Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : UPL

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 104


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 3.076 -4.919 -3.481
2 C2 C C2 N N N 0 1.648 -4.523 -3.137
3 C6 C C6 N N N 0 -2.733 -5.999 -0.94
4 C3 C C3 N N N 0 0.848 -5.64 -2.464
5 C4 C C4 N N N 0 -0.581 -5.278 -2.048
6 C5 C C5 N N N 0 -1.324 -6.426 -1.361
7 C7 C C7 N N N 0 -3.463 -7.135 -0.219
8 C8 C C8 N N N 0 -4.885 -6.765 0.214
9 C9 C C9 N N N 0 -5.623 -7.911 0.912
10 C10 C C10 N N N 0 -7.023 -7.525 1.406
11 C11 C C11 N N N 0 -7.729 -8.653 2.169
12 C12 C C12 S N N 0 -7.961 -9.932 1.328
13 C13 C C13 N N N 0 -8.61 -11.052 2.178
14 C14 C C14 N N N 0 -7.788 -11.431 3.416
15 C15 C C15 N N N 0 -8.422 -12.595 4.182
16 C16 C C16 N N N 0 -7.564 -12.985 5.388
17 C17 C C17 N N N 0 -8.149 -14.136 6.211
18 C18 C C18 N N N 0 -7.373 -14.511 7.478
19 C19 C C19 N N N 0 -7.921 -15.704 8.267
20 C20 C C20 N N N 0 -7.102 -16.122 9.493
21 C21 C C21 N N N 0 -7.741 -17.265 10.284
22 C22 C C22 N N N 0 -6.927 -17.682 11.514
23 C23 C C23 N N N 0 -7.578 -18.812 12.317
24 C24 C C24 N N N 0 -6.73 -19.276 13.504
25 C25 C C25 N N N 0 -7.401 -20.349 14.349
26 C26 C C26 N N N 0 -8.816 -9.609 0.078
27 C27 C C27 N N N 0 -9.087 -10.788 -0.87
28 C28 C C28 N N N 0 -7.841 -11.491 -1.424
29 C29 C C29 N N N 0 -6.951 -10.568 -2.262
30 C30 C C30 N N N 0 -5.748 -11.282 -2.886
31 C31 C C31 N N N 0 -4.813 -10.401 -3.721
32 C32 C C32 N N N 0 -3.573 -11.095 -4.296
33 C33 C C33 N N N 0 -2.702 -10.181 -5.158
34 C34 C C34 N N N 0 -1.483 -10.919 -5.691
35 H11 H 1H1 N N N 0 3.604 -5.291 -2.598
36 H12 H 2H1 N N N 0 3.624 -4.052 -3.863
37 H13 H 3H1 N N N 0 3.102 -5.693 -4.253
38 H21 H 1H2 N N N 0 1.681 -3.664 -2.454
39 H22 H 2H2 N N N 0 1.136 -4.177 -4.041
40 H31 H 1H3 N N N 0 0.802 -6.501 -3.143
41 H32 H 2H3 N N N 0 1.401 -5.978 -1.578
42 H41 H 1H4 N N N 0 -1.131 -4.985 -2.951
43 H42 H 2H4 N N N 0 -0.571 -4.397 -1.395
44 H51 H 1H5 N N N 0 -1.388 -7.282 -2.043
45 H52 H 2H5 N N N 0 -0.77 -6.755 -0.475
46 H61 H 1H6 N N N 0 -3.297 -5.696 -1.829
47 H62 H 2H6 N N N 0 -2.669 -5.126 -0.279
48 H71 H 1H7 N N N 0 -2.895 -7.415 0.677
49 H72 H 2H7 N N N 0 -3.494 -8.023 -0.862
50 H81 H 1H8 N N N 0 -4.822 -5.909 0.898
51 H82 H 2H8 N N N 0 -5.448 -6.429 -0.664
52 H91 H 1H9 N N N 0 -5.704 -8.774 0.241
