Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : MQ7

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 112


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 1.726 -1.701 -11.173
2 O1 O O1 N N N 0 2.456 -2.661 -11.319
3 C2 C C2 N N N 0 0.353 -1.885 -10.668
4 C2M C C2M N N N 0 -0.137 -3.27 -10.335
5 C3 C C3 N N N 0 -0.465 -0.837 -10.501
6 C4 C C4 N N N 0 -0.018 0.531 -10.823
7 O4 O O4 N N N 0 -0.774 1.47 -10.672
8 C5 C C5 N Y N 0 1.353 0.756 -11.326
9 C6 C C6 N Y N 0 1.8 2.036 -11.632
10 C7 C C7 N Y N 0 3.089 2.22 -12.108
11 C8 C C8 N Y N 0 3.933 1.139 -12.28
12 C9 C C9 N Y N 0 3.502 -0.143 -11.979
13 C10 C C10 N Y N 0 2.212 -0.343 -11.501
14 C11 C C11 N N N 0 -1.862 -1.06 -9.984
15 C12 C C12 N N N 0 -1.859 -0.98 -8.479
16 C13 C C13 N N N 0 -2.67 -0.154 -7.865
17 C14 C C14 N N N 0 -3.681 0.635 -8.656
18 C15 C C15 N N N 0 -2.592 0.005 -6.369
19 C16 C C16 N N N 0 -1.606 1.123 -6.026
20 C17 C C17 N N N 0 -1.528 1.283 -4.53
21 C18 C C18 N N N 0 -0.368 1.222 -3.924
22 C19 C C19 N N N 0 0.899 1.117 -4.732
23 C20 C C20 N N N 0 -0.301 1.256 -2.419
24 C21 C C21 N N N 0 -0.374 -0.17 -1.872
25 C22 C C22 N N N 0 -0.307 -0.135 -0.367
26 C23 C C23 N N N 0 -1.251 -0.701 0.343
27 C24 C C24 N N N 0 -2.465 -1.277 -0.339
28 C25 C C25 N N N 0 -1.123 -0.775 1.842
29 C26 C C26 N N N 0 -1.751 0.47 2.47
30 C27 C C27 N N N 0 -1.623 0.396 3.97
31 C28 C C28 N N N 0 -1.047 1.371 4.627
32 C29 C C29 N N N 0 -0.613 2.617 3.899
33 C30 C C30 N N N 0 -0.817 1.247 6.111
34 C31 C C31 N N N 0 0.55 0.611 6.365
35 C32 C C32 N N N 0 0.779 0.487 7.849
36 C33 C C33 N N N 0 1.076 -0.677 8.371
37 C34 C C34 N N N 0 1.299 -1.869 7.476
38 C35 C C35 N N N 0 1.193 -0.824 9.866
39 C36 C C36 N N N 0 -0.17 -1.196 10.451
40 C37 C C37 N N N 0 -0.053 -1.343 11.946
41 C38 C C38 N N N 0 -0.842 -0.658 12.736
42 C39 C C39 N N N 0 -1.949 0.18 12.151
43 C40 C C40 N N N 0 -0.643 -0.709 14.229
44 C41 C C41 N N N 0 0.321 0.399 14.653
45 C42 C C42 N N N 0 0.52 0.348 16.146
46 C43 C C43 N N N 0 1.729 0.264 16.643
47 C44 C C44 N N N 0 1.923 0.087 18.127
48 C45 C C45 N N N 0 2.926 0.344 15.731
49 H2M1 H 1H2M N N N 0 0.655 -3.993 -10.53
50 H2M2 H 2H2M N N N 0 -0.416 -3.313 -9.282
51 H2M3 H 3H2M N N N 0 -1.004 -3.507 -10.951
52 H6 H H6 N N N 0 1.145 2.884 -11.499
53 H7 H H7 N N N 0 3.436 3.214 -12.345
54 H112 H 2H11 N N N 0 -2.526 -0.295 -10.387
55 H8 H H8 N N N 0 4.935 1.295 -12.651
56 H9 H H9 N N N 0 4.166 -0.983 -12.115
