IZM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C15	N14	sing	1.46Å	1.48Å
C16	N14	sing	1.46Å	1.48Å
N14	C13	sing	1.38Å	1.44Å
C13	N12	doub	1.30Å	1.36Å	Aromatic
C13	S17	sing	1.71Å	1.61Å	Aromatic
N12	C11	sing	1.31Å	1.48Å	Aromatic
S17	C10	sing	1.76Å	1.58Å	Aromatic
C11	C10	doub	1.37Å	1.39Å	Aromatic
C10	C09	sing	1.42Å	1.57Å
C09	C08	doub	1.35Å	1.32Å
C08	C07	sing	1.42Å	1.51Å
C07	O06	sing	1.35Å	1.31Å	Aromatic
C07	N18	doub	1.32Å	1.35Å	Aromatic
O06	C05	sing	1.35Å	1.34Å	Aromatic
N18	C19	sing	1.36Å	1.39Å	Aromatic
C05	C19	doub	1.40Å	1.38Å	Aromatic
C05	C04	sing	1.39Å	1.43Å	Aromatic
C19	C20	sing	1.40Å	1.39Å	Aromatic
C04	C03	doub	1.38Å	1.37Å	Aromatic
C20	C21	doub	1.38Å	1.41Å	Aromatic
C03	C21	sing	1.39Å	1.40Å	Aromatic
C03	O02	sing	1.36Å	1.39Å
O02	C01	sing	1.43Å	1.43Å
C20	H1	sing	1.08Å	1.08Å
C21	H2	sing	1.08Å	1.08Å
C16	H3	sing	1.09Å	1.10Å
C16	H4	sing	1.09Å	1.10Å
C16	H5	sing	1.09Å	1.10Å
C15	H6	sing	1.09Å	1.10Å
C15	H7	sing	1.09Å	1.10Å
C15	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.08Å	1.08Å
C01	H10	sing	1.09Å	1.10Å
C01	H11	sing	1.09Å	1.10Å
C01	H12	sing	1.09Å	1.10Å
C04	H13	sing	1.08Å	1.08Å
C08	H14	sing	1.08Å	1.08Å
C09	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C15	N14	C16	120.5°	120.0°
C15	N14	C13	119.5°	120.0°
N14	C15	H6	109.5°	109.5°
N14	C15	H7	109.5°	109.5°
N14	C15	H8	109.5°	109.5°
C16	N14	C13	120.0°	120.0°
N14	C16	H3	109.5°	109.5°
N14	C16	H4	109.4°	109.5°
N14	C16	H5	109.5°	109.5°
N14	C13	N12	125.4°	124.7°
N14	C13	S17	124.3°	124.7°
N12	C13	S17	110.3°	110.6°
C13	N12	C11	110.2°	117.2°
C13	S17	C10	99.2°	90.5°
N12	C11	C10	109.9°	114.0°
N12	C11	H9	125.0°	123.0°
S17	C10	C11	110.3°	107.8°
S17	C10	C09	124.3°	126.1°
C11	C10	C09	125.4°	126.1°
C10	C11	H9	125.0°	123.0°
C10	C09	C08	113.0°	120.0°
C10	C09	H16	123.5°	120.0°
C09	C08	C07	111.6°	120.0°
C09	C08	H14	124.2°	120.0°
C08	C09	H16	123.5°	120.0°
C08	C07	O06	124.9°	125.0°
C08	C07	N18	126.7°	125.1°
C07	C08	H14	124.2°	120.0°
O06	C07	N18	108.4°	109.9°
C07	O06	C05	110.4°	108.1°
C07	N18	C19	107.9°	108.7°
O06	C05	C19	107.4°	106.5°
O06	C05	C04	132.0°	133.6°
N18	C19	C05	105.8°	106.8°
N18	C19	C20	134.5°	133.5°
C19	C05	C04	120.6°	119.9°
C05	C19	C20	119.7°	119.7°
C05	C04	C03	119.7°	119.9°
C05	C04	H13	120.2°	120.1°
C19	C20	C21	120.0°	119.8°
C19	C20	H1	120.0°	120.1°
C04	C03	C21	119.9°	120.4°
C04	C03	O02	120.0°	119.8°
C03	C04	H13	120.1°	120.1°
C20	C21	C03	120.3°	120.3°
C21	C20	H1	120.0°	120.1°
C20	C21	H2	119.8°	119.9°
C21	C03	O02	120.1°	119.8°
C03	C21	H2	119.9°	119.8°
C03	O02	C01	114.0°	117.0°
O02	C01	H10	109.5°	109.4°
O02	C01	H11	109.5°	109.5°
O02	C01	H12	109.4°	109.5°
H3	C16	H4	109.5°	109.5°
H3	C16	H5	109.5°	109.5°
H4	C16	H5	109.4°	109.4°
H6	C15	H7	109.4°	109.4°
H6	C15	H8	109.4°	109.4°
H7	C15	H8	109.5°	109.5°
H10	C01	H11	109.5°	109.4°
H10	C01	H12	109.4°	109.5°
H11	C01	H12	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C15	N14	C16	C13	179.8°	179.9°
C15	N14	C13	N12	163.7°	180.0°
C15	N14	C13	S17	16.2°	0.3°
C15	N14	C16	H3	180.0°	89.9°