53 H92 H 2H9 N N N 0 -5.035 -8.237 1.779
54 H112 H 2H11 N N N 0 -8.688 -8.286 2.555
55 H101 H 1H10 N N N 0 -7.638 -7.209 0.555
56 H102 H 2H10 N N N 0 -6.906 -6.653 2.057
57 H111 H 1H11 N N N 0 -7.117 -8.909 3.038
58 H121 H 1H12 N N N 0 -6.983 -10.303 1.003
59 H131 H 1H13 N N N 0 -9.62 -10.753 2.485
60 H132 H 2H13 N N N 0 -8.721 -11.953 1.565
61 H141 H 1H14 N N N 0 -7.702 -10.571 4.089
62 H142 H 2H14 N N N 0 -6.773 -11.712 3.111
63 H151 H 1H15 N N N 0 -8.531 -13.45 3.506
64 H152 H 2H15 N N N 0 -9.427 -12.313 4.518
65 H161 H 1H16 N N N 0 -6.551 -13.239 5.056
66 H162 H 2H16 N N N 0 -7.46 -12.114 6.048
67 H171 H 1H17 N N N 0 -9.18 -13.88 6.482
68 H172 H 2H17 N N N 0 -8.219 -15.027 5.574
69 H181 H 1H18 N N N 0 -7.334 -13.643 8.147
70 H182 H 2H18 N N N 0 -6.331 -14.709 7.198
71 H191 H 1H19 N N N 0 -8.016 -16.569 7.6
72 H192 H 2H19 N N N 0 -8.942 -15.463 8.589
73 H201 H 1H20 N N N 0 -6.11 -16.437 9.146
74 H202 H 2H20 N N N 0 -6.941 -15.254 10.14
75 H211 H 1H21 N N N 0 -7.841 -18.139 9.629
76 H212 H 2H21 N N N 0 -8.753 -16.989 10.601
77 H221 H 1H22 N N N 0 -6.765 -16.812 12.161
78 H222 H 2H22 N N N 0 -5.94 -18.004 11.163
79 H231 H 1H23 N N N 0 -7.786 -19.663 11.658
80 H232 H 2H23 N N N 0 -8.543 -18.473 12.711
81 H241 H 1H24 N N N 0 -6.527 -18.409 14.144
82 H242 H 2H24 N N N 0 -5.76 -19.643 13.15
83 H251 H 1H25 N N N 0 -7.516 -21.284 13.795
84 H252 H 2H25 N N N 0 -8.389 -20.022 14.688
85 H253 H 3H25 N N N 0 -6.793 -20.562 15.235
86 H261 H 1H26 N N N 0 -9.781 -9.197 0.401
87 H262 H 2H26 N N N 0 -8.343 -8.82 -0.514
88 H271 H 1H27 N N N 0 -9.682 -10.415 -1.713
89 H272 H 2H27 N N N 0 -9.718 -11.532 -0.371
90 H281 H 1H28 N N N 0 -7.27 -11.93 -0.6
91 H282 H 2H28 N N N 0 -8.172 -12.33 -2.049
92 H291 H 1H29 N N N 0 -7.551 -10.14 -3.075
93 H292 H 2H29 N N N 0 -6.6 -9.723 -1.661
94 H301 H 1H30 N N N 0 -6.117 -12.107 -3.507
95 H302 H 2H30 N N N 0 -5.159 -11.75 -2.087
96 H311 H 1H31 N N N 0 -4.487 -9.561 -3.096
97 H312 H 2H31 N N N 0 -5.377 -9.956 -4.549
98 H321 H 1H32 N N N 0 -3.912 -11.944 -4.902
99 H322 H 2H32 N N N 0 -2.972 -11.52 -3.485
100 H331 H 1H33 N N N 0 -2.362 -9.319 -4.576
101 H332 H 2H33 N N N 0 -3.287 -9.796 -6.002
102 H341 H 1H34 N N N 0 -1.779 -11.758 -6.328
103 H342 H 2H34 N N N 0 -0.871 -11.309 -4.872
104 H343 H 3H34 N N N 0 -0.861 -10.243 -6.288