57 H111 H 1H11 N N N 0 -2.212 -2.045 -10.295
58 H12 H H12 N N N 0 -1.189 -1.604 -7.906
59 H141 H 1H14 N N N 0 -4.321 1.193 -7.973
60 H142 H 2H14 N N N 0 -3.162 1.329 -9.317
61 H143 H 3H14 N N N 0 -4.29 -0.045 -9.25
62 H151 H 1H15 N N N 0 -2.253 -0.928 -5.921
63 H152 H 2H15 N N N 0 -3.578 0.258 -5.979
64 H161 H 1H16 N N N 0 -1.945 2.057 -6.474
65 H192 H 2H19 N N N 0 1.76 1.168 -4.066
66 H162 H 2H16 N N N 0 -0.62 0.87 -6.416
67 H17 H H17 N N N 0 -2.428 1.448 -3.957
68 H191 H 1H19 N N N 0 0.943 1.939 -5.447
69 H193 H 3H19 N N N 0 0.91 0.168 -5.268
70 H201 H 1H20 N N N 0 -1.138 1.837 -2.031
71 H202 H 2H20 N N N 0 0.635 1.718 -2.107
72 H211 H 1H21 N N N 0 0.462 -0.75 -2.26
73 H212 H 2H21 N N N 0 -1.311 -0.631 -2.184
74 H22 H H22 N N N 0 0.518 0.355 0.125
75 H241 H 1H24 N N N 0 -2.165 -2.115 -0.968
76 H242 H 2H24 N N N 0 -3.175 -1.623 0.412
77 H243 H 3H24 N N N 0 -2.934 -0.51 -0.955
78 H251 H 1H25 N N N 0 -0.069 -0.827 2.115
79 H252 H 2H25 N N N 0 -1.638 -1.664 2.207
80 H261 H 1H26 N N N 0 -2.805 0.522 2.197
81 H262 H 2H26 N N N 0 -1.237 1.359 2.105
82 H27 H H27 N N N 0 -2.007 -0.461 4.503
83 H291 H 1H29 N N N 0 -1.489 3.127 3.497
84 H292 H 2H29 N N N 0 -0.093 3.28 4.591
85 H293 H 3H29 N N N 0 0.056 2.347 3.083
86 H301 H 1H30 N N N 0 -1.596 0.622 6.548
87 H302 H 2H30 N N N 0 -0.848 2.237 6.568
88 H311 H 1H31 N N N 0 1.328 1.236 5.928
89 H312 H 2H31 N N N 0 0.58 -0.378 5.908
90 H32 H H32 N N N 0 0.699 1.358 8.482
91 H341 H 1H34 N N N 0 2.171 -1.692 6.847
92 H342 H 2H34 N N N 0 1.466 -2.755 8.088
93 H343 H 3H34 N N N 0 0.422 -2.02 6.848
94 H351 H 1H35 N N N 0 1.529 0.117 10.299
95 H352 H 2H35 N N N 0 1.914 -1.608 10.098
96 H361 H 1H36 N N N 0 -0.506 -2.138 10.018
97 H362 H 2H36 N N N 0 -0.891 -0.412 10.218
98 H37 H H37 N N N 0 0.681 -2.014 12.366
99 H391 H 1H39 N N N 0 -2.578 -0.44 11.514
100 H392 H 2H39 N N N 0 -2.55 0.601 12.957
101 H393 H 3H39 N N N 0 -1.518 0.988 11.56
102 H401 H 1H40 N N N 0 -0.227 -1.678 14.507
103 H402 H 2H40 N N N 0 -1.601 -0.568 14.728
104 H411 H 1H41 N N N 0 -0.094 1.368 14.375
105 H412 H 2H41 N N N 0 1.279 0.258 14.153
106 H42 H H42 N N N 0 -0.333 0.381 16.806
107 H441 H 1H44 N N N 0 2.989 0.038 18.351
108 H442 H 2H44 N N N 0 1.48 0.931 18.654
109 H451 H 1H45 N N N 0 2.874 1.26 15.143
110 H443 H 3H44 N N N 0 1.441 -0.835 18.449
111 H452 H 2H45 N N N 0 3.838 0.346 16.328
112 H453 H 3H45 N N N 0 2.931 -0.516 15.062