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PDBeChem : Atoms of Molecule
Molecule : GKG
Atoms of a chemical element, that composes a molecule
Total Number of Atoms: 103
Record |
Atom Name |
Symbol |
PDB Name |
Stereochemistry |
Is Aromatic |
Is Leaving Atom |
Charge |
X-Coordinate |
Y-Coordinate |
Z-Coordinate |
1 |
C10 |
C |
C1 |
N |
N |
N |
0 |
-1.689 |
-3.767 |
-1.288 |
2 |
C13 |
C |
C2 |
S |
N |
N |
0 |
-5.641 |
-1.777 |
1.62 |
3 |
C15 |
C |
C3 |
N |
N |
N |
0 |
3.607 |
2.929 |
4.17 |
4 |
C17 |
C |
C4 |
R |
N |
N |
0 |
0.668 |
1.54 |
1.43 |
5 |
C20 |
C |
C5 |
N |
N |
N |
0 |
-0.268 |
-3.863 |
-0.73 |
6 |
C21 |
C |
C6 |
N |
N |
N |
0 |
-2.499 |
-4.983 |
-0.835 |
7 |
C22 |
C |
C7 |
N |
N |
N |
0 |
-7.064 |
2.389 |
-1.393 |
8 |
C24 |
C |
C8 |
N |
N |
N |
0 |
-7.649 |
3.09 |
-2.621 |
9 |
C26 |
C |
C9 |
N |
N |
N |
0 |
5.042 |
-2.777 |
-0.78 |
10 |
C28 |
C |
C10 |
N |
N |
N |
0 |
6.303 |
-2.977 |
0.063 |
11 |
C01 |
C |
C11 |
N |
Y |
N |
0 |
2.835 |
2.425 |
1.827 |
12 |
C02 |
C |
C12 |
N |
N |
N |
0 |
-0.709 |
1.573 |
2.112 |
13 |
C03 |
C |
C13 |
N |
N |
N |
0 |
-4.501 |
-3.787 |
0.056 |
14 |
C04 |
C |
C14 |
N |
N |
N |
0 |
-5.827 |
-3.195 |
-0.349 |
15 |
C05 |
C |
C15 |
R |
N |
N |
0 |
-4.997 |
-0.39 |
1.564 |
16 |
C06 |
C |
C16 |
N |
N |
N |
0 |
-2.656 |
0.156 |
1.471 |
17 |
C07 |
C |
C17 |
N |
N |
N |
0 |
-5.149 |
0.403 |
0.295 |
18 |
C08 |
C |
C18 |
N |
N |
N |
0 |
0.888 |
0.085 |
0.994 |
19 |
C09 |
C |
C19 |
S |
N |
N |
0 |
0.248 |
-2.461 |
-0.397 |
20 |
C11 |
C |
C20 |
N |
N |
N |
0 |
-3.99 |
-4.713 |
-1.049 |
21 |
C12 |
C |
C21 |
N |
N |
N |
0 |
-6.365 |
-2.251 |
0.387 |
22 |
C14 |
C |
C22 |
N |
N |
N |
0 |
-6.241 |
-0.62 |
2.42 |
23 |
C16 |
C |
C23 |
N |
Y |
N |
0 |
3.829 |
2.932 |
2.679 |
24 |
C18 |
C |
C24 |
S |
N |
N |
0 |
-1.258 |
0.144 |
2.033 |
25 |
C19 |
C |
C25 |
N |
N |
N |
0 |
-0.72 |
-1.781 |
0.537 |
26 |
C23 |
C |
C26 |
N |
N |
N |
0 |
-7.441 |
1.574 |
-2.632 |
27 |
C25 |
C |
C27 |
N |
N |
N |
0 |
2.677 |
-2.618 |
-0.504 |
28 |
C27 |
C |
C28 |
N |
N |
N |
0 |
5.116 |
-1.427 |
-1.497 |
29 |
C29 |
C |
C29 |
N |
N |
N |
0 |
4.938 |
-3.899 |
-1.815 |
30 |
C30 |
C |
C30 |
N |
Y |
N |
0 |
4.152 |
2.897 |
0.004 |
31 |
C31 |
C |
C31 |
N |
Y |
N |
0 |
4.37 |
2.898 |
-1.382 |
32 |
C32 |
C |
C32 |
N |
Y |
N |
