Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : SPO

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 102


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 CM1 C CM1 N N N 0 -3.01 -0.859 14.783
2 O1 O O1 N N N 0 -2.938 0.1 13.727
3 C1 C C1 N N N 0 -3.841 -0.335 12.71
4 C2 C C2 N N N 0 -3.386 -1.693 12.17
5 C3 C C3 N N N 0 -5.247 -0.466 13.299
6 C4 C C4 N N N 0 -3.859 0.686 11.571
7 C5 C C5 N N N 0 -2.474 0.815 10.991
8 C6 C C6 N N N 0 -2.26 0.532 9.702
9 C7 C C7 N N N 0 -0.958 0.654 9.156
10 C8 C C8 N N N 0 0.185 1.101 10.029
11 C9 C C9 N N N 0 -0.741 0.367 7.845
12 C10 C C10 N N N 0 0.568 0.364 7.334
13 C11 C C11 N N N 0 0.779 0.18 5.998
14 C12 C C12 N N N 0 2.084 0.178 5.488
15 C13 C C13 N N N 0 3.256 0.377 6.415
16 C14 C C14 N N N 0 2.297 -0.006 4.14
17 C15 C C15 N N N 0 3.603 -0.069 3.64
18 C16 C C16 N N N 0 3.816 -0.15 2.281
19 C17 C C17 N N N 0 5.122 -0.212 1.78
20 C18 C C18 N N N 0 6.294 -0.191 2.727
21 C19 C C19 N N N 0 5.335 -0.294 0.421
22 C20 C C20 N N N 0 4.247 -0.314 -0.458
23 C21 C C21 N N N 0 4.46 -0.395 -1.816
24 C22 C C22 N N N 0 3.37 -0.415 -2.697
25 C23 C C23 N N N 0 3.582 -0.495 -4.043
26 C24 C C24 N N N 0 4.987 -0.563 -4.582
27 C25 C C25 N N N 0 2.488 -0.516 -4.926
28 C26 C C26 N N N 0 2.699 -0.488 -6.268
29 C27 C C27 N N N 0 1.599 -0.385 -7.156
30 C28 C C28 N N N 0 1.81 -0.258 -8.47
31 C29 C C29 N N N 0 3.21 -0.071 -8.994
32 C30 C C30 N N N 0 0.647 -0.303 -9.428
33 C31 C C31 N N N 0 0.105 1.111 -9.638
34 C32 C C32 N N N 0 -1.057 1.066 -10.596
35 C33 C C33 N N N 0 -2.193 1.635 -10.275
36 C34 C C34 N N N 0 -2.283 2.492 -9.038
37 C35 C C35 N N N 0 -3.409 1.432 -11.141
38 C36 C C36 N N N 0 -4.181 0.203 -10.656
39 C37 C C37 N N N 0 -5.397 0.0 -11.523
40 C38 C C38 N N N 0 -5.505 -1.079 -12.256
41 C39 C C39 N N N 0 -6.798 -1.377 -12.972
42 C40 C C40 N N N 0 -4.338 -2.023 -12.385
43 HM11 H 1HM1 N N N 0 -2.671 -1.828 14.417
44 H22A H 2H2 N N N 0 -3.567 -2.461 12.921
45 HM12 H 2HM1 N N N 0 -2.374 -0.54 15.609
46 HM13 H 3HM1 N N N 0 -4.04 -0.942 15.129
47 H21A H 1H2 N N N 0 -2.321 -1.653 11.94
48 H23 H 3H2 N N N 0 -3.945 -1.93 11.265
49 H31 H 1H3 N N N 0 -5.514 0.457 13.812
50 H32A H 2H3 N N N 0 -5.961 -0.655 12.497
51 H33 H 3H3 N N N 0 -5.269 -1.294 14.007
52 H41 H 1H4 N N N 0 -4.548 0.353 10.795
53 H42 H 2H4 N N N 0 -4.183 1.653 11.955
54 H5 H H5 N N N 0 -1.654 1.135 11.616
55 H6 H H6 N N N 0 -3.08 0.212 9.076
56 H81 H 1H8 N N N 0 0.679 0.228 10.457
57 H82 H 2H8 N N N 0 0.9 1.666 9.43
58 H83 H 3H8 N N N 0 -0.194 1.733 10.831
59 H9 H H9 N N N 0 -1.574 0.141 7.197
60 H10 H H10 N N N 0 1.407 0.507 7.998
61 H11 H H11 N N N 0 -0.06 0.038 5.334
62 H131 H 1H13 N N N 0 3.46 1.443 6.518
63 H132 H 2H13 N N N 0 3.021 -0.043 7.393
64 H133 H 3H13 N N N 0 4.133 -0.123 6.005
65 H14 H H14 N N N 0 1.456 -0.103 3.469
66 H15 H H15 N N N 0 4.443 -0.053 4.318
67 H16 H H16 N N N 0 2.976 -0.166 1.602
68 H181 H 1H18 N N N 0 7.222 -0.247 2.158
69 H182 H 2H18 N N N 0 6.277 0.733 3.305
70 H183 H 3H18 N N N 0 6.23 -1.043 3.404
71 H19 H H19 N N N 0 6.343 -0.342 0.035
72 H241 H 1H24 N N N 0 4.961 -0.529 -5.671
73 H20 H H20 N N N 0 3.239 -0.266 -0.071
74 H21 H H21 N N N 0 5.468 -0.443 -2.202
75 H22 H H22 N N N 0 2.363 -0.367 -2.31
76 H242 H 2H24 N N N 0 5.561 0.284 -4.206
77 H243 H 3H24 N N N 0 5.457 -1.492 -4.258
78 H25 H H25 N N N 0 1.481 -0.553 -4.538
79 H26 H H26 N N N 0 3.704 -0.544 -6.659
80 H27 H H27 N N N 0 0.59 -0.408 -6.771
81 H291 H 1H29 N N N 0 3.902 0.018 -8.156
82 H292 H 2H29 N N N 0 3.488 -0.931 -9.604
83 H293 H 3H29 N N N 0 3.254 0.833 -9.6
84 H301 H 1H30 N N N 0 0.978 -0.711 -10.383
85 H302 H 2H30 N N N 0 -0.138 -0.936 -9.016
86 H311 H 1H31 N N N 0 -0.226 1.519 -8.683
87 H312 H 2H31 N N N 0 0.891 1.744 -10.05
88 H32 H H32 N N N 0 -0.954 0.565 -11.547
89 H341 H 1H34 N N N 0 -1.291 2.602 -8.6
90 H342 H 2H34 N N N 0 -2.673 3.474 -9.305
91 H343 H 3H34 N N N 0 -2.949 2.02 -8.317
92 H351 H 1H35 N N N 0 -4.05 2.311 -11.08
93 H352 H 2H35 N N N 0 -3.097 1.28 -12.175
94 H361 H 1H36 N N N 0 -3.54 -0.676 -10.718
95 H362 H 2H36 N N N 0 -4.492 0.354 -9.623
96 H37 H H37 N N N 0 -6.179 0.744 -11.538
97 H391 H 1H39 N N N 0 -6.699 -2.31 -13.527
98 H392 H 2H39 N N N 0 -7.603 -1.472 -12.243
99 H393 H 3H39 N N N 0 -7.027 -0.566 -13.662
100 H401 H 1H40 N N N 0 -3.465 -1.59 -11.896
101 H402 H 2H40 N N N 0 -4.585 -2.974 -11.912
102 H403 H 3H40 N N N 0 -4.119 -2.188 -13.44