Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 7C7

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 81


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C32 C C24 N N N 0 3.807 -0.643 0.34
2 O41 O O5 N N N 0 3.356 -1.07 1.382
3 C33 C C25 N N N 0 4.997 -1.314 -0.297
4 C34 C C26 N N N 0 5.442 -2.494 0.57
5 C35 C C27 N Y N 0 6.631 -3.164 -0.067
6 C36 C C28 N Y N 0 7.911 -2.748 0.249
7 C37 C C29 N Y N 0 9.002 -3.363 -0.336
8 C38 C C30 N Y N 0 8.814 -4.394 -1.237
9 C39 C C31 N Y N 0 7.534 -4.811 -1.553
10 C40 C C32 N Y N 0 6.443 -4.2 -0.964
11 O01 O O2 N N N 0 0.982 -0.745 -0.883
12 C02 C C7 N N N 0 0.825 0.215 -0.158
13 C22 C C17 S N N 0 2.018 1.01 0.307
14 C23 C C18 N N N 0 1.881 2.458 -0.167
15 C24 C C19 N N N 0 3.0 3.285 0.412
16 N25 N N3 N N N 0 3.145 4.574 0.046
17 C26 C C20 N N N 0 4.234 5.377 0.609
18 C27 C C21 N N N 0 5.473 5.251 -0.28
19 C28 C C22 N N N 0 2.216 5.171 -0.916
20 C29 C C23 N N N 0 1.031 5.785 -0.166
21 O30 O O4 N N N 0 3.77 2.79 1.208
22 N31 N N4 N N N 0 3.241 0.428 -0.251
23 O20 O O1 N N N 0 -2.125 -0.936 2.017
24 N03 N N1 N N N 0 -0.415 0.569 0.232
25 C04 C C8 S N N 0 -1.574 -0.204 -0.219
26 C05 C C9 N N N 0 -2.802 0.67 -0.196
27 O18 O O3 N N N 0 -2.717 1.825 0.164
28 C19 C C15 N N N 0 -1.783 -1.401 0.71
29 C21 C C16 N N N 0 -2.342 -1.98 2.968
30 C11 C C1 N Y N 0 -8.588 -1.237 -1.913
31 C10 C C2 N Y N 0 -7.935 -0.375 -2.739
32 C12 C C3 N Y N 0 -8.152 -1.395 -0.586
33 C14 C C4 N Y N 0 -6.595 -0.812 1.196
34 C13 C C5 N Y N 0 -7.032 -0.655 -0.131
35 C15 C C6 N Y N 0 -7.252 -1.67 2.023
36 N06 N N2 N N N 0 -3.994 0.168 -0.573
37 C07 C C10 N N N 0 -5.187 1.018 -0.55
38 C08 C C11 N Y N 0 -6.38 0.222 -1.015
39 C09 C C12 N Y N 0 -6.834 0.352 -2.291
40 C16 C C13 N Y N 0 -8.354 -2.397 1.576
41 C17 C C14 N Y N 0 -8.804 -2.271 0.298
42 H32 H H32 N N N 0 4.723 -1.674 -1.288
43 H33 H H33 N N N 0 5.814 -0.598 -0.384
44 H34 H H34 N N N 0 5.715 -2.133 1.561
45 H35 H H35 N N N 0 4.624 -3.21 0.656
46 H36 H H36 N N N 0 8.058 -1.942 0.953
47 H37 H H37 N N N 0 10.002 -3.038 -0.089
48 H38 H H38 N N N 0 9.666 -4.874 -1.694
49 H39 H H39 N N N 0 7.387 -5.616 -2.257
50 H40 H H40 N N N 0 5.443 -4.525 -1.211
51 H18 H H18 N N N 0 2.068 0.988 1.395
52 H19 H H19 N N N 0 1.931 2.491 -1.256
53 H20 H H20 N N N 0 0.923 2.86 0.164
54 H21 H H21 N N N 0 3.926 6.421 0.658
55 H22 H H22 N N N 0 4.468 5.019 1.612
56 H23 H H23 N N N 0 6.282 5.848 0.139
57 H24 H H24 N N N 0 5.78 4.206 -0.329
58 H25 H H25 N N N 0 5.239 5.608 -1.283
59 H26 H H26 N N N 0 2.728 5.948 -1.483
60 H27 H H27 N N N 0 1.854 4.402 -1.598
61 H28 H H28 N N N 0 0.518 5.008 0.401
62 H29 H H29 N N N 0 1.393 6.554 0.517
63 H30 H H30 N N N 0 0.34 6.23 -0.881
64 H31 H H31 N N N 0 3.643 0.812 -1.045
65 H5 H H5 N N N 0 -0.54 1.336 0.813
66 H6 H H6 N N N 0 -1.401 -0.559 -1.235
67 H13 H H13 N N N 0 -0.864 -1.985 0.762
68 H14 H H14 N N N 0 -2.589 -2.025 0.324
69 H15 H H15 N N N 0 -3.16 -2.616 2.629
70 H16 H H16 N N N 0 -1.435 -2.576 3.067
71 H17 H H17 N N N 0 -2.597 -1.544 3.934
72 H1 H H1 N N N 0 -9.44 -1.794 -2.273
73 H2 H H2 N N N 0 -8.274 -0.253 -3.757
74 H3 H H3 N N N 0 -5.743 -0.255 1.556
75 H4 H H4 N N N 0 -6.915 -1.789 3.042
76 H7 H H7 N N N 0 -4.062 -0.756 -0.86
77 H8 H H8 N N N 0 -5.361 1.372 0.466
78 H9 H H9 N N N 0 -5.039 1.87 -1.212
79 H10 H H10 N N N 0 -6.333 1.029 -2.968
80 H11 H H11 N N N 0 -8.857 -3.071 2.253
81 H12 H H12 N N N 0 -9.659 -2.841 -0.035