TN0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O05	C04	sing	1.36Å	1.41Å
C04	C06	doub	1.38Å	1.39Å	Aromatic
C04	C03	sing	1.39Å	1.39Å	Aromatic
O02	C03	sing	1.36Å	1.41Å
O02	C01	sing	1.43Å	1.41Å
C06	C07	sing	1.40Å	1.39Å	Aromatic
C03	C09	doub	1.39Å	1.39Å	Aromatic
C07	C10	sing	1.47Å	1.53Å
C07	C08	doub	1.40Å	1.39Å	Aromatic
C09	C08	sing	1.38Å	1.39Å	Aromatic
C10	C11	doub	1.36Å	1.34Å
O16	C15	doub	1.22Å	1.19Å
C11	C15	sing	1.47Å	1.57Å
C11	S12	sing	1.77Å	1.66Å
C15	N14	sing	1.32Å	1.64Å
S12	C13	sing	1.77Å	1.68Å
N14	C13	sing	1.37Å	1.53Å
C13	N17	doub	1.31Å	1.25Å
N17	C18	sing	1.37Å	1.44Å
C19	C18	doub	1.40Å	1.39Å	Aromatic
C19	C20	sing	1.38Å	1.38Å	Aromatic
C18	C23	sing	1.40Å	1.39Å	Aromatic
C20	C21	doub	1.38Å	1.39Å	Aromatic
C23	C22	doub	1.38Å	1.38Å	Aromatic
C21	C22	sing	1.38Å	1.39Å	Aromatic
C01	H1	sing	1.09Å	1.10Å
C01	H2	sing	1.09Å	1.10Å
C01	H3	sing	1.09Å	1.10Å
C06	H4	sing	1.08Å	1.08Å
C08	H5	sing	1.08Å	1.08Å
C09	H6	sing	1.08Å	1.08Å
C10	H7	sing	1.08Å	1.08Å
C19	H8	sing	1.08Å	1.08Å
C20	H9	sing	1.08Å	1.08Å
C21	H10	sing	1.08Å	1.08Å
C22	H11	sing	1.08Å	1.08Å
C23	H12	sing	1.08Å	1.08Å
O05	H14	sing	0.97Å	0.95Å
N14	H15	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O05	C04	C06	121.8°	120.0°
O05	C04	C03	118.2°	120.0°
C04	O05	H14	109.5°	114.0°
C06	C04	C03	120.0°	120.0°
C04	C06	C07	120.0°	119.8°
C04	C06	H4	120.0°	120.1°
C04	C03	O02	118.3°	119.9°
C04	C03	C09	120.0°	120.2°
C03	O02	C01	117.8°	117.0°
O02	C03	C09	121.7°	119.9°
O02	C01	H1	109.5°	109.5°
O02	C01	H2	109.5°	109.5°
O02	C01	H3	109.5°	109.5°
C06	C07	C10	117.9°	120.1°
C06	C07	C08	120.0°	119.8°
C07	C06	H4	120.0°	120.1°
C03	C09	C08	120.3°	120.2°
C03	C09	H6	119.9°	119.9°
C10	C07	C08	122.1°	120.1°
C07	C10	C11	130.4°	120.0°
C07	C10	H7	114.8°	120.0°
C07	C08	C09	119.8°	120.0°
C07	C08	H5	120.1°	120.0°
C09	C08	H5	120.1°	120.0°
C08	C09	H6	119.8°	119.9°
C10	C11	C15	119.3°	127.7°
C10	C11	S12	132.8°	127.7°
C11	C10	H7	114.8°	120.0°
O16	C15	C11	128.4°	122.4°
O16	C15	N14	122.8°	122.3°
C15	C11	S12	107.9°	104.5°
C11	C15	N14	108.8°	115.3°
C11	S12	C13	105.5°	94.8°
C15	N14	C13	109.5°	118.7°
C15	N14	H15	125.3°	120.7°
S12	C13	N14	108.4°	106.7°
S12	C13	N17	133.5°	126.7°
N14	C13	N17	118.2°	126.6°
C13	N14	H15	125.2°	120.6°
C13	N17	C18	127.9°	120.0°
N17	C18	C19	119.2°	120.1°
N17	C18	C23	119.2°	120.2°
C18	C19	C20	118.9°	119.9°
C19	C18	C23	121.5°	119.7°
C18	C19	H8	120.5°	120.0°
C19	C20	C21	119.8°	120.1°
C20	C19	H8	120.6°	120.1°
C19	C20	H9	120.1°	119.9°
C18	C23	C22	119.3°	119.9°
C18	C23	H12	120.3°	120.1°
C20	C21	C22	121.0°	120.4°
C21	C20	H9	120.1°	120.0°
C20	C21	H10	119.5°	119.9°
C23	C22	C21	119.5°	120.1°
C23	C22	H11	120.3°	119.9°
C22	C23	H12	120.4°	120.1°
C22	C21	H10	119.5°	119.8°
C21	C22	H11	120.3°	120.0°
H1	C01	H2	109.5°	109.5°
H1	C01	H3	109.5°	109.5°
H2	C01	H3	109.4°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O05	C04	C06	C03	179.7°	180.0°
O05	C04	C03	O02	0.8°	0.3°
O05	C04	C06	C07	180.0°	180.0°
O05	C04	C03	C09	179.8°	179.9°
O05	C04	C06	H4	0.0°	0.0°
