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PDBeChem : Atoms of Molecule
Molecule : JUB
Atoms of a chemical element, that composes a molecule
Total Number of Atoms: 90
Record |
Atom Name |
Symbol |
PDB Name |
Stereochemistry |
Is Aromatic |
Is Leaving Atom |
Charge |
X-Coordinate |
Y-Coordinate |
Z-Coordinate |
1 |
C32 |
C |
C1 |
N |
Y |
N |
0 |
-4.404 |
-7.27 |
1.435 |
2 |
C33 |
C |
C2 |
N |
Y |
N |
0 |
-3.171 |
-7.091 |
0.836 |
3 |
C38 |
C |
C3 |
N |
Y |
N |
0 |
-3.668 |
3.031 |
-0.093 |
4 |
C37 |
C |
C4 |
N |
N |
N |
0 |
-3.661 |
-0.125 |
-0.067 |
5 |
C35 |
C |
C5 |
N |
N |
N |
0 |
-4.498 |
-2.468 |
0.14 |
6 |
C39 |
C |
C6 |
N |
Y |
N |
0 |
-3.239 |
3.383 |
1.185 |
7 |
C34 |
C |
C7 |
N |
Y |
N |
0 |
-2.995 |
-6.084 |
-0.095 |
8 |
C24 |
C |
C8 |
N |
N |
N |
0 |
-2.283 |
0.436 |
-2.075 |
9 |
C10 |
C |
C9 |
N |
Y |
N |
0 |
5.82 |
0.325 |
-0.077 |
10 |
C30 |
C |
C10 |
N |
Y |
N |
0 |
-5.284 |
-5.436 |
0.172 |
11 |
C29 |
C |
C11 |
N |
Y |
N |
0 |
-4.051 |
-5.256 |
-0.427 |
12 |
C31 |
C |
C12 |
N |
Y |
N |
0 |
-5.462 |
-6.446 |
1.099 |
13 |
C26 |
C |
C13 |
N |
N |
N |
0 |
-3.122 |
-1.894 |
-1.744 |
14 |
C04 |
C |
C14 |
N |
N |
N |
0 |
-0.426 |
1.501 |
-0.713 |
15 |
C05 |
C |
C15 |
N |
N |
N |
0 |
0.712 |
1.704 |
-1.716 |
16 |
C07 |
C |
C16 |
N |
N |
N |
0 |
2.171 |
0.231 |
-0.511 |
17 |
C08 |
C |
C17 |
N |
N |
N |
0 |
3.506 |
0.124 |
0.229 |
18 |
C22 |
C |
C18 |
N |
N |
N |
0 |
4.432 |
1.818 |
-1.23 |
19 |
C23 |
C |
C19 |
N |
N |
N |
0 |
3.089 |
1.91 |
-1.958 |
20 |
C25 |
C |
C20 |
S |
N |
N |
0 |
-2.596 |
-0.643 |
-1.037 |
21 |
C28 |
C |
C21 |
N |
N |
N |
0 |
-3.857 |
-4.155 |
-1.437 |
22 |
C36 |
C |
C22 |
N |
N |
N |
0 |
-4.024 |
-1.239 |
0.919 |
23 |
C40 |
C |
C23 |
N |
Y |
N |
0 |
-4.1 |
3.383 |
2.239 |
24 |
C41 |
C |
C24 |
N |
Y |
N |
0 |
-5.443 |
3.022 |
2.04 |
25 |
C42 |
C |
C25 |
N |
Y |
N |
0 |
-6.361 |
3.01 |
3.103 |
26 |
C43 |
C |
C26 |
N |
Y |
N |
0 |
-7.655 |
2.655 |
2.872 |
27 |
C44 |
C |
C27 |
N |
Y |
