Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 1N1

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 59


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 -2.123 1.249 0.411
2 C2 C C2 N Y N 0 -3.003 0.262 0.064
3 C3 C C3 N N N 0 -4.458 0.316 0.203
4 N6 N N6 N N N 0 8.103 -0.744 -0.209
5 C7 C C7 N Y N 0 -9.317 -0.721 0.526
6 C8 C C8 N Y N 0 -8.55 -1.797 0.932
7 C9 C C9 N Y N 0 -7.188 -1.804 0.699
8 C10 C C10 N N N 0 -6.353 -2.978 1.143
9 C11 C C11 N Y N 0 1.763 0.048 -0.287
10 C12 C C12 N Y N 0 3.032 -0.363 -0.683
11 C13 C C13 N Y N 0 4.124 0.415 -0.31
12 C14 C C14 N Y N 0 2.699 1.874 0.762
13 C15 C C15 N N N 0 2.512 3.13 1.574
14 C16 C C16 N N N 0 6.397 1.012 -0.178
15 C19 C C19 N N N 0 5.721 -1.312 -0.216
16 C20 C C20 N N N 0 9.464 -1.133 -0.601
17 C21 C C21 N N N 0 10.476 -0.432 0.308
18 N N N N N N 0 0.642 -0.694 -0.634
19 C C C N Y N 0 -0.619 -0.22 -0.332
20 N1 N N1 N Y N 0 -0.869 0.949 0.183
21 S S S N Y N 0 -2.071 -1.087 -0.583
22 N2 N N2 N N N 0 -5.211 -0.734 -0.182
23 C4 C C4 N Y N 0 -6.59 -0.729 0.056
24 C5 C C5 N Y N 0 -7.364 0.351 -0.351
25 C6 C C6 N Y N 0 -8.725 0.352 -0.115
26 CL CL CL N N N 0 -6.621 1.698 -1.156
27 O O O N N N 0 -4.988 1.309 0.665
28 N3 N N3 N Y N 0 3.917 1.518 0.407
29 N4 N N4 N Y N 0 1.641 1.161 0.433
30 N5 N N5 N N N 0 5.409 0.047 -0.68
31 C17 C C17 N N N 0 7.79 0.615 -0.673
32 C18 C C18 N N N 0 7.114 -1.709 -0.711
33 O1 O O1 N N N 0 10.31 -0.893 1.651
34 H1 H H1 N N N 0 -2.434 2.193 0.832
35 H7 H H7 N N N 0 -10.382 -0.721 0.705
36 H8 H H8 N N N 0 -9.016 -2.633 1.433
37 H101 H H101 N N N 0 -6.309 -3.716 0.342
38 H102 H H102 N N N 0 -5.345 -2.638 1.379
39 H103 H H103 N N N 0 -6.801 -3.429 2.028
40 H12 H H12 N N N 0 3.166 -1.264 -1.264
41 H151 H H151 N N N 0 2.374 3.978 0.903
42 H152 H H152 N N N 0 1.634 3.023 2.211
43 H153 H H153 N N N 0 3.392 3.296 2.194
44 H161 H H161 N N N 0 6.151 2.009 -0.546
45 H162 H H162 N N N 0 6.385 1.013 0.911
46 H191 H H191 N N N 0 5.701 -1.338 0.874
47 H192 H H192 N N N 0 4.983 -2.01 -0.61
48 H201 H H201 N N N 0 9.575 -2.213 -0.503
49 H202 H H202 N N N 0 9.642 -0.842 -1.636
50 H211 H H211 N N N 0 11.487 -0.659 -0.031
51 H212 H H212 N N N 0 10.313 0.645 0.271
52 HN H HN N N N 0 0.745 -1.545 -1.088
53 HN2 H HN2 N N N 0 -4.797 -1.492 -0.623
54 H6 H H6 N N N 0 -9.327 1.19 -0.432
55 H182 H H182 N N N 0 7.36 -2.705 -0.343
56 H171 H H171 N N N 0 8.528 1.313 -0.279
57 H172 H H172 N N N 0 7.81 0.641 -1.763
58 H181 H H181 N N N 0 7.127 -1.709 -1.8
59 HO1 H HO1 N N N 0 10.92 -0.489 2.283