C06	C04	C03	O02	178.9°	179.8°
C04	C06	C07	H4	180.0°	180.0°
C06	C04	C03	C09	0.4°	0.0°
C04	C06	C07	C10	179.7°	180.0°
C04	C06	C07	C08	0.4°	0.1°
C06	C04	O05	H14	180.0°	90.0°
C04	C03	O02	C09	179.4°	179.8°
C04	C03	O02	C01	165.6°	179.7°
C03	C04	C06	C07	0.3°	0.0°
C04	C03	C09	C08	0.8°	0.0°
C03	C04	C06	H4	179.7°	180.0°
C04	C03	C09	H6	179.3°	180.0°
C03	C04	O05	H14	0.3°	90.0°
O02	C03	C09	C08	178.6°	179.8°
C03	O02	C01	H1	180.0°	180.0°
C03	O02	C01	H2	60.0°	60.0°
C03	O02	C01	H3	60.0°	59.9°
O02	C03	C09	H6	1.4°	0.2°
C01	O02	C03	C09	15.0°	0.1°
O02	C01	H1	H2	120.0°	120.0°
O02	C01	H1	H3	120.0°	120.0°
O02	C01	H2	H3	120.0°	120.0°
C06	C07	C10	C08	179.2°	179.9°
C06	C07	C08	C09	0.8°	0.1°
C06	C07	C10	C11	173.9°	157.9°
C06	C07	C08	H5	179.2°	179.9°
C06	C07	C10	H7	6.1°	22.0°
C03	C09	C08	C07	0.9°	0.0°
C03	C09	C08	H6	180.0°	180.0°
C03	C09	C08	H5	179.1°	180.0°
C10	C07	C08	C09	180.0°	180.0°
C07	C10	C11	H7	180.0°	179.9°
C07	C10	C11	C15	174.4°	172.6°
C07	C10	C11	S12	6.2°	7.7°
C10	C07	C06	H4	0.3°	0.1°
C10	C07	C08	H5	0.0°	0.0°
C07	C08	C09	H5	180.0°	180.0°
C08	C07	C10	C11	6.8°	22.2°
C08	C07	C06	H4	179.5°	180.0°
C07	C08	C09	H6	179.1°	180.0°
C08	C07	C10	H7	173.2°	157.9°
C10	C11	C15	O16	1.1°	0.0°
C10	C11	C15	S12	179.5°	179.7°
C10	C11	C15	N14	179.2°	180.0°
C10	C11	S12	C13	178.8°	180.0°
O16	C15	C11	N14	179.7°	180.0°
O16	C15	C11	S12	179.4°	179.8°
O16	C15	N14	C13	179.8°	180.0°
O16	C15	N14	H15	0.2°	0.0°
C15	C11	S12	C13	0.6°	0.3°
C11	C15	N14	C13	0.1°	0.1°
C15	C11	C10	H7	5.6°	7.5°
C11	C15	N14	H15	179.9°	180.0°
S12	C11	C15	N14	0.3°	0.2°
C11	S12	C13	N14	0.7°	0.2°
C11	S12	C13	N17	179.1°	179.9°
S12	C11	C10	H7	173.7°	172.2°
C15	N14	C13	S12	0.5°	0.2°
C15	N14	C13	H15	180.0°	179.9°
C15	N14	C13	N17	179.3°	180.0°
S12	C13	N14	N17	179.8°	179.9°
S12	C13	N17	C18	1.8°	0.2°
S12	C13	N14	H15	179.5°	179.8°
N14	C13	N17	C18	178.4°	179.9°
C13	N17	C18	C19	55.4°	44.7°
C13	N17	C18	C23	127.6°	135.0°
N17	C13	N14	H15	0.7°	0.1°
N17	C18	C19	C23	177.0°	179.7°
N17	C18	C19	C20	178.7°	179.7°
N17	C18	C23	C22	178.1°	179.7°
N17	C18	C19	H8	1.3°	0.3°
N17	C18	C23	H12	1.9°	0.2°
C18	C19	C20	H8	180.0°	180.0°
C18	C19	C20	C21	0.8°	0.0°
C19	C18	C23	C22	1.1°	0.0°
C18	C19	C20	H9	179.2°	180.0°
C19	C18	C23	H12	178.9°	180.0°
C20	C19	C18	C23	1.7°	0.0°
C19	C20	C21	H9	180.0°	180.0°
C19	C20	C21	C22	0.7°	0.0°
C19	C20	C21	H10	179.3°	180.0°
C18	C23	C22	H12	180.0°	180.0°
C18	C23	C22	C21	0.4°	0.0°
C23	C18	C19	H8	178.3°	180.0°
C18	C23	C22	H11	179.6°	179.9°
C20	C21	C22	C23	1.3°	0.0°
C20	C21	C22	H10	180.0°	180.0°
C21	C20	C19	H8	179.2°	180.0°
C20	C21	C22	H11	178.7°	180.0°
C23	C22	C21	H11	180.0°	179.9°
C23	C22	C21	H10	178.7°	180.0°
C22	C21	C20	H9	179.3°	180.0°
C21	C22	C23	H12	179.6°	180.0°
H1	C01	H2	H3	120.0°	120.0°
H5	C08	C09	H6	0.9°	0.0°
H8	C19	C20	H9	0.8°	0.0°
H9	C20	C21	H10	0.6°	0.0°
H10	C21	C22	H11	1.3°	0.1°
H11	C22	C23	H12	0.4°	0.1°

Release date:	2024-04-24
Definition date:	2023-01-12
Last modified:	2024-04-19
Release status:	REL
Processing site:	PDBE
Derived from:	8C6N