ROZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N	C	sing	1.35Å	1.33Å
C2	C3	doub	1.36Å	1.36Å	Aromatic
C2	C1	sing	1.41Å	1.40Å	Aromatic
C3	C4	sing	1.41Å	1.42Å	Aromatic
C	C1	sing	1.48Å	1.51Å
C	O	doub	1.22Å	1.24Å
C1	C17	doub	1.39Å	1.38Å	Aromatic
C4	C5	doub	1.40Å	1.42Å	Aromatic
C4	C16	sing	1.42Å	1.42Å	Aromatic
C5	N1	sing	1.31Å	1.32Å	Aromatic
C17	C16	sing	1.40Å	1.42Å	Aromatic
C16	C7	doub	1.41Å	1.43Å	Aromatic
N1	C6	doub	1.32Å	1.34Å	Aromatic
C7	C6	sing	1.38Å	1.39Å	Aromatic
C7	N2	sing	1.39Å	1.40Å
N2	C8	sing	1.35Å	1.34Å
C8	C9	sing	1.51Å	1.52Å
C8	O1	doub	1.21Å	1.23Å
C9	C10	sing	1.51Å	1.51Å
C10	C15	doub	1.38Å	1.39Å	Aromatic
C10	C11	sing	1.38Å	1.39Å	Aromatic
C15	C14	sing	1.38Å	1.38Å	Aromatic
C11	C12	doub	1.38Å	1.39Å	Aromatic
C14	CL	sing	1.74Å	1.74Å
C14	C13	doub	1.38Å	1.38Å	Aromatic
C12	C13	sing	1.38Å	1.39Å	Aromatic
C5	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C13	H3	sing	1.08Å	1.08Å
C15	H4	sing	1.08Å	1.08Å
C17	H5	sing	1.08Å	1.08Å
C12	H6	sing	1.08Å	1.08Å
C11	H7	sing	1.08Å	1.08Å
C9	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
N2	H10	sing	0.97Å	1.00Å
C3	H11	sing	1.08Å	1.08Å
C2	H12	sing	1.08Å	1.08Å
N	H13	sing	0.97Å	1.00Å
N	H14	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C	C1	117.8°	120.0°
N	C	O	122.6°	120.0°
C	N	H13	120.0°	120.0°
C	N	H14	120.0°	120.0°
C3	C2	C1	120.9°	121.0°
C2	C3	C4	120.9°	119.9°
C2	C3	H11	119.6°	120.1°
C3	C2	H12	119.5°	119.5°
C2	C1	C	121.4°	119.7°
C2	C1	C17	119.7°	120.5°
C1	C2	H12	119.5°	119.5°
C3	C4	C5	123.3°	121.8°
C3	C4	C16	118.8°	119.6°
C4	C3	H11	119.6°	120.1°
C1	C	O	119.5°	120.0°
C	C1	C17	118.7°	119.7°
C1	C17	C16	121.1°	119.2°
C1	C17	H5	119.4°	120.4°
C5	C4	C16	117.8°	118.6°
C4	C5	N1	124.1°	120.3°
C4	C5	H1	118.0°	119.8°
C4	C16	C17	118.6°	119.8°
C4	C16	C7	118.2°	118.2°
C5	N1	C6	117.4°	122.9°
N1	C5	H1	118.0°	119.9°
C17	C16	C7	122.9°	122.0°
C16	C17	H5	119.4°	120.4°
C16	C7	C6	116.9°	118.4°
C16	C7	N2	115.3°	120.8°
N1	C6	C7	125.5°	121.5°
N1	C6	H2	117.3°	119.3°
C6	C7	N2	125.6°	120.8°
C7	C6	H2	117.2°	119.2°
C7	N2	C8	129.3°	120.0°
