 |
PDBeChem : Atoms of Molecule
Molecule : 0SH
Atoms of a chemical element, that composes a molecule
Total Number of Atoms: 129
Record |
Atom Name |
Symbol |
PDB Name |
Stereochemistry |
Is Aromatic |
Is Leaving Atom |
Charge |
X-Coordinate |
Y-Coordinate |
Z-Coordinate |
1 |
C18 |
C |
C18 |
N |
N |
N |
0 |
-17.006 |
-8.335 |
-0.854 |
2 |
C17 |
C |
C17 |
N |
N |
N |
0 |
-16.416 |
-6.938 |
-1.058 |
3 |
C16 |
C |
C16 |
N |
N |
N |
0 |
-14.97 |
-6.918 |
-0.558 |
4 |
C15 |
C |
C15 |
N |
N |
N |
0 |
-14.38 |
-5.521 |
-0.761 |
5 |
C14 |
C |
C14 |
N |
N |
N |
0 |
-12.934 |
-5.501 |
-0.261 |
6 |
C13 |
C |
C13 |
N |
N |
N |
0 |
-12.344 |
-4.104 |
-0.464 |
7 |
C12 |
C |
C12 |
N |
N |
N |
0 |
-10.898 |
-4.083 |
0.036 |
8 |
C11 |
C |
C11 |
N |
N |
N |
0 |
-10.307 |
-2.687 |
-0.167 |
9 |
C10 |
C |
C10 |
N |
N |
N |
0 |
-8.862 |
-2.666 |
0.333 |
10 |
C9 |
C |
C9 |
N |
N |
N |
0 |
-8.271 |
-1.27 |
0.13 |
11 |
C8 |
C |
C8 |
N |
N |
N |
0 |
-6.826 |
-1.249 |
0.631 |
12 |
C7 |
C |
C7 |
N |
N |
N |
0 |
-6.235 |
0.148 |
0.427 |
13 |
C6 |
C |
C6 |
N |
N |
N |
0 |
-4.79 |
0.168 |
0.928 |
14 |
C5 |
C |
C5 |
N |
N |
N |
0 |
-4.199 |
1.565 |
0.724 |
15 |
C4 |
C |
C4 |
R |
N |
N |
0 |
-2.754 |
1.586 |
1.225 |
16 |
O4 |
O |
O4 |
N |
N |
N |
0 |
-1.957 |
0.717 |
0.417 |
17 |
C3 |
C |
C3 |
S |
N |
N |
0 |
-2.204 |
3.011 |
1.137 |
18 |
O3 |
O |
O3 |
N |
N |
N |
0 |
-3.0 |
3.879 |
1.944 |
19 |
C2 |
C |
C2 |
S |
N |
N |
0 |
-0.758 |
3.031 |
1.637 |
20 |
C1 |
C |
C1 |
N |
N |
N |
0 |
-0.253 |
4.475 |
1.679 |
21 |
O1A |
O |
O1A |
N |
N |
N |
0 |
-0.404 |
5.069 |
0.388 |
22 |
C1A |
C |
C1A |
S |
N |
N |
0 |
0.041 |
6.426 |
0.317 |
23 |
O6A |
O |
O6A |
N |
N |
N |
0 |
1.465 |
6.467 |
0.421 |
24 |
C5M |
C |
C5M |
R |
N |
N |
0 |
2.146 |
5.725 |
-0.593 |
25 |
C6A |
C |
C6A |
N |
N |
N |
0 |
3.656 |
5.817 |
-0.366 |
26 |
O5A |
O |
O5A |
N |
N |
N |
0 |
3.993 |
5.171 |
0.864 |
27 |
C4A |
C |
C4A |
R |
N |
N |
0 |
1.8 |
6.306 |
-1.967 |
28 |
O4A |
O |
O4A |
N |
N |
N |
0 |
2.255 |
7.659 |
-2.042 |
29 |
C3A |
C |
C3A |
S |
N |
N |
0 |
0.281 |
6.266 |
-2.162 |
30 |
O3A |
O |
O3A |
N |
