Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : DN2

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 70


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N N N 0 -0.621 0.1 -2.715
2 C2 C C2 S N N 0 0.164 -1.132 -2.619
3 C1 C C1 N N N 0 0.21 -1.613 -1.192
4 O2 O O2 N N N 0 0.127 -2.798 -0.948
5 C6 C C6 N N N 0 3.713 -2.866 1.339
6 N3 N N3 N N N 0 0.344 -0.726 -0.186
7 C4 C C4 S N N 0 0.261 -1.178 1.204
8 C5 C C5 N N N 0 1.666 -1.487 1.725
9 C7 C C7 N N N 0 1.46 -3.946 1.334
10 C8 C C8 N N N 0 2.241 -2.683 0.964
11 C9 C C9 N N N 0 -0.36 -0.096 2.048
12 O10 O O10 N N N 0 -0.701 0.95 1.537
13 N11 N N11 N N N 0 -0.539 -0.29 3.369
14 C12 C C12 S N N 0 -1.144 0.762 4.189
15 C13 C C13 N N N 0 -2.662 0.577 4.217
16 C14 C C14 N N N 0 -3.213 0.661 2.792
17 F15 F F15 N N N 0 -4.601 0.492 2.818
18 F16 F F16 N N N 0 -2.905 1.912 2.246
19 C17 C C17 R N N 0 -0.593 0.678 5.614
20 C18 C C18 N N N 0 0.901 0.86 5.587
21 O19 O O19 N N N 0 1.431 1.994 5.101
22 O20 O O20 N N N 0 1.624 -0.014 6.002
23 O21 O O21 N N N 0 -0.908 -0.599 6.172
24 C22 C C22 N N N 0 1.581 -0.904 -3.148
25 C23 C C23 N N N 0 -0.576 -2.151 -3.502
26 C24 C C24 N Y N 0 -1.722 -0.096 -3.549
27 C25 C C25 N Y N 0 -1.763 -1.389 -4.046
28 C26 C C26 N Y N 0 -2.726 0.803 -3.917
29 C27 C C27 N Y N 0 -2.781 -1.782 -4.894
30 C28 C C28 N Y N 0 -3.77 -0.886 -5.254
31 C29 C C29 N Y N 0 -3.739 0.406 -4.763
32 C30 C C30 N Y N 0 2.219 0.236 -2.398
33 C31 C C31 N Y N 0 2.985 0.019 -1.28
34 C32 C C32 N Y N 0 3.539 1.081 -0.638
35 S33 S S33 N Y N 0 3.007 2.435 -1.582
36 C34 C C34 N Y N 0 2.064 1.551 -2.811
37 C35 C C35 N N N 0 1.314 2.077 -3.954
38 O36 O O36 N N N 0 1.279 3.405 -4.183
39 O37 O O37 N N N 0 0.724 1.315 -4.696
40 H1 H H1 N N N 0 -0.406 0.932 -2.264
41 H3 H H3 N N N 0 0.496 0.21 -0.383
42 H4 H H4 N N N 0 -0.351 -2.078 1.258
43 H5C1 H 1H5C N N N 0 1.616 -1.722 2.788
44 H5C2 H 2H5C N N N 0 2.308 -0.618 1.576
45 H6C1 H 1H6C N N N 0 4.123 -3.718 0.797
46 H6C2 H 2H6C N N N 0 4.27 -1.966 1.076
47 H6C3 H 3H6C N N N 0 3.796 -3.043 2.412
48 H7C1 H 1H7C N N N 0 1.569 -4.141 2.401
49 H7C2 H 2H7C N N N 0 0.406 -3.803 1.096
50 H7C3 H 3H7C N N N 0 1.849 -4.792 0.768
51 H8 H H8 N N N 0 2.159 -2.505 -0.107
52 H11 H H11 N N N 0 -0.267 -1.126 3.778
53 H12 H H12 N N N 0 -0.904 1.737 3.764
54 H131 H 1H13 N N N 0 -2.902 -0.397 4.642
55 H132 H 2H13 N N N 0 -3.112 1.36 4.827
56 H14 H H14 N N N 0 -2.762 -0.121 2.182
57 H17 H H17 N N N 0 -1.044 1.461 6.224
58 H19 H H19 N N N 0 2.39 2.111 5.083
59 H21 H H21 N N N 0 -0.492 -1.262 5.604
60 H221 H 1H22 N N N 0 2.172 -1.809 -3.005
61 H222 H 2H22 N N N 0 1.538 -0.662 -4.21
62 H231 H 1H23 N N N 0 0.065 -2.487 -4.316
63 H232 H 2H23 N N N 0 -0.91 -2.999 -2.904
64 H26 H H26 N N N 0 -2.708 1.814 -3.537
65 H27 H H27 N N N 0 -2.804 -2.792 -5.277
66 H28 H H28 N N N 0 -4.565 -1.194 -5.916
67 H29 H H29 N N N 0 -4.511 1.107 -5.043
68 H31 H H31 N N N 0 3.144 -0.984 -0.914
69 H32 H H32 N N N 0 4.16 1.082 0.244
70 H36 H H36 N N N 0 0.784 3.753 -4.937