.256 28.509
19 C69 C C69 N Y N 0 3.198 -27.645 28.477
20 O26 O O26 N N N 0 0.301 -29.708 28.793
21 C64 C C64 N Y N 0 3.548 -26.295 28.468
22 C13 C C13 N N N 0 4.939 -25.905 28.302
23 O24 O O24 N N N 0 5.855 -26.676 28.636
24 N13 N N13 N N N 0 5.183 -24.648 27.735
25 O2 O O2 N N N 0 12.128 -5.419 -8.703
26 O1 O O1 N N N 0 13.684 -6.633 -6.799
27 C1 C C1 N N N 0 13.144 -5.347 -6.548
28 C2 C C2 N N N 0 11.834 -5.211 -7.314
29 C3 C C3 N N N 0 10.958 -5.422 -9.527
30 O3 O O3 N N N 0 11.3 -5.683 -10.887
31 C4 C C4 N Y N 0 11.939 -6.855 -11.151
32 C5 C C5 N Y N 0 11.326 -8.069 -10.842
33 C6 C C6 N Y N 0 11.996 -9.243 -11.119
34 C7 C C7 N Y N 0 13.251 -9.258 -11.692
35 C8 C C8 N Y N 0 13.864 -8.043 -12.001
36 C9 C C9 N Y N 0 13.208 -6.842 -11.731
37 N1 N N1 N N N 1 15.155 -8.03 -12.592
38 O4 O O4 N N N -1 15.727 -9.122 -12.827
39 O5 O O5 N N N 0 15.688 -6.927 -12.863
40 C10 C C10 N N N 0 11.342 -10.536 -10.79
41 O6 O O6 N N N 0 11.651 -11.543 -11.422
42 N2 N N2 N N N 0 10.421 -10.509 -9.749
43 C11 C C11 N N N 0 9.724 -11.683 -9.299
44 C12 C C12 N N N 0 10.475 -12.422 -8.193
45 C14 C C14 N N N 0 10.733 -11.574 -6.95
46 N3 N N3 N N N 0 9.5 -11.069 -6.349
47 C15 C C15 N N N 0 8.662 -12.176 -5.871
48 C16 C C16 N N N 0 7.37 -11.648 -5.239
49 N4 N N4 N N N 0 7.665 -10.718 -4.142
50 C17 C C17 N N N 0 8.504 -9.612 -4.62
51 C18 C C18 N N N 0 9.797 -10.14 -5.251
52 C19 C C19 N N N 0 6.432 -10.212 -3.543
53 C20 C C20 N N N 0 5.6 -11.316 -2.894
54 C21 C C21 N N N 0 6.337 -12.077 -1.793
55 N5 N N5 N N N 0 7.54 -12.757 -2.287
56 C22 C C22 N Y N 0 8.325 -13.453 -1.509
57 C23 C C23 N Y N 0 8.449 -13.828 -0.232
58 N6 N N6 N N N 0 7.817 -13.678 0.932
59 C24 C C24 N N N 0 6.608 -12.913 1.072
60 C25 C C25 N N N 0 6.102 -12.878 2.508
61 C26 C C26 N N N 0 7.099 -12.243 3.47
62 O7 O O7 N N N 0 6.55 -12.27 4.78
63 C27 C C27 N N N 0 7.437 -11.689 5.729
64 C28 C C28 N N N 0 6.788 -11.726 7.099
65 O8 O O8 N N N 0 5.585 -10.972 7.063
66 C29 C C29 N N N 0 4.931 -10.971 8.327
67 C30 C C30 N N N 0 3.658 -10.154 8.225
68 O9 O O9 N N N 0 3.992 -8.818 7.872
69 C31 C C31 N N N 0 2.831 -8.008 7.74
70 C32 C C32 N N N 0 3.259 -6.596 7.362
71 C33 C C33 N N N 0 2.082 -5.641 7.214
72 N7 N N7 N N N 0 1.327 -5.5 8.438
73 C34 C C34 N N N 0 1.598 -4.549 9.399
74 O10 O O10 N N N 0 2.494 -3.714 9.347
75 O11 O O11 N N N 0 0.712 -4.667 10.438
76 C35 C C35 N N N 0 0.874 -3.744 11.509
77 C36 C C36 N N N 0 1.825 -4.334 12.548
78 N8 N N8 N N N 0 2.042 -3.388 13.623