N |
0 |
-8.085 |
2.302 |
1.594 |
28 |
C45 |
C |
C28 |
N |
Y |
N |
0 |
-7.224 |
2.302 |
0.54 |
29 |
C46 |
C |
C29 |
N |
Y |
N |
0 |
-5.88 |
2.663 |
0.74 |
30 |
C47 |
C |
C30 |
N |
Y |
N |
0 |
-4.962 |
2.676 |
-0.324 |
31 |
N03 |
N |
N1 |
N |
N |
N |
0 |
-1.712 |
1.608 |
-1.405 |
32 |
N06 |
N |
N2 |
N |
N |
N |
1 |
2.002 |
1.598 |
-1.021 |
33 |
N09 |
N |
N3 |
N |
N |
N |
0 |
4.602 |
0.461 |
-0.692 |
34 |
N27 |
N |
N4 |
N |
N |
N |
1 |
-3.426 |
-2.93 |
-0.75 |
35 |
O01 |
O |
O1 |
N |
N |
N |
0 |
-3.296 |
3.057 |
-2.622 |
36 |
O48 |
O |
O2 |
N |
N |
N |
0 |
-1.564 |
4.055 |
-1.122 |
37 |
S02 |
S |
S1 |
N |
N |
N |
0 |
-2.522 |
3.052 |
-1.431 |
38 |
H1 |
H |
H1 |
N |
N |
N |
0 |
-4.542 |
-8.056 |
2.162 |
39 |
H2 |
H |
H2 |
N |
N |
N |
0 |
-2.346 |
-7.737 |
1.095 |
40 |
H3 |
H |
H3 |
N |
N |
N |
0 |
-3.27 |
0.733 |
0.48 |
41 |
H4 |
H |
H4 |
N |
N |
N |
0 |
-4.55 |
0.172 |
-0.624 |
42 |
H5 |
H |
H5 |
N |
N |
N |
0 |
-4.757 |
-3.263 |
0.84 |
43 |
H6 |
H |
H6 |
N |
N |
N |
0 |
-2.207 |
3.661 |
1.341 |
44 |
H7 |
H |
H7 |
N |
N |
N |
0 |
-2.031 |
-5.944 |
-0.563 |
45 |
H8 |
H |
H8 |
N |
N |
N |
0 |
-1.566 |
0.047 |
-2.799 |
46 |
H9 |
H |
H9 |
N |
N |
N |
0 |
-3.2 |
0.723 |
-2.59 |
47 |
H13 |
H |
H13 |
N |
N |
N |
0 |
-6.11 |
-4.792 |
-0.091 |
48 |
H14 |
H |
H14 |
N |
N |
N |
0 |
-6.425 |
-6.586 |
1.566 |
49 |
H15 |
H |
H15 |
N |
N |
N |
0 |
-4.028 |
-1.645 |
-2.296 |
50 |
H16 |
H |
H16 |
N |
N |
N |
0 |
-2.366 |
-2.265 |
-2.435 |
51 |
H17 |
H |
H17 |
N |
N |
N |
0 |
-0.338 |
0.514 |
-0.259 |
52 |
H18 |
H |
H18 |
N |
N |
N |
0 |
-0.366 |
2.265 |
0.063 |
53 |
H19 |
H |
H19 |
N |
N |
N |
0 |
0.652 |
0.941 |
-2.491 |
54 |
H20 |
H |
H20 |
N |
N |
N |
0 |
0.624 |
2.691 |
-2.17 |
55 |
H21 |
H |
H21 |
N |
N |
N |
0 |
2.16 |
-0.472 |
-1.343 |
56 |
H22 |
H |
H22 |
N |
N |
N |
0 |
1.357 |
-0.005 |
0.174 |
57 |
H23 |
H |
H23 |
N |
N |
N |
0 |
3.513 |
0.817 |
1.07 |
58 |
H24 |
H |
H24 |
N |
N |
N |
0 |
3.639 |
-0.894 |
0.596 |
59 |
H25 |
H |
