Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : C4M

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 55


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 4.326 4.011 -0.745
2 O2 O O2 N N N 0 4.743 3.123 0.295
3 C3 C C3 N Y N 0 4.099 1.944 0.086
4 C4 C C4 N Y N 0 3.232 1.807 -0.989
5 C5 C C5 N Y N 0 2.579 0.608 -1.2
6 C6 C C6 N N N 0 1.638 0.458 -2.367
7 C7 C C7 N Y N 0 2.789 -0.455 -0.34
8 C8 C C8 N Y N 0 3.651 -0.32 0.732
9 C9 C C9 N N N 0 3.877 -1.48 1.667
10 C10 C C10 N Y N 0 4.312 0.875 0.943
11 C11 C C11 N N N 0 5.252 1.021 2.112
12 S12 S S12 N N N 0 1.955 -1.983 -0.611
13 O13 O O13 N N N 0 2.76 -2.977 0.007
14 O14 O O14 N N N 0 1.565 -1.973 -1.978
15 N15 N N15 N N N 0 0.546 -1.939 0.259
16 C16 C C16 N N N 0 -0.498 -0.971 -0.085
17 C17 C C17 R N N 0 -1.808 -1.371 0.595
18 O18 O O18 N N N 0 -1.658 -1.276 2.013
19 C19 C C19 S N N 0 -2.927 -0.433 0.137
20 N20 N N20 N N N 0 -3.082 -0.53 -1.32
21 C21 C C21 N N N 0 -4.238 -0.833 0.817
22 C22 C C22 N Y N 0 -5.312 0.164 0.463
23 C23 C C23 N Y N 0 -5.513 1.275 1.26
24 C24 C C24 N Y N 0 -6.495 2.192 0.933
25 C25 C C25 N Y N 0 -7.282 1.991 -0.186
26 C26 C C26 N Y N 0 -7.085 0.877 -0.979
27 C27 C C27 N Y N 0 -6.1 -0.037 -0.655
28 H1C1 H 1H1C N N N 0 4.596 3.589 -1.713
29 H1C2 H 2H1C N N N 0 3.246 4.146 -0.696
30 H1C3 H 3H1C N N N 0 4.819 4.975 -0.618
31 H4 H H4 N N N 0 3.069 2.637 -1.661
32 H6C1 H 1H6C N N N 0 2.162 -0.014 -3.198
33 H6C2 H 2H6C N N N 0 0.791 -0.161 -2.073
34 H6C3 H 3H6C N N N 0 1.281 1.441 -2.674
35 H9C1 H 1H9C N N N 0 4.635 -2.142 1.248
36 H9C2 H 2H9C N N N 0 4.215 -1.107 2.634
37 H9C3 H 3H9C N N N 0 2.945 -2.03 1.795
38 H111 H 1H11 N N N 0 6.257 0.73 1.808
39 H112 H 2H11 N N N 0 5.259 2.059 2.445
40 H113 H 3H11 N N N 0 4.919 0.38 2.928
41 H15 H H15 N N N 0 0.413 -2.555 0.996
42 H161 H 1H16 N N N 0 -0.2 0.021 0.255
43 H162 H 2H16 N N N 0 -0.638 -0.957 -1.166
44 H17 H H17 N N N 0 -2.06 -2.396 0.324
45 H18 H H18 N N N 0 -1.436 -0.356 2.209
46 H19 H H19 N N N 0 -2.675 0.593 0.408
47 H201 H 1H20 N N N 0 -3.314 -1.491 -1.524
48 H202 H 2H20 N N N 0 -3.892 0.021 -1.563
49 H211 H 1H21 N N N 0 -4.536 -1.824 0.477
50 H212 H 2H21 N N N 0 -4.097 -0.846 1.898
51 H23 H H23 N N N 0 -4.898 1.432 2.134
52 H24 H H24 N N N 0 -6.649 3.063 1.552
53 H27 H H27 N N N 0 -5.945 -0.908 -1.275
54 H25 H H25 N N N 0 -8.052 2.705 -0.44
55 H26 H H26 N N N 0 -7.7 0.72 -1.853