N |
N |
0 |
-0.057 |
6.874 |
-3.41 |
31 |
C2A |
C |
C2A |
R |
N |
N |
0 |
-0.39 |
7.035 |
-1.019 |
32 |
O2A |
O |
O2A |
N |
N |
N |
0 |
-1.81 |
6.943 |
-1.151 |
33 |
N2 |
N |
N2 |
N |
N |
N |
0 |
0.084 |
2.245 |
0.732 |
34 |
CAA |
C |
CAA |
N |
N |
N |
0 |
1.229 |
1.696 |
1.183 |
35 |
OAA |
O |
OAA |
N |
N |
N |
0 |
1.562 |
1.852 |
2.339 |
36 |
CAB |
C |
CAB |
N |
N |
N |
0 |
2.094 |
0.887 |
0.252 |
37 |
CAC |
C |
CAC |
N |
N |
N |
0 |
3.324 |
0.381 |
1.009 |
38 |
CAD |
C |
CAD |
N |
N |
N |
0 |
4.203 |
-0.44 |
0.063 |
39 |
CAE |
C |
CAE |
N |
N |
N |
0 |
5.432 |
-0.946 |
0.82 |
40 |
CAF |
C |
CAF |
N |
N |
N |
0 |
6.312 |
-1.767 |
-0.126 |
41 |
CAG |
C |
CAG |
N |
N |
N |
0 |
7.541 |
-2.273 |
0.631 |
42 |
CAH |
C |
CAH |
N |
N |
N |
0 |
8.42 |
-3.094 |
-0.314 |
43 |
CAI |
C |
CAI |
N |
N |
N |
0 |
9.649 |
-3.6 |
0.443 |
44 |
CAJ |
C |
CAJ |
N |
N |
N |
0 |
10.529 |
-4.42 |
-0.503 |
45 |
CAK |
C |
CAK |
N |
N |
N |
0 |
11.758 |
-4.927 |
0.254 |
46 |
CAL |
C |
CAL |
N |
N |
N |
0 |
12.637 |
-5.747 |
-0.692 |
47 |
CAM |
C |
CAM |
N |
N |
N |
0 |
13.867 |
-6.254 |
0.066 |
48 |
CAN |
C |
CAN |
N |
N |
N |
0 |
14.746 |
-7.074 |
-0.88 |
49 |
CAO |
C |
CAO |
N |
N |
N |
0 |
15.975 |
-7.581 |
-0.123 |
50 |
CAP |
C |
CAP |
N |
N |
N |
0 |
16.854 |
-8.401 |
-1.069 |
51 |
H1 |
H |
H1 |
N |
N |
N |
0 |
-16.985 |
-8.587 |
0.206 |
52 |
H2 |
H |
H2 |
N |
N |
N |
0 |
-18.036 |
-8.35 |
-1.211 |
53 |
H3 |
H |
H3 |
N |
N |
N |
0 |
-16.418 |
-9.063 |
-1.413 |
54 |
H4 |
H |
H4 |
N |
N |
N |
0 |
-16.437 |
-6.686 |
-2.119 |
55 |
H5 |
H |
H5 |
N |
N |
N |
0 |
-17.004 |
-6.21 |
-0.5 |
56 |
H6 |
H |
H6 |
N |
N |
N |
0 |
-14.949 |
-7.17 |
0.503 |
57 |
H7 |
H |
H7 |
N |
N |
N |
0 |
-14.382 |
-7.646 |
-1.116 |
58 |
H8 |
H |
H8 |
N |
N |
N |
0 |
-14.4 |
-5.269 |
-1.822 |
59 |
H9 |
H |
H9 |
N |
N |
N |
0 |
-14.968 |
-4.793 |
-0.203 |
60 |
H10 |
H |
H10 |
N |
N |
N |
0 |
-12.913 |
-5.753 |
0.8 |
61 |
H11 |
H |
H11 |
N |
N |
N |
0 |
-12.346 |
-6.229 |
-0.819 |
62 |
H12 |
H |
H12 |
N |
N |
N |
0 |
-12.364 |
-3.852 |
-1.525 |
63 |
H13 |
H |
H13 |
N |
N |
N |
0 |
-12.932 |
-3.376 |