H25 |
N |
N |
N |
0 |
5.24 |
2.035 |
-1.929 |
60 |
H26 |
H |
H26 |
N |
N |
N |
0 |
4.454 |
2.539 |
-0.413 |
61 |
H27 |
H |
H27 |
N |
N |
N |
0 |
2.955 |
2.92 |
-2.346 |
62 |
H28 |
H |
H28 |
N |
N |
N |
0 |
3.073 |
1.199 |
-2.783 |
63 |
H29 |
H |
H29 |
N |
N |
N |
0 |
-1.69 |
-0.89 |
-0.484 |
64 |
H30 |
H |
H30 |
N |
N |
N |
0 |
-3.096 |
-4.453 |
-2.158 |
65 |
H31 |
H |
H31 |
N |
N |
N |
0 |
-4.797 |
-3.969 |
-1.957 |
66 |
H32 |
H |
H32 |
N |
N |
N |
0 |
-3.148 |
-1.5 |
1.513 |
67 |
H33 |
H |
H33 |
N |
N |
N |
0 |
-3.752 |
3.658 |
3.224 |
68 |
H34 |
H |
H34 |
N |
N |
N |
0 |
-6.043 |
3.28 |
4.099 |
69 |
H35 |
H |
H35 |
N |
N |
N |
0 |
-8.359 |
2.647 |
3.691 |
70 |
H36 |
H |
H36 |
N |
N |
N |
0 |
-9.116 |
2.024 |
1.438 |
71 |
H37 |
H |
H37 |
N |
N |
N |
0 |
-7.571 |
2.026 |
-0.444 |
72 |
H38 |
H |
H38 |
N |
N |
N |
0 |
-5.281 |
2.405 |
-1.319 |
73 |
C1 |
C |
C31 |
N |
Y |
N |
0 |
6.151 |
1.131 |
1.005 |
74 |
C2 |
C |
C32 |
N |
Y |
N |
0 |
7.358 |
1.036 |
1.657 |
75 |
C3 |
C |
C33 |
N |
Y |
N |
0 |
8.346 |
0.112 |
1.272 |
76 |
C4 |
C |
C34 |
N |
Y |
N |
0 |
8.084 |
-0.783 |
0.139 |
77 |
C5 |
C |
C35 |
N |
Y |
N |
0 |
6.776 |
-0.674 |
-0.552 |
78 |
N2 |
N |
N5 |
N |
Y |
N |
0 |
6.864 |
-1.583 |
-1.483 |
79 |
O1 |
O |
O3 |
N |
Y |
N |
0 |
7.948 |
-2.128 |
-1.404 |
80 |
N1 |
N |
N6 |
N |
Y |
N |
0 |
8.682 |
-1.735 |
-0.518 |
81 |
N3 |
N |
N7 |
N |
N |
N |
1 |
9.5 |
0.049 |
1.925 |
82 |
O2 |
O |
O4 |
N |
N |
N |
0 |
9.744 |
0.918 |
3.017 |
83 |
O3 |
O |
O5 |
N |
N |
N |
0 |
10.35 |
-0.754 |
1.586 |
84 |
H10 |
H |
H10 |
N |
N |
N |
0 |
5.433 |
1.862 |
1.347 |
85 |
H11 |
H |
H11 |
N |
N |
N |
0 |
7.555 |
1.694 |
2.491 |
86 |
H12 |
H |
H12 |
N |
N |
N |
0 |
10.611 |
0.798 |
3.429 |
87 |
H39 |
H |
H39 |
N |
N |
N |
0 |
2.024 |
2.249 |
-0.251 |
88 |
H40 |
H |
H40 |
N |
N |
N |
0 |
-5.374 |
-2.206 |
-0.453 |
89 |
H41 |
H |
H41 |
N |
N |
N |
0 |
-4.822 |
-0.896 |
1.578 |
90 |
H42 |
H |
H42 |
N |
N |
N |
0 |
-2.599 |
-3.125 |
-0.205 |
|