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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 |
|