Chemical Components in the PDB

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PDBeChem : Chemical Bonds

 Molecule : BXD    

Bonds between two atoms of the molecule

Total Number of Bonds: 80


Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 O32 S28 O S doub 1.4211471 N N
2 C25 S28 C S sing 1.8169309 N N
3 C25 C23 C C sing 1.5303209 N N
4 S28 O33 S O doub 1.4210299 N N
5 S28 C29 S C sing 1.8163227 N N
6 O71 C68 O C sing 1.4289597 N N
7 O71 C72 O C sing 1.4288726 N N
8 C75 C72 C C sing 1.5301424 N N
9 C36 N34 C N sing 1.4687266 N N
10 C36 C39 C C sing 1.5071207 N N
11 C47 C39 C C doub 1.3823817 N Y
12 C47 C45 C C sing 1.3830969 N Y
13 C68 C5 C C sing 1.5303804 N N
14 N34 C23 N C sing 1.4699092 N N
15 F4 C2 F C sing 1.3986586 N N
16 C29 C19 C C sing 1.5308318 N N
17 C39 C40 C C sing 1.3818371 N Y
18 C23 C21 C C sing 1.5258617 N N
19 C45 C43 C C doub 1.3823296 N Y
20 C5 C2 C C sing 1.5298069 N N
21 C5 O7 C O sing 1.4295912 N N
22 C2 F1 C F sing 1.398833 N N
23 C2 F3 C F sing 1.3993202 N N
24 C21 C19 C C sing 1.5261029 N N
25 C21 O62 C O sing 1.4288527 N N
26 C19 C16 C C sing 1.5305521 N N
27 C40 C42 C C doub 1.38211 N Y
28 C43 C42 C C sing 1.3822464 N Y
29 O7 C8 O C sing 1.3603169 N N
30 C42 C49 C C sing 1.5069519 N N
31 C14 C8 C C doub 1.3855995 N Y
32 C14 C13 C C sing 1.3825853 N Y
33 C16 C13 C C sing 1.5073224 N N
34 C8 C9 C C sing 1.3923552 N Y
35 C13 C11 C C doub 1.3824927 N Y
36 C9 N65 C N sing 1.401761 N N
37 C9 C10 C C doub 1.3882169 N Y
38 C11 C10 C C sing 1.3845638 N Y
39 C50 C49 C C sing 1.5300703 N N
40 C49 C54 C C sing 1.5294044 N N
41 C49 C58 C C sing 1.5305052 N N
42 C10 F64 C F sing 1.3513622 N N
43 C5 H1 C H sing 1.0897821 N N
44 C11 H2 C H sing 1.0794582 N N
45 C14 H3 C H sing 1.0799519 N N
46 C16 H4 C H sing 1.0896509 N N
47 C16 H5 C H sing 1.0897527 N N
48 C19 H6 C H sing 1.0896316 N N
49 C21 H7 C H sing 1.090227 N N
50 C23 H8 C H sing 1.0897307 N N
51 C25 H9 C H sing 1.0903362 N N
52 C25 H10 C H sing 1.0891657 N N
53 C29 H11 C H sing 1.0897747 N N
54 C29 H12 C H sing 1.0897464 N N
55 N34 H13 N H sing 1.0090679 N N
56 C36 H15 C H sing 1.0904499 N N
57 C36 H16 C H sing 1.0891042 N N
58 C40 H17 C H sing 1.0803444 N N
59 C43 H18 C H sing 1.0797666 N N
60 C45 H19 C H sing 1.0799731 N N
61 C47 H20 C H sing 1.0796968 N N
62 C50 H21 C H sing 1.0898784 N N
63 C50 H22 C H sing 1.0891377 N N
64 C50 H23 C H sing 1.0907053 N N
65 C54 H24 C H sing 1.0897307 N N
66 C54 H25 C H sing 1.0904875 N N
67 C54 H26 C H sing 1.089637 N N
68 C58 H27 C H sing 1.0904449 N N
69 C58 H28 C H sing 1.0904875 N N
70 C58 H29 C H sing 1.0897307 N N
71 O62 H30 O H sing 0.96664524 N N
72 N65 H31 N H sing 0.96999484 N N
73 N65 H32 N H sing 0.96990824 N N
74 C68 H33 C H sing 1.0899825 N N
75 C68 H34 C H sing 1.0901055 N N
76 C72 H35 C H sing 1.0895435 N N
77 C72 H36 C H sing 1.0902871 N N
78 C75 H37 C H sing 1.0900578 N N
79 C75 H38 C H sing 1.0899032 N N
80 C75 H39 C H sing 1.0893323 N N