79 C37 C C37 N N N 0 1.28 -5.645 13.108
80 O12 O O12 N N N 0 2.213 -6.183 14.052
81 C38 C C38 N N N 0 1.854 -7.364 14.638
82 O13 O O13 N N N 0 0.811 -7.967 14.407
83 N9 N N9 N N N 0 2.837 -7.77 15.522
84 C39 C C39 N N N 0 2.768 -8.975 16.303
85 C40 C C40 N N N 0 3.378 -10.171 15.585
86 C41 C C41 N N N 0 4.856 -9.979 15.266
87 O14 O O14 N N N 0 5.331 -11.132 14.586
88 C42 C C42 N N N 0 6.71 -11.013 14.259
89 C43 C C43 N N N 0 7.164 -12.279 13.559
90 O15 O O15 N N N 0 6.986 -13.383 14.435
91 C44 C C44 N N N 0 7.396 -14.602 13.829
92 C45 C C45 N N N 0 7.183 -15.739 14.809
93 O16 O O16 N N N 0 7.971 -15.506 15.968
94 C46 C C46 N N N 0 7.794 -16.534 16.935
95 C47 C C47 N N N 0 8.664 -16.222 18.146
96 C48 C C48 N N N 0 8.557 -17.28 19.237
97 N10 N N10 N N N 0 8.985 -18.607 18.778
98 C49 C C49 N Y N 0 8.955 -19.661 19.548
99 C50 C C50 N Y N 0 8.627 -20.028 20.791
100 N11 N N11 N N N 0 8.148 -19.486 21.911
101 C51 C C51 N N N 0 7.818 -18.092 22.026
102 C52 C C52 N N N 0 7.273 -17.73 23.406
103 C53 C C53 N N N 0 5.986 -18.465 23.773
104 N12 N N12 N N N 0 6.145 -19.918 23.757
105 C54 C C54 N N N 0 7.115 -20.347 24.772
106 C55 C C55 N N N 0 7.281 -21.871 24.76
107 N15 N N15 N N N 0 5.99 -22.538 24.969
108 C56 C C56 N N N 0 5.022 -22.11 23.952
109 C57 C C57 N N N 0 4.855 -20.587 23.965
110 C58 C C58 N N N 0 6.149 -23.991 24.955
111 C59 C C59 N N N 0 7.029 -24.495 26.097
112 C61 C C61 N Y N 0 8.985 -21.412 20.584
113 O17 O O17 N N N 0 9.027 -22.477 21.141
114 C62 C C62 N Y N 0 9.353 -21.025 19.207
115 O18 O O18 N N N 0 9.786 -21.679 18.295
116 C63 C C63 N Y N 0 9.664 -14.575 -0.466
117 O19 O O19 N N N 0 10.49 -15.248 0.093
118 C76 C C76 N Y N 0 9.542 -14.171 -1.881
119 O20 O O20 N N N 0 10.238 -14.412 -2.832
120 C77 C C77 N N N 0 10.23 -4.078 -9.453
121 O21 O O21 N N N 0 11.051 -3.059 -10.027
122 C78 C C78 N N N 0 9.91 -3.748 -7.993
123 O22 O O22 N N N 0 9.333 -2.453 -7.879
124 C79 C C79 N N N 0 11.153 -3.85 -7.103
125 O23 O O23 N N N 0 12.052 -2.789 -7.426
126 H31 H H31 N N N 0 -1.177 -25.29 31.019
127 H73 H H73 N N N 0 -0.882 -22.891 31.496
128 H72 H H72 N N N 0 -1.913 -23.077 28.618
129 H30 H H30 N N N 0 -3.195 -22.682 30.671
130 H71 H H71 N N N 0 -1.164 -20.731 28.366
131 H29 H H29 N N N 0 -0.472 -21.084 31.059
132 H70 H H70 N N N 0 0.559 -22.462 27.8
133 H751 H 1H75 N N N 0 1.802 -20.173 29.375
134 H752 H 2H75 N N N 0 1.304 -20.118 27.664
135 H32 H H32 N N N 0 2.842 -22.289 28.301
136 H74 H H74 N N N 0 0.908 -24.438 30.832