0.094 |
64 |
H14 |
H |
H14 |
N |
N |
N |
0 |
-10.877 |
-4.335 |
1.097 |
65 |
H15 |
H |
H15 |
N |
N |
N |
0 |
-10.31 |
-4.812 |
-0.522 |
66 |
H16 |
H |
H16 |
N |
N |
N |
0 |
-10.328 |
-2.435 |
-1.227 |
67 |
H17 |
H |
H17 |
N |
N |
N |
0 |
-10.896 |
-1.959 |
0.391 |
68 |
H18 |
H |
H18 |
N |
N |
N |
0 |
-8.841 |
-2.918 |
1.394 |
69 |
H19 |
H |
H19 |
N |
N |
N |
0 |
-8.274 |
-3.394 |
-0.225 |
70 |
H20 |
H |
H20 |
N |
N |
N |
0 |
-8.292 |
-1.017 |
-0.93 |
71 |
H21 |
H |
H21 |
N |
N |
N |
0 |
-8.86 |
-0.541 |
0.688 |
72 |
H22 |
H |
H22 |
N |
N |
N |
0 |
-6.805 |
-1.501 |
1.691 |
73 |
H23 |
H |
H23 |
N |
N |
N |
0 |
-6.238 |
-1.977 |
0.072 |
74 |
H24 |
H |
H24 |
N |
N |
N |
0 |
-6.256 |
0.4 |
-0.633 |
75 |
H25 |
H |
H25 |
N |
N |
N |
0 |
-6.824 |
0.876 |
0.985 |
76 |
H26 |
H |
H26 |
N |
N |
N |
0 |
-4.769 |
-0.084 |
1.988 |
77 |
H28 |
H |
H28 |
N |
N |
N |
0 |
-4.22 |
1.817 |
-0.336 |
78 |
H30 |
H |
H30 |
N |
N |
N |
0 |
-2.723 |
1.248 |
2.26 |
79 |
H31 |
H |
H31 |
N |
N |
N |
0 |
-1.938 |
0.958 |
-0.52 |
80 |
H32 |
H |
H32 |
N |
N |
N |
0 |
-2.234 |
3.349 |
0.101 |
81 |
H33 |
H |
H33 |
N |
N |
N |
0 |
-3.041 |
3.623 |
2.876 |
82 |
H34 |
H |
H34 |
N |
N |
N |
0 |
-0.714 |
2.602 |
2.638 |
83 |
H35 |
H |
H35 |
N |
N |
N |
0 |
-0.831 |
5.041 |
2.409 |
84 |
H36 |
H |
H36 |
N |
N |
N |
0 |
0.799 |
4.484 |
1.963 |
85 |
H37 |
H |
H37 |
N |
N |
N |
0 |
-0.4 |
6.996 |
1.135 |
86 |
H38 |
H |
H38 |
N |
N |
N |
0 |
1.834 |
4.681 |
-0.552 |
87 |
H39 |
H |
H39 |
N |
N |
N |
0 |
4.178 |
5.327 |
-1.188 |
88 |
H40 |
H |
H40 |
N |
N |
N |
0 |
3.954 |
6.864 |
-0.32 |
89 |
H41 |
H |
H41 |
N |
N |
N |
0 |
4.937 |
5.19 |
1.073 |
90 |
H42 |
H |
H42 |
N |
N |
N |
0 |
2.283 |
5.715 |
-2.745 |
91 |
H43 |
H |
H43 |
N |
N |
N |
0 |
2.065 |
8.092 |
-2.885 |
92 |
H44 |
H |
H44 |
N |
N |
N |
0 |
-0.06 |
5.231 |
-2.154 |
93 |
H45 |
H |
H45 |
N |
N |
N |
0 |
-1.005 |
6.883 |
-3.599 |
94 |
H46 |
H |
H46 |
N |
N |
N |
0 |
-0.088 |
8.082 |
-1.058 |
95 |
H47 |
H |
H47 |
N |
N |
N |
0 |
-2.3 |
7.408 |
-0.459 |
96 |
H48 |
H |
H48 |
N |
N |
N |
0 |
-0.183 |
2.121 |
-0.192 |
97 |
H49 |
H |
