Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : XAT

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 N N 0 -12.124 -1.287 0.306
2 C2 C C2 N N N 0 -13.571 -1.285 -0.189
3 C3 C C3 S N N 0 -14.322 -0.141 0.501
4 C4 C C4 N N N 0 -13.878 1.182 -0.123
5 C5 C C5 R N N 0 -12.365 1.324 -0.052
6 C6 C C6 S N N 0 -11.493 0.087 0.093
7 C7 C C7 N N N 0 -10.162 0.087 -0.613
8 C8 C C8 N N N 0 -9.029 0.087 0.096
9 C9 C C9 N N N 0 -7.776 0.087 -0.568
10 C10 C C10 N N N 0 -6.625 0.086 0.153
11 C11 C C11 N N N 0 -5.383 0.087 -0.506
12 C12 C C12 N N N 0 -4.226 0.086 0.218
13 C13 C C13 N N N 0 -2.987 0.087 -0.439
14 C14 C C14 N N N 0 -1.821 0.086 0.291
15 C15 C C15 N N N 0 -0.584 0.087 -0.365
16 C16 C C16 N N N 0 -11.325 -2.338 -0.467
17 C17 C C17 N N N 0 -12.1 -1.631 1.797
18 C18 C C18 N N N 0 -11.786 2.467 -0.888
19 C19 C C19 N N N 0 -7.722 0.089 -2.075
20 C20 C C20 N N N 0 -2.933 0.089 -1.945
21 O3 O O3 N N N 0 -15.729 -0.31 0.315
22 O4 O O4 N N N 0 -11.678 1.033 1.158
23 C21 C C21 N N N 0 12.124 -1.287 -0.309
24 C22 C C22 N N N 0 13.571 -1.286 0.186
25 C23 C C23 S N N 0 14.322 -0.14 -0.501
26 C24 C C24 N N N 0 13.878 1.181 0.126
27 C25 C C25 R N N 0 12.365 1.323 0.055
28 C26 C C26 S N N 0 11.493 0.086 -0.093
29 C27 C C27 N N N 0 10.162 0.085 0.613
30 C28 C C28 N N N 0 9.029 0.086 -0.096
31 C29 C C29 N N N 0 7.776 0.086 0.569
32 C30 C C30 N N N 0 6.625 0.086 -0.153
33 C31 C C31 N N N 0 5.383 0.086 0.507
34 C32 C C32 N N N 0 4.226 0.087 -0.218
35 C33 C C33 N N N 0 2.987 0.086 0.439
36 C34 C C34 N N N 0 1.821 0.087 -0.291
37 C35 C C35 N N N 0 0.584 0.086 0.366
38 C36 C C36 N N N 0 11.325 -2.34 0.461
39 C37 C C37 N N N 0 12.1 -1.627 -1.801
40 C38 C C38 N N N 0 11.786 2.464 0.894
41 C39 C C39 N N N 0 7.722 0.084 2.075
42 C40 C C40 N N N 0 2.933 0.084 1.945
43 O23 O O23 N N N 0 15.729 -0.31 -0.316
44 O24 O O24 N N N 0 11.678 1.035 -1.155
45 H21 H 1H2 N N N 0 -13.587 -1.135 -1.269
46 H22 H 2H2 N N N 0 -14.044 -2.235 0.058
47 H3 H H3 N N N 0 -14.089 -0.139 1.565
48 H41 H 1H4 N N N 0 -14.193 1.211 -1.167
49 H42 H 2H4 N N N 0 -14.342 2.008 0.415
50 H7 H H7 N N N 0 -10.123 0.089 -1.693
51 H8 H H8 N N N 0 -9.068 0.085 1.175
52 H10 H H10 N N N 0 -6.663 0.085 1.232
53 H11 H H11 N N N 0 -5.344 0.089 -1.586
54 H12 H H12 N N N 0 -4.265 0.085 1.297
55 H14 H H14 N N N 0 -1.86 0.085 1.37
56 H15 H H15 N N N 0 -0.545 0.088 -1.445
57 H161 H 1H16 N N N 0 -11.345 -2.1 -1.53
58 H162 H 2H16 N N N 0 -10.294 -2.342 -0.115
59 H163 H 3H16 N N N 0 -11.767 -3.322 -0.306
60 H171 H 1H17 N N N 0 -12.539 -2.617 1.95
61 H172 H 2H17 N N N 0 -11.069 -1.633 2.152
62 H173 H 3H17 N N N 0 -12.673 -0.888 2.351
63 H181 H 1H18 N N N 0 -12.484 3.304 -0.892
64 H182 H 2H18 N N N 0 -10.837 2.787 -0.458
65 H183 H 3H18 N N N 0 -11.624 2.124 -1.91
66 H191 H 1H19 N N N 0 -7.709 1.117 -2.436
67 H192 H 2H19 N N N 0 -6.82 -0.424 -2.406
68 H193 H 3H19 N N N 0 -8.599 -0.424 -2.47
69 H201 H 1H20 N N N 0 -2.92 1.117 -2.307
70 H202 H 2H20 N N N 0 -2.031 -0.425 -2.277
71 H203 H 3H20 N N N 0 -3.81 -0.424 -2.341
72 HO3 H HO3 N N N 0 -16.266 0.381 0.727
73 H221 H 1H22 N N N 0 13.587 -1.138 1.266
74 H222 H 2H22 N N N 0 14.044 -2.236 -0.063
75 H23 H H23 N N N 0 14.089 -0.136 -1.566
76 H241 H 1H24 N N N 0 14.193 1.208 1.169
77 H242 H 2H24 N N N 0 14.342 2.008 -0.41
78 H27 H H27 N N N 0 10.123 0.084 1.693
79 H28 H H28 N N N 0 9.068 0.088 -1.175
80 H30 H H30 N N N 0 6.663 0.088 -1.232
81 H31 H H31 N N N 0 5.344 0.084 1.586
82 H32 H H32 N N N 0 4.265 0.088 -1.297
83 H34 H H34 N N N 0 1.86 0.088 -1.37
84 H35 H H35 N N N 0 0.545 0.085 1.445
85 H361 H 1H36 N N N 0 11.345 -2.105 1.525
86 H372 H 2H37 N N N 0 11.069 -1.629 -2.156
87 H362 H 2H36 N N N 0 10.293 -2.343 0.109
88 H363 H 3H36 N N N 0 11.767 -3.323 0.298
89 H371 H 1H37 N N N 0 12.539 -2.613 -1.956
90 H373 H 3H37 N N N 0 12.673 -0.883 -2.353
91 H381 H 1H38 N N N 0 12.484 3.301 0.9
92 H382 H 2H38 N N N 0 10.837 2.786 0.464
93 H383 H 3H38 N N N 0 11.624 2.118 1.915
94 H391 H 1H39 N N N 0 7.709 1.111 2.439
95 H392 H 2H39 N N N 0 6.82 -0.43 2.405
96 H393 H 3H39 N N N 0 8.599 -0.431 2.469
97 H401 H 1H40 N N N 0 2.921 1.111 2.31
98 H1 H H1 N N N 0 16.266 0.382 -0.726
99 H402 H 2H40 N N N 0 2.031 -0.43 2.276
100 H403 H 3H40 N N N 0 3.81 -0.43 2.34