137 H65 H H65 N N N 0 2.832 -24.264 28.614
138 H67 H H67 N N N 0 -0.163 -27.326 28.916
139 H69 H H69 N N N 0 3.967 -28.405 28.358
140 C60 C C60 N N N 0 6.509 -24.129 27.485
141 H13 H H13 N N N 0 4.4 -24.084 27.422
142 HO1 H HO1 N N N 0 14.632 -6.59 -6.591
143 H11A H 1H1 N N N 0 12.965 -5.235 -5.478
144 H12 H 2H1 N N N 0 13.853 -4.589 -6.882
145 H2 H H2 N N N 0 11.16 -6.011 -6.982
146 H3 H H3 N N N 0 10.291 -6.227 -9.192
147 H5 H H5 N N N 0 10.337 -8.074 -10.39
148 H7 H H7 N N N 0 13.76 -10.196 -11.902
149 H9 H H9 N N N 0 13.68 -5.892 -11.97
150 HN2 H HN2 N N N 0 10.266 -9.645 -9.234
151 H111 H 1H11 N N N 0 8.749 -11.351 -8.929
152 H112 H 2H11 N N N 0 9.555 -12.326 -10.168
153 H121 H 1H12 N N N 0 9.903 -13.31 -7.898
154 H122 H 2H12 N N N 0 11.432 -12.775 -8.596
155 H141 H 1H14 N N N 0 11.272 -12.139 -6.183
156 H142 H 2H14 N N N 0 11.338 -10.7 -7.214
157 H151 H 1H15 N N N 0 9.208 -12.79 -5.142
158 H152 H 2H15 N N N 0 8.398 -12.826 -6.713
159 H161 H 1H16 N N N 0 6.753 -11.16 -6.006
160 H162 H 2H16 N N N 0 6.796 -12.5 -4.853
161 H171 H 1H17 N N N 0 8.769 -8.961 -3.777
162 H172 H 2H17 N N N 0 7.959 -8.997 -5.349
163 H181 H 1H18 N N N 0 10.37 -9.288 -5.637
164 H182 H 2H18 N N N 0 10.412 -10.629 -4.484
165 H191 H 1H19 N N N 0 5.869 -9.693 -4.325
166 H192 H 2H19 N N N 0 6.724 -9.474 -2.79
167 H201 H 1H20 N N N 0 5.285 -12.021 -3.673
168 H202 H 2H20 N N N 0 4.689 -10.88 -2.467
169 H211 H 1H21 N N N 0 5.685 -12.849 -1.374
170 H212 H 2H21 N N N 0 6.639 -11.411 -0.979
171 HN5 H HN5 N N N 0 7.757 -12.672 -3.28
172 HN6 H HN6 N N N 0 8.228 -14.137 1.749
173 H252 H 2H25 N N N 0 5.859 -13.891 2.853
174 H241 H 1H24 N N N 0 5.861 -13.376 0.421
175 H242 H 2H24 N N N 0 6.807 -11.903 0.7
176 H251 H 1H25 N N N 0 5.162 -12.314 2.547
177 H261 H 1H26 N N N 0 8.045 -12.793 3.482
178 H262 H 2H26 N N N 0 7.295 -11.201 3.197
179 H271 H 1H27 N N N 0 8.37 -12.261 5.719
180 H272 H 2H27 N N N 0 7.634 -10.657 5.426
181 H281 H 1H28 N N N 0 7.443 -11.286 7.858
182 H282 H 2H28 N N N 0 6.54 -12.754 7.378
183 H291 H 1H29 N N N 0 4.714 -12.009 8.598
184 H292 H 2H29 N N N 0 5.611 -10.532 9.063
185 H301 H 1H30 N N N 0 3.127 -10.131 9.182
186 H302 H 2H30 N N N 0 3.003 -10.56 7.449
187 H311 H 1H31 N N N 0 2.294 -8.018 8.694
188 H312 H 2H31 N N N 0 2.19 -8.442 6.966
189 H321 H 1H32 N N N 0 3.815 -6.634 6.416
190 H322 H 2H32 N N N 0 3.967 -6.218 8.11
191 H331 H 1H33 N N N 0 2.438 -4.643 6.942
192 H332 H 2H33 N N N 0 1.394 -5.983 6.434
193 HN7 H HN7 N N N 0 0.553 -6.137 8.599