C15	N14	C16	H4	60.0°	150.0°
C15	N14	C16	H5	60.0°	30.1°
N14	C15	H6	H7	120.0°	120.0°
N14	C15	H6	H8	120.0°	120.0°
N14	C15	H7	H8	120.0°	120.1°
C16	N14	C13	N12	16.6°	0.0°
C16	N14	C13	S17	163.5°	179.8°
N14	C16	H3	H4	120.0°	120.0°
N14	C16	H3	H5	120.0°	120.0°
N14	C16	H4	H5	120.0°	119.9°
C16	N14	C15	H6	180.0°	0.1°
C16	N14	C15	H7	60.0°	120.0°
C16	N14	C15	H8	60.0°	119.9°
N14	C13	N12	S17	179.9°	179.8°
N14	C13	N12	C11	179.9°	179.7°
N14	C13	S17	C10	180.0°	179.7°
C13	N14	C16	H3	0.2°	90.0°
C13	N14	C16	H4	120.3°	30.0°
C13	N14	C16	H5	119.8°	150.0°
C13	N14	C15	H6	0.3°	180.0°
C13	N14	C15	H7	119.7°	60.0°
C13	N14	C15	H8	120.2°	60.0°
N12	C13	S17	C10	0.1°	0.0°
C13	N12	C11	C10	0.2°	0.0°
C13	N12	C11	H9	179.7°	180.0°
S17	C13	N12	C11	0.2°	0.0°
C13	S17	C10	C11	0.0°	0.0°
C13	S17	C10	C09	179.7°	180.0°
N12	C11	C10	S17	0.2°	0.0°
N12	C11	C10	H9	180.0°	179.9°
N12	C11	C10	C09	179.8°	180.0°
S17	C10	C11	C09	179.7°	180.0°
S17	C10	C09	C08	179.0°	0.0°
S17	C10	C11	H9	179.8°	179.9°
S17	C10	C09	H16	0.9°	179.9°
C11	C10	C09	C08	1.3°	180.0°
C11	C10	C09	H16	178.7°	0.1°
C10	C09	C08	H16	180.0°	179.9°
C10	C09	C08	C07	179.9°	180.0°
C09	C10	C11	H9	0.1°	0.1°
C10	C09	C08	H14	0.1°	0.0°
C09	C08	C07	H14	180.0°	180.0°
C09	C08	C07	O06	5.7°	180.0°
C09	C08	C07	N18	174.2°	0.0°
C08	C07	O06	N18	179.9°	180.0°
C08	C07	O06	C05	179.9°	180.0°
C08	C07	N18	C19	180.0°	180.0°
C07	C08	C09	H16	0.1°	0.0°
O06	C07	N18	C19	0.1°	0.1°
C07	O06	C05	C19	0.1°	0.0°
C07	O06	C05	C04	179.8°	179.3°
O06	C07	C08	H14	174.2°	0.1°
N18	C07	O06	C05	0.0°	0.1°
C07	N18	C19	C05	0.1°	0.0°
C07	N18	C19	C20	180.0°	180.0°
N18	C07	C08	H14	5.9°	180.0°
O06	C05	C19	N18	0.1°	0.0°
O06	C05	C19	C04	179.8°	179.4°
O06	C05	C19	C20	179.9°	180.0°
O06	C05	C04	C03	180.0°	180.0°
O06	C05	C04	H13	0.0°	0.5°
N18	C19	C05	C20	179.9°	180.0°
N18	C19	C05	C04	179.9°	179.4°
N18	C19	C20	C21	179.8°	180.0°
N18	C19	C20	H1	0.2°	0.3°
C19	C05	C04	C03	0.3°	0.8°
C05	C19	C20	C21	0.1°	0.0°
C05	C19	C20	H1	179.9°	179.7°
C19	C05	C04	H13	179.7°	179.7°
C04	C05	C19	C20	0.2°	0.6°
C05	C04	C03	H13	180.0°	179.5°
C05	C04	C03	C21	0.1°	0.5°
C05	C04	C03	O02	179.9°	179.5°
C19	C20	C21	H1	180.0°	179.7°
C19	C20	C21	C03	0.2°	0.3°
C19	C20	C21	H2	179.8°	179.8°
C04	C03	C21	C20	0.1°	0.1°
C04	C03	C21	O02	179.9°	180.0°
C04	C03	O02	C01	97.6°	179.9°
C04	C03	C21	H2	179.9°	180.0°
C20	C21	C03	H2	180.0°	179.9°
C20	C21	C03	O02	179.8°	179.9°
C21	C03	O02	C01	82.3°	0.0°
C03	C21	C20	H1	179.8°	179.9°
C21	C03	C04	H13	179.9°	179.9°
O02	C03	C21	H2	0.2°	0.1°
C03	O02	C01	H10	180.0°	60.0°
C03	O02	C01	H11	60.0°	59.9°
C03	O02	C01	H12	60.0°	180.0°
O02	C03	C04	H13	0.1°	0.0°
O02	C01	H10	H11	120.0°	120.0°
O02	C01	H10	H12	120.0°	120.0°
O02	C01	H11	H12	120.0°	120.1°
H1	C20	C21	H2	0.2°	0.0°
H3	C16	H4	H5	120.0°	120.0°
H6	C15	H7	H8	120.0°	119.9°
H10	C01	H11	H12	120.0°	120.0°
H14	C08	C09	H16	179.9°	179.9°

Release date:	2023-08-02
Definition date:	2022-08-04
Last modified:	2023-07-28
Release status:	REL
Processing site:	PDBJ
Derived from:	7YNP