0 |
5.549 |
3.4 |
-1.883 |
33 |
C33 |
C |
C33 |
N |
N |
N |
0 |
7.006 |
3.937 |
-3.683 |
34 |
C34 |
C |
C34 |
N |
Y |
N |
0 |
6.531 |
3.908 |
-1.026 |
35 |
C35 |
C |
C35 |
N |
Y |
N |
0 |
6.344 |
3.917 |
0.321 |
36 |
C36 |
C |
C36 |
N |
Y |
N |
0 |
5.151 |
3.412 |
0.868 |
37 |
C37 |
C |
C37 |
N |
N |
N |
0 |
-7.961 |
2.257 |
-0.161 |
38 |
F53 |
F |
F1 |
N |
N |
N |
0 |
7.429 |
-2.951 |
-0.768 |
39 |
F54 |
F |
F2 |
N |
N |
N |
0 |
6.399 |
-1.951 |
1.009 |
40 |
F55 |
F |
F3 |
N |
N |
N |
0 |
6.236 |
-4.211 |
0.718 |
41 |
N38 |
N |
N1 |
N |
N |
N |
0 |
-0.387 |
-0.621 |
1.135 |
42 |
N39 |
N |
N2 |
N |
N |
N |
0 |
-3.699 |
-0.245 |
2.249 |
43 |
N40 |
N |
N3 |
N |
N |
N |
0 |
-5.018 |
1.745 |
0.319 |
44 |
N41 |
N |
N4 |
N |
N |
N |
0 |
1.559 |
-2.563 |
0.247 |
45 |
N42 |
N |
N5 |
N |
Y |
N |
0 |
3.014 |
2.415 |
0.522 |
46 |
N43 |
N |
N6 |
N |
Y |
N |
0 |
4.95 |
3.408 |
2.191 |
47 |
O44 |
O |
O1 |
N |
N |
N |
0 |
1.684 |
1.937 |
2.352 |
48 |
O45 |
O |
O2 |
N |
N |
N |
0 |
-1.804 |
-2.281 |
0.751 |
49 |
O46 |
O |
O3 |
N |
N |
N |
0 |
-2.851 |
0.521 |
0.331 |
50 |
O47 |
O |
O4 |
N |
N |
N |
0 |
-4.508 |
1.992 |
-2.048 |
51 |
O48 |
O |
O5 |
N |
N |
N |
0 |
-5.043 |
3.971 |
-0.663 |
52 |
O49 |
O |
O6 |
N |
N |
N |
0 |
2.604 |
-2.499 |
-1.712 |
53 |
O50 |
O |
O7 |
N |
N |
N |
0 |
3.874 |
-2.804 |
0.082 |
54 |
O51 |
O |
O8 |
N |
N |
N |
0 |
5.763 |
3.403 |
-3.225 |
55 |
O56 |
O |
O9 |
N |
N |
N |
0 |
-5.39 |
-0.164 |
-0.75 |
56 |
S52 |
S |
S1 |
N |
N |
N |
0 |
-5.298 |
2.629 |
-1.053 |
57 |
H101 |
H |
H1 |
N |
N |
N |
0 |
-2.164 |
-2.857 |
-0.921 |
58 |
H102 |
H |
H2 |
N |
N |
N |
0 |
-1.651 |
-3.742 |
-2.378 |
59 |
H131 |
H |
H3 |
N |
N |
N |
0 |
-5.113 |
-2.552 |
2.179 |
60 |
H151 |
H |
H4 |
N |
N |
N |
0 |
3.977 |
1.994 |
4.59 |
61 |
H152 |
H |
H5 |
N |
N |
N |
0 |
4.141 |
3.766 |
4.618 |
62 |
H153 |
H |
H6 |
N |
N |
N |
0 |
2.541 |
3.025 |
4.378 |
63 |
H171 |
H |
H7 |
N |
N |
N |
0 |
0.672 |
2.197 |
0.561 |
64 |
H201 |
H |
H8 |
N |
N |
N |
0 |
-0.274 |
-4.472 |
0.174 |
65 |
H202 |
H |
H9 |
N |
N |
N |
0 |
0.383 |
-4.322 |
-1.473 |
66 |
H212 |
H |
H10 |
N |
N |
N |
0 |
-2.201 |
-5.856 |
-1.417 |
67 |
H211 |
H |
H11 |
N |
N |
N |
0 |
-2.312 |
-5.17 |
0.222 |
68 |
H241 |
H |
H12 |
N |
N |
N |
0 |
-8.672 |
3.458 |
-2.55 |
69 |
H242 |