H49 |
N |
N |
N |
0 |
1.526 |
0.038 |
-0.128 |
98 |
H50 |
H |
H50 |
N |
N |
N |
0 |
2.413 |
1.513 |
-0.582 |
99 |
H51 |
H |
H51 |
N |
N |
N |
0 |
3.892 |
1.23 |
1.388 |
100 |
H52 |
H |
H52 |
N |
N |
N |
0 |
3.005 |
-0.244 |
1.843 |
101 |
H53 |
H |
H53 |
N |
N |
N |
0 |
3.635 |
-1.289 |
-0.316 |
102 |
H54 |
H |
H54 |
N |
N |
N |
0 |
4.522 |
0.185 |
-0.771 |
103 |
H55 |
H |
H55 |
N |
N |
N |
0 |
6.001 |
-0.097 |
1.199 |
104 |
H56 |
H |
H56 |
N |
N |
N |
0 |
5.114 |
-1.571 |
1.654 |
105 |
H57 |
H |
H57 |
N |
N |
N |
0 |
5.743 |
-2.616 |
-0.505 |
106 |
H58 |
H |
H58 |
N |
N |
N |
0 |
6.63 |
-1.141 |
-0.96 |
107 |
H59 |
H |
H59 |
N |
N |
N |
0 |
8.109 |
-1.423 |
1.01 |
108 |
H60 |
H |
H60 |
N |
N |
N |
0 |
7.222 |
-2.898 |
1.465 |
109 |
H61 |
H |
H61 |
N |
N |
N |
0 |
7.852 |
-3.943 |
-0.693 |
110 |
H62 |
H |
H62 |
N |
N |
N |
0 |
8.739 |
-2.468 |
-1.148 |
111 |
H63 |
H |
H63 |
N |
N |
N |
0 |
10.218 |
-2.75 |
0.822 |
112 |
H64 |
H |
H64 |
N |
N |
N |
0 |
9.331 |
-4.225 |
1.277 |
113 |
H65 |
H |
H65 |
N |
N |
N |
0 |
9.96 |
-5.27 |
-0.882 |
114 |
H66 |
H |
H66 |
N |
N |
N |
0 |
10.847 |
-3.795 |
-1.337 |
115 |
H67 |
H |
H67 |
N |
N |
N |
0 |
12.326 |
-4.077 |
0.633 |
116 |
H68 |
H |
H68 |
N |
N |
N |
0 |
11.439 |
-5.552 |
1.088 |
117 |
H69 |
H |
H69 |
N |
N |
N |
0 |
12.069 |
-6.597 |
-1.071 |
118 |
H70 |
H |
H70 |
N |
N |
N |
0 |
12.956 |
-5.122 |
-1.526 |
119 |
H71 |
H |
H71 |
N |
N |
N |
0 |
14.435 |
-5.404 |
0.445 |
120 |
H72 |
H |
H72 |
N |
N |
N |
0 |
13.548 |
-6.879 |
0.9 |
121 |
H73 |
H |
H73 |
N |
N |
N |
0 |
14.177 |
-7.924 |
-1.259 |
122 |
H74 |
H |
H74 |
N |
N |
N |
0 |
15.065 |
-6.449 |
-1.714 |
123 |
H75 |
H |
H75 |
N |
N |
N |
0 |
16.544 |
-6.731 |
0.256 |
124 |
H76 |
H |
H76 |
N |
N |
N |
0 |
15.656 |
-8.206 |
0.711 |
125 |
H77 |
H |
H77 |
N |
N |
N |
0 |
17.73 |
-8.762 |
-0.529 |
126 |
H78 |
H |
H78 |
N |
N |
N |
0 |
16.286 |
-9.251 |
-1.448 |
127 |
H79 |
H |
H79 |
N |
N |
N |
0 |
17.173 |
-7.776 |
-1.903 |
128 |
H27 |
H |
H27 |
N |
N |
N |
0 |
-4.201 |
-0.56 |
0.369 |
129 |
H29 |
H |
H29 |
N |
N |
N |
0 |
-4.788 |
2.293 |
1.282 |
|