Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : L88

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 141


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O2 O O2 N N N 0 8.442 0.457 -2.354
2 C11 C C11 N N N 0 8.878 0.73 -1.255
3 C12 C C12 N N N 0 9.862 -0.194 -0.585
4 C13 C C13 N N N 0 10.14 -1.391 -1.496
5 C27 C C27 N Y N 0 11.125 -2.314 -0.826
6 C14 C C14 N Y N 0 10.667 -3.334 -0.01
7 C17 C C17 N Y N 0 11.563 -4.183 0.607
8 C16 C C16 N Y N 0 12.934 -4.011 0.406
9 C18 C C18 N Y N 0 13.9 -4.917 1.064
10 S7 S S7 N Y N 0 13.472 -6.257 2.118
11 C29 C C29 N Y N 0 15.167 -6.665 2.349
12 C20 C C20 N Y N 0 15.939 -5.808 1.651
13 C21 C C21 N Y N 0 17.421 -5.89 1.642
14 C26 C C26 N Y N 0 18.071 -6.881 2.375
15 C25 C C25 N Y N 0 19.449 -6.953 2.363
16 C24 C C24 N Y N 0 20.185 -6.043 1.626
17 C23 C C23 N Y N 0 19.545 -5.057 0.897
18 C22 C C22 N Y N 0 18.167 -4.98 0.896
19 C19 C C19 N Y N 0 15.237 -4.842 0.942
20 C15 C C15 N Y N 0 13.389 -2.98 -0.418
21 C28 C C28 N Y N 0 12.482 -2.142 -1.033
22 N2 N N2 N N N 0 8.486 1.861 -0.637
23 C7 C C7 R N N 0 7.534 2.762 -1.291
24 C8 C C8 N N N 0 8.288 3.708 -2.228
25 C9 C C9 N N N 0 8.927 2.903 -3.361
26 C10 C C10 N N N 0 9.67 3.835 -4.283
27 O4 O O4 N N N 0 10.313 3.347 -5.355
28 O4E O O4E N N N 0 9.686 5.022 -4.057
29 C6 C C6 N N N 0 6.803 3.565 -0.247
30 O1 O O1 N N N 0 7.054 3.402 0.929
31 N1 N N1 N N N 0 5.872 4.466 -0.618
32 C53 C C53 N N N 0 5.162 5.247 0.397
33 C54 C C54 N N N 0 4.167 6.187 -0.286
34 C55 C C55 N N N 0 3.425 7.003 0.775
35 O56 O O56 N N N 0 2.496 7.882 0.137
36 C57 C C57 N N N 0 1.747 8.693 1.043
37 C58 C C58 N N N 0 0.79 9.589 0.254
38 O67 O O67 N N N 0 -0.178 8.778 -0.416
39 C68 C C68 N N N 0 -1.125 9.521 -1.186
40 C69 C C69 N N N 0 -2.107 8.557 -1.855
41 O70 O O70 N N N 0 -2.875 7.888 -0.852
42 C71 C C71 N N N 0 -3.828 6.959 -1.374
43 C72 C C72 N N N 0 -4.589 6.307 -0.218
44 C73 C C73 N N N 0 -5.609 5.312 -0.776
45 N74 N N74 N N N 0 -6.338 4.687 0.331
46 C75 C C75 N N N 0 -7.293 3.771 0.076
47 O77 O O77 N N N 0 -7.55 3.464 -1.069
48 C76 C C76 R N N 0 -8.043 3.129 1.215
49 C78 C C78 N N N 0 -8.77 4.207 2.02
50 C83 C C83 N N N 0 -9.429 3.571 3.246
51 C79 C C79 N N N 0 -10.145 4.634 4.039
52 O80 O O80 N N N 0 -10.13 5.782 3.663
53 O81 O O81 N N N 0 -10.799 4.305 5.164
54 N82 N N82 N N N 0 -9.02 2.176 0.68
55 C84 C C84 N N N 0 -9.44 1.145 1.439
56 O85 O O85 N N N 0 -9.009 1.004 2.564
57 C86 C C86 N N N 0 -10.444 0.165 0.889
58 C5 C C5 N N N 0 -10.748 -0.9 1.944
59 C87 C C87 N Y N 0 -11.753 -1.88 1.395
60 C88 C C88 N Y N 0 -13.106 -1.647 1.565
61 C89 C C89 N Y N 0 -14.031 -2.54 1.064
62 C90 C C90 N Y N 0 -13.599 -3.68 0.384
63 C91 C C91 N Y N 0 -12.233 -3.908 0.215
64 C92 C C92 N Y N 0 -11.318 -3.005 0.716
65 C93 C C93 N Y N 0 -14.585 -4.641 -0.155
66 C94 C C94 N Y N 0 -14.281 -5.769 -0.82
67 C95 C C95 N Y N 0 -15.379 -6.515 -1.23
68 C96 C C96 N Y N 0 -16.573 -5.986 -0.896
69 S97 S S97 N Y N 0 -16.33 -4.483 -0.017