194 H351 H 1H35 N N N 0 1.257 -2.802 11.101
195 H352 H 2H35 N N N 0 -0.114 -3.564 11.946
196 H36 H H36 N N N 0 2.814 -4.495 12.102
197 HN81 H 1HN8 N N N 0 2.981 -3.11 13.837
198 HN82 H 2HN8 N N N 0 1.286 -3.194 14.252
199 H371 H 1H37 N N N 0 1.149 -6.384 12.31
200 H372 H 2H37 N N N 0 0.32 -5.497 13.615
201 H401 H 1H40 N N N 0 3.263 -11.066 16.21
202 HN9 H HN9 N N N 0 3.661 -7.179 15.626
203 H391 H 1H39 N N N 0 1.709 -9.16 16.51
204 H392 H 2H39 N N N 0 3.275 -8.786 17.255
205 H402 H 2H40 N N N 0 2.831 -10.382 14.657
206 H411 H 1H41 N N N 0 5.012 -9.109 14.62
207 H412 H 2H41 N N N 0 5.439 -9.851 16.184
208 H421 H 1H42 N N N 0 6.833 -10.139 13.613
209 H422 H 2H42 N N N 0 7.271 -10.867 15.187
210 H431 H 1H43 N N N 0 8.224 -12.224 13.291
211 H432 H 2H43 N N N 0 6.566 -12.455 12.66
212 H441 H 1H44 N N N 0 6.803 -14.747 12.92
213 H442 H 2H44 N N N 0 8.455 -14.515 13.568
214 H451 H 1H45 N N N 0 7.489 -16.696 14.375
215 H452 H 2H45 N N N 0 6.133 -15.791 15.113
216 H461 H 1H46 N N N 0 8.075 -17.488 16.479
217 H462 H 2H46 N N N 0 6.736 -16.569 17.213
218 H471 H 1H47 N N N 0 8.368 -15.248 18.556
219 H472 H 2H47 N N N 0 9.707 -16.108 17.825
220 H481 H 1H48 N N N 0 9.197 -17.013 20.084
221 H482 H 2H48 N N N 0 7.528 -17.367 19.601
222 H10 H H10 N N N 0 9.316 -18.689 17.817
223 H11 H H11 N N N 0 8.017 -20.109 22.712
224 H511 H 1H51 N N N 0 8.738 -17.531 21.83
225 H512 H 2H51 N N N 0 7.101 -17.852 21.236
226 H521 H 1H52 N N N 0 8.032 -17.954 24.166
227 H522 H 2H52 N N N 0 7.095 -16.648 23.439
228 H531 H 1H53 N N N 0 5.629 -18.179 24.766
229 H532 H 2H53 N N N 0 5.2 -18.224 23.049
230 H541 H 1H54 N N N 0 6.803 -20.016 25.772
231 H542 H 2H54 N N N 0 8.09 -19.889 24.566
232 H551 H 1H55 N N N 0 7.733 -22.187 23.811
233 H552 H 2H55 N N N 0 7.974 -22.152 25.562
234 H561 H 1H56 N N N 0 4.047 -22.569 24.158
235 H562 H 2H56 N N N 0 5.335 -22.441 22.952
236 H571 H 1H57 N N N 0 4.163 -20.305 23.163
237 H572 H 2H57 N N N 0 4.402 -20.271 24.915
238 H581 H 1H58 N N N 0 6.556 -24.274 23.98
239 H582 H 2H58 N N N 0 5.146 -24.421 25.041
240 H591 H 1H59 N N N 0 8.038 -24.084 25.968
241 H592 H 2H59 N N N 0 7.116 -25.587 26.033
242 H601 H 1H60 N N N 0 6.447 -23.041 27.584
243 H602 H 2H60 N N N 0 7.169 -24.504 28.273
244 H77 H H77 N N N 0 9.315 -4.098 -10.055
245 H21 H H21 N N N 0 11.549 -2.667 -9.294
246 H78 H H78 N N N 0 9.166 -4.466 -7.626
247 H22 H H22 N N N 0 9.701 -2.053 -7.075
248 H79 H H79 N N N 0 10.865 -3.713 -6.054
249 H23 H H23 N N N 0 12.462 -2.514 -6.592