Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : 600

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 100


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 -7.079 -3.379 -1.787
2 C2 C C2 N Y N 0 -6.28 -3.035 -2.861
3 C3 C C3 N Y N 0 -5.007 -2.541 -2.646
4 C4 C C4 N Y N 0 -4.532 -2.391 -1.357
5 C5 C C5 N Y N 0 -5.329 -2.741 -0.282
6 C6 C C6 N Y N 0 -6.603 -3.231 -0.497
7 C10 C C10 N Y N 0 -3.901 1.091 0.305
8 C11 C C11 N Y N 0 -4.182 0.382 -0.848
9 C12 C C12 N Y N 0 -5.465 0.381 -1.363
10 C13 C C13 N Y N 0 -6.469 1.08 -0.719
11 C14 C C14 N Y N 0 -6.188 1.788 0.434
12 C15 C C15 N Y N 0 -4.904 1.794 0.946
13 C20 C C20 N Y N 0 -0.203 -1.116 -2.304
14 C21 C C21 N Y N 0 -0.741 -2.195 -1.628
15 C22 C C22 N Y N 0 -0.001 -2.85 -0.659
16 C23 C C23 N Y N 0 1.279 -2.429 -0.364
17 C24 C C24 N Y N 0 1.827 -1.342 -1.042
18 C25 C C25 N Y N 0 1.075 -0.682 -2.013
19 C30 C C30 R N N 0 -3.144 -1.853 -1.123
20 N31 N N31 N Y N 0 -2.811 -1.964 0.3
21 C32 C C32 N N N 0 -2.139 -2.66 -1.946
22 C35 C C35 N N N 0 -3.089 -0.384 -1.547
23 C40 C C40 N Y N 0 -2.405 -5.021 3.026
24 C41 C C41 N Y N 0 -2.225 -3.705 3.333
25 C42 C C42 N Y N 0 -2.383 -2.727 2.342
26 C43 C C43 N Y N 0 -2.733 -3.12 1.039
27 C44 C C44 N Y N 0 -2.908 -4.468 0.744
28 C45 C C45 N Y N 0 -2.746 -5.409 1.736
29 N46 N N46 N Y N 0 -2.273 -1.383 2.348
30 N47 N N47 N Y N 0 -2.516 -0.91 1.177
31 C52 C C52 N N N 0 -7.282 2.554 1.134
32 F53 F F53 N N N 0 -8.492 1.864 1.001
33 F54 F F54 N N N 0 -6.966 2.683 2.49
34 P55 P P55 N N N 0 -7.44 4.208 0.386
35 O56 O O56 N N N 0 -6.09 5.046 0.647
36 O57 O O57 N N N 0 -7.681 4.06 -1.199
37 O58 O O58 N N N 0 -8.587 4.918 0.995
38 C61 C C61 N Y N 0 4.178 -1.81 -0.408
39 C62 C C62 N Y N 0 7.74 -1.782 0.495
40 C63 C C63 N Y N 0 6.499 -2.28 0.218
41 C64 C C64 N Y N 0 5.476 -1.37 -0.113
42 C65 C C65 N Y N 0 5.773 0.016 -0.145
43 N66 N N66 N Y N 0 7.009 0.437 0.142
44 C67 C C67 N Y N 0 7.964 -0.407 0.445
45 C68 C C68 N Y N 0 3.203 -0.884 -0.728
46 C69 C C69 N Y N 0 3.505 0.486 -0.758
47 C70 C C70 N Y N 0 4.757 0.932 -0.475
48 P79 P P79 N N N 0 5.118 2.709 -0.522
49 O80 O O80 N N N 0 4.852 3.349 0.931
50 O81 O O81 N N N 0 6.659 2.932 -0.933
51 O82 O O82 N N N 0 4.242 3.364 -1.518
52 C76 C C76 N N N 0 10.203 -1.296 2.339
53 O77 O O77 N N N 0 10.24 -0.971 0.948
54 C71 C C71 S N N 0 9.34 0.123 0.755
55 C72 C C72 N N N 0 9.829 0.986 -0.41
56 C73 C C73 N N N 0 11.2 1.573 -0.071
57 C74 C C74 N N N 0 11.762 2.298 -1.295
58 C75 C C75 N N N 0 11.058 2.563 1.088
59 H1 H H1 N N N 0 -8.073 -3.764 -1.955
60 H2 H H2 N N N 0 -6.652 -3.151 -3.869
61 H3 H H3 N N N 0 -4.384 -2.271 -3.486
62 H5 H H5 N N N 0 -4.957 -2.625 0.725
63 H6 H H6 N N N 0 -7.227 -3.5 0.343
64 H10 H H10 N N N 0 -2.898 1.095 0.706
65 H12 H H12 N N N 0 -5.685 -0.172 -2.264
66 H13 H H13 N N N 0 -7.472 1.075 -1.119
67 H15 H H15 N N N 0 -4.685 2.347 1.848
68 H20 H H20 N N N 0 -0.785 -0.608 -3.059
69 H22 H H22 N N N 0 -0.426 -3.693 -0.134
70 H23 H H23 N N N 0 1.856 -2.941 0.392
71 H25 H H25 N N N 0 1.494 0.161 -2.541
72 H321 H 1H32 N N N 0 -2.337 -2.513 -3.008
73 H322 H 2H32 N N N 0 -2.235 -3.718 -1.702
74 H351 H 1H35 N N N 0 -2.12 0.036 -1.275
75 H352 H 2H35 N N N 0 -3.227 -0.312 -2.625
76 H40 H H40 N N N 0 -2.281 -5.771 3.793
77 H41 H H41 N N N 0 -1.959 -3.416 4.34
78 H44 H H44 N N N 0 -3.173 -4.775 -0.257
79 H45 H H45 N N N 0 -2.885 -6.456 1.51
80 H56 H H56 N N N 0 -6.215 5.913 0.236
81 H57 H H57 N N N 0 -6.95 3.529 -1.545
82 H61 H H61 N N N 0 3.943 -2.864 -0.387
83 H62 H H62 N N N 0 8.547 -2.452 0.752
84 H63 H H63 N N N 0 6.307 -3.342 0.251
85 H69 H H69 N N N 0 2.732 1.197 -1.011
86 H80 H H80 N N N 0 5.442 2.895 1.549
87 H81 H H81 N N N 0 6.809 3.887 -0.947
88 H761 H 1H76 N N N 0 10.516 -0.43 2.923
89 H762 H 2H76 N N N 0 9.188 -1.576 2.62
90 H763 H 3H76 N N N 0 10.877 -2.129 2.535
91 H71 H H71 N N N 0 9.302 0.726 1.662
92 H721 H 1H72 N N N 0 9.908 0.372 -1.308
93 H722 H 2H72 N N N 0 9.12 1.795 -0.585
94 H73 H H73 N N N 0 11.878 0.77 0.219
95 H741 H 1H74 N N N 0 11.781 1.615 -2.145
96 H742 H 2H74 N N N 0 11.131 3.154 -1.532
97 H743 H 3H74 N N N 0 12.774 2.64 -1.082
98 H751 H 1H75 N N N 0 10.658 2.046 1.96
99 H752 H 2H75 N N N 0 12.035 2.981 1.33
100 H753 H 3H75 N N N 0 10.381 3.366 0.798