70 C98 C C98 N Y N 0 -15.248 -7.791 -1.977
71 C99 C C99 N Y N 0 -13.985 -8.291 -2.29
72 C1 C C1 N Y N 0 -13.869 -9.478 -2.985
73 C2 C C2 N Y N 0 -15.003 -10.17 -3.371
74 C3 C C3 N Y N 0 -16.259 -9.678 -3.063
75 C4 C C4 N Y N 0 -16.386 -8.495 -2.363
76 H1 H H1 N N N 0 10.792 0.342 -0.396
77 H2 H H2 N N N 0 9.446 -0.545 0.359
78 H3 H H3 N N N 0 9.21 -1.927 -1.686
79 H4 H H4 N N N 0 10.556 -1.04 -2.441
80 H5 H H5 N N N 0 9.607 -3.466 0.144
81 H6 H H6 N N N 0 11.205 -4.978 1.243
82 H7 H H7 N N N 0 15.534 -7.478 2.957
83 H8 H H8 N N N 0 17.497 -7.592 2.951
84 H9 H H9 N N N 0 19.954 -7.721 2.93
85 H10 H H10 N N N 0 21.264 -6.102 1.619
86 H11 H H11 N N N 0 20.125 -4.348 0.324
87 H12 H H12 N N N 0 17.669 -4.209 0.327
88 H13 H H13 N N N 0 15.726 -4.094 0.335
89 H14 H H14 N N N 0 14.448 -2.844 -0.58
90 H15 H H15 N N N 0 12.833 -1.344 -1.671
91 H16 H H16 N N N 0 8.835 2.079 0.241
92 H17 H H17 N N N 0 6.817 2.177 -1.867
93 H18 H H18 N N N 0 7.592 4.436 -2.646
94 H19 H H19 N N N 0 9.065 4.229 -1.669
95 H20 H H20 N N N 0 9.623 2.176 -2.942
96 H21 H H21 N N N 0 8.15 2.382 -3.919
97 H22 H H22 N N N 0 10.775 3.984 -5.917
98 H23 H H23 N N N 0 5.672 4.596 -1.558
99 H24 H H24 N N N 0 4.625 4.573 1.064
100 H25 H H25 N N N 0 5.879 5.832 0.973
101 H26 H H26 N N N 0 4.704 6.862 -0.953
102 H27 H H27 N N N 0 3.45 5.602 -0.861
103 H28 H H28 N N N 0 2.888 6.329 1.442
104 H29 H H29 N N N 0 4.142 7.589 1.35
105 H30 H H30 N N N 0 1.175 8.054 1.716
106 H31 H H31 N N N 0 2.429 9.314 1.624
107 H32 H H32 N N N 0 0.283 10.27 0.938
108 H33 H H33 N N N 0 1.353 10.164 -0.481
109 H34 H H34 N N N 0 -1.672 10.201 -0.532
110 H35 H H35 N N N 0 -0.602 10.095 -1.951
111 H36 H H36 N N N 0 -2.774 9.115 -2.512
112 H37 H H37 N N N 0 -1.553 7.821 -2.438
113 H38 H H38 N N N 0 -4.531 7.484 -2.021
114 H39 H H39 N N N 0 -3.31 6.191 -1.947
115 H40 H H40 N N N 0 -3.887 5.782 0.429
116 H41 H H41 N N N 0 -5.107 7.075 0.356
117 H42 H H42 N N N 0 -6.312 5.837 -1.423
118 H43 H H43 N N N 0 -5.091 4.544 -1.35
119 H44 H H44 N N N 0 -6.133 4.933 1.246
120 H45 H H45 N N N 0 -7.34 2.604 1.862
121 H46 H H46 N N N 0 -8.055 4.964 2.343
122 H47 H H47 N N N 0 -9.535 4.672 1.397
123 H48 H H48 N N N 0 -10.144 2.815 2.923
124 H49 H H49 N N N 0 -8.664 3.106 3.869
125 H50 H H50 N N N 0 -11.243 5.021 5.639
126 H51 H H51 N N N 0 -9.364 2.289 -0.22
127 H52 H H52 N N N 0 -11.363 0.693 0.631
128 H53 H H53 N N N 0 -10.037 -0.312 -0.002
129 H54 H H54 N N N 0 -9.83 -1.428 2.202
130 H55 H H55 N N N 0 -11.156 -0.423 2.835
131 H56 H H56 N N N 0 -13.439 -0.765 2.092
132 H60 H H60 N N N 0 -13.263 -6.073 -1.019
133 H57 H H57 N N N 0 -15.087 -2.358 1.199
134 H58 H H58 N N N 0 -11.892 -4.788 -0.31
135 H59 H H59 N N N 0 -10.26 -3.178 0.583
136 H61 H H61 N N N 0 -17.533 -6.422 -1.13
137 H62 H H62 N N N 0 -13.1 -7.751 -1.99
138 H63 H H63 N N N 0 -12.892 -9.867 -3.228
139 H64 H H64 N N N 0 -14.908 -11.099 -3.914
140 H65 H H65 N N N 0 -17.14 -10.222 -3.367
141 H66 H H66 N N N 0 -17.367 -8.114 -2.119