H |
H13 |
N |
N |
N |
0 |
-6.972 |
3.696 |
-3.224 |
70 |
H021 |
H |
H14 |
N |
N |
N |
0 |
-0.605 |
1.878 |
3.153 |
71 |
H022 |
H |
H15 |
N |
N |
N |
0 |
-1.372 |
2.259 |
1.585 |
72 |
H032 |
H |
H16 |
N |
N |
N |
0 |
-3.781 |
-2.985 |
0.22 |
73 |
H031 |
H |
H17 |
N |
N |
N |
0 |
-4.626 |
-4.356 |
0.978 |
74 |
H041 |
H |
H18 |
N |
N |
N |
0 |
-6.329 |
-3.544 |
-1.237 |
75 |
H081 |
H |
H19 |
N |
N |
N |
0 |
1.213 |
0.056 |
-0.046 |
76 |
H082 |
H |
H20 |
N |
N |
N |
0 |
1.64 |
-0.381 |
1.63 |
77 |
H091 |
H |
H21 |
N |
N |
N |
0 |
0.337 |
-1.879 |
-1.314 |
78 |
H111 |
H |
H22 |
N |
N |
N |
0 |
-4.137 |
-4.237 |
-2.018 |
79 |
H112 |
H |
H23 |
N |
N |
N |
0 |
-4.538 |
-5.654 |
-1.018 |
80 |
H121 |
H |
H24 |
N |
N |
N |
0 |
-7.313 |
-1.818 |
0.111 |
81 |
H142 |
H |
H25 |
N |
N |
N |
0 |
-7.181 |
-0.198 |
2.065 |
82 |
H232 |
H |
H29 |
N |
N |
N |
0 |
-8.329 |
0.945 |
-2.569 |
83 |
H141 |
H |
H26 |
N |
N |
N |
0 |
-6.112 |
-0.636 |
3.502 |
84 |
H181 |
H |
H27 |
N |
N |
N |
0 |
-1.261 |
-0.311 |
3.022 |
85 |
H231 |
H |
H28 |
N |
N |
N |
0 |
-6.629 |
1.182 |
-3.243 |
86 |
H272 |
H |
H30 |
N |
N |
N |
0 |
5.253 |
-0.633 |
-0.762 |
87 |
H273 |
H |
H31 |
N |
N |
N |
0 |
5.957 |
-1.43 |
-2.191 |
88 |
H271 |
H |
H32 |
N |
N |
N |
0 |
4.191 |
-1.257 |
-2.047 |
89 |
H292 |
H |
H33 |
N |
N |
N |
0 |
4.039 |
-3.757 |
-2.416 |
90 |
H293 |
H |
H34 |
N |
N |
N |
0 |
5.814 |
-3.879 |
-2.463 |
91 |
H291 |
H |
H35 |
N |
N |
N |
0 |
4.885 |
-4.861 |
-1.305 |
92 |
H311 |
H |
H36 |
N |
N |
N |
0 |
3.618 |
2.508 |
-2.051 |
93 |
H332 |
H |
H37 |
N |
N |
N |
0 |
7.092 |
4.978 |
-3.371 |
94 |
H333 |
H |
H38 |
N |
N |
N |
0 |
7.828 |
3.362 |
-3.257 |
95 |
H331 |
H |
H39 |
N |
N |
N |
0 |
7.048 |
3.879 |
-4.771 |
96 |
H341 |
H |
H40 |
N |
N |
N |
0 |
7.45 |
4.297 |
-1.439 |
97 |
H351 |
H |
H41 |
N |
N |
N |
0 |
7.111 |
4.312 |
0.971 |
98 |
H372 |
H |
H42 |
N |
N |
N |
0 |
-8.854 |
1.688 |
-0.42 |
99 |
H371 |
H |
H43 |
N |
N |
N |
0 |
-7.418 |
1.741 |
0.631 |
100 |
H373 |
H |
H44 |
N |
N |
N |
0 |
-8.251 |
3.25 |
0.185 |
101 |
H391 |
H |
H45 |
N |
N |
N |
0 |
-3.595 |
-0.424 |
3.197 |
102 |
H401 |
H |
H46 |
N |
N |
N |
0 |
-4.759 |
2.192 |
1.139 |
103 |
H411 |
H |
H47 |
N |
N |
N |
0 |
1.624 |
-2.591 |
1.215 |
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