PDBeChem : Chemical Bonds

Molecule : SUB

Bonds between two atoms of the molecule

Record	First Atom	Second Atom	First Element	Second Element	Bond Order Type	Bond Length	Bond Stereochemistry	Is Aromatic
1	C1	N1	C	N	sing	1.35	N	N
2	C1	O3	C	O	doub	1.21	N	N
3	C1	C16	C	C	sing	1.51	N	N
4	N1	C2	N	C	sing	1.46	N	N
5	N1	HN1	N	H	sing	0.97	N	N
6	C2	C4	C	C	sing	1.53	N	N
7	C2	C11	C	C	sing	1.51	N	N
8	C2	H2	C	H	sing	1.09	N	N
9	C3	O1	C	O	sing	1.45	N	N
10	C3	C12	C	C	sing	1.53	N	N
11	C3	H31	C	H	sing	1.09	N	N
12	C3	H32	C	H	sing	1.09	N	N
13	C4	C5	C	C	sing	1.51	N	N
14	C4	H41	C	H	sing	1.09	N	N
15	C4	H42	C	H	sing	1.09	N	N
16	C5	C6	C	C	doub	1.38	N	Y
17	C5	C10	C	C	sing	1.38	N	Y
18	C6	C7	C	C	sing	1.38	N	Y
19	C6	H6	C	H	sing	1.08	N	N
20	C7	C8	C	C	doub	1.38	N	Y
21	C7	H7	C	H	sing	1.08	N	N
22	C8	C9	C	C	sing	1.38	N	Y
23	C8	H8	C	H	sing	1.08	N	N
24	C9	C10	C	C	doub	1.38	N	Y
25	C9	H9	C	H	sing	1.08	N	N
26	C10	H10	C	H	sing	1.08	N	N
27	O1	C11	O	C	sing	1.34	N	N
28	O2	C11	O	C	doub	1.21	N	N
29	C12	H121	C	H	sing	1.09	N	N
30	C12	H122	C	H	sing	1.09	N	N
31	C12	H123	C	H	sing	1.09	N	N
32	C13	C14	C	C	sing	1.53	N	N
33	C13	N2	C	N	sing	1.46	N	N
34	C13	H131	C	H	sing	1.09	N	N
35	C13	H132	C	H	sing	1.09	N	N
36	C14	S1	C	S	sing	1.81	N	N
37	C14	H141	C	H	sing	1.09	N	N
38	C14	H142	C	H	sing	1.09	N	N
39	S1	C15	S	C	sing	1.82	N	N
40	C15	C16	C	C	sing	1.53	N	N
41	C15	H151	C	H	sing	1.09	N	N
42	C15	H152	C	H	sing	1.09	N	N
43	C16	N2	C	N	sing	1.46	N	N
44	C16	H16	C	H	sing	1.09	N	N
45	N2	S2	N	S	sing	1.66	N	N
46	S2	C17	S	C	sing	1.76	N	N
47	S2	O4	S	O	doub	1.42	N	N
48	S2	O5	S	O	doub	1.42	N	N
49	C17	C18	C	C	doub	1.38	N	Y
50	C17	C22	C	C	sing	1.38	N	Y
51	C18	C19	C	C	sing	1.38	N	Y
52	C18	H18	C	H	sing	1.08	N	N
53	C19	C20	C	C	doub	1.38	N	Y
54	C19	H19	C	H	sing	1.08	N	N
55	C20	C21	C	C	sing	1.38	N	Y
56	C20	C23	C	C	sing	1.51	N	N
57	C21	C22	C	C	doub	1.38	N	Y
58	C21	H21	C	H	sing	1.08	N	N
59	C22	H22	C	H	sing	1.08	N	N
60	C23	H231	C	H	sing	1.09	N	N
61	C23	H232	C	H	sing	1.09	N	N
62	C23	H233	C	H	sing	1.09	N	N

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