C7	N2	H10	115.4°	120.0°
N2	C8	C9	114.6°	120.0°
N2	C8	O1	123.2°	120.0°
C8	N2	H10	115.4°	120.1°
C9	C8	O1	122.1°	120.0°
C8	C9	C10	111.3°	109.4°
C8	C9	H8	109.0°	109.5°
C8	C9	H9	109.0°	109.5°
C9	C10	C15	120.0°	120.0°
C9	C10	C11	120.9°	120.0°
C10	C9	H8	109.0°	109.4°
C10	C9	H9	109.0°	109.5°
C15	C10	C11	118.9°	120.0°
C10	C15	C14	119.7°	120.0°
C10	C15	H4	120.2°	120.0°
C10	C11	C12	120.8°	120.0°
C10	C11	H7	119.6°	119.9°
C15	C14	CL	118.8°	120.0°
C15	C14	C13	121.8°	120.0°
C14	C15	H4	120.1°	120.0°
C11	C12	C13	120.2°	120.0°
C11	C12	H6	119.9°	120.0°
C12	C11	H7	119.6°	120.0°
CL	C14	C13	119.4°	120.0°
C14	C13	C12	118.6°	120.0°
C14	C13	H3	120.7°	120.0°
C12	C13	H3	120.7°	120.0°
C13	C12	H6	119.9°	120.0°
H8	C9	H9	109.5°	109.5°
H13	N	H14	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C	C1	C2	13.5°	0.0°
N	C	C1	O	176.8°	179.9°
N	C	C1	C17	160.8°	180.0°
C	N	H13	H14	180.0°	180.0°
C3	C2	C1	H12	180.0°	179.9°
C2	C3	C4	H11	180.0°	180.0°
C3	C2	C1	C	171.8°	180.0°
C3	C2	C1	C17	2.4°	0.0°
C2	C3	C4	C5	176.7°	180.0°
C2	C3	C4	C16	0.9°	0.0°
C1	C2	C3	C4	1.2°	0.0°
C2	C1	C	C17	174.3°	180.0°
C2	C1	C	O	169.7°	179.9°
C2	C1	C17	C16	1.6°	0.0°
C2	C1	C17	H5	178.4°	180.0°
C1	C2	C3	H11	178.8°	180.0°
C3	C4	C5	C16	175.8°	180.0°
C3	C4	C5	N1	173.4°	180.0°
C3	C4	C16	C17	1.7°	0.1°
C3	C4	C16	C7	172.9°	179.9°
C3	C4	C5	H1	6.7°	0.1°
C4	C3	C2	H12	178.8°	180.0°
C	C1	C17	C16	172.8°	180.0°
C	C1	C17	H5	7.2°	0.0°
C	C1	C2	H12	8.2°	0.0°
C1	C	N	H13	176.7°	0.1°
C1	C	N	H14	3.3°	180.0°
O	C	C1	C17	16.0°	0.1°
O	C	N	H13	0.0°	180.0°
O	C	N	H14	180.0°	0.1°
C1	C17	C16	C4	0.5°	0.1°
C1	C17	C16	H5	180.0°	180.0°
C1	C17	C16	C7	173.8°	179.9°
C17	C1	C2	H12	177.5°	180.0°
C4	C5	N1	H1	180.0°	179.9°
C5	C4	C16	C17	177.7°	180.0°
C5	C4	C16	C7	3.2°	0.1°
C4	C5	N1	C6	0.1°	0.1°
C5	C4	C3	H11	3.3°	0.0°
C16	C4	C5	N1	2.4°	0.1°
C4	C16	C17	C7	174.3°	179.9°
C4	C16	C7	C6	1.6°	0.1°
C4	C16	C7	N2	162.9°	180.0°
C16	C4	C5	H1	177.5°	180.0°
C4	C16	C17	H5	179.5°	180.0°
C16	C4	C3	H11	179.1°	180.0°
C5	N1	C6	C7	1.9°	0.1°
C5	N1	C6	H2	178.1°	180.0°
C17	C16	C7	C6	175.9°	180.0°
C17	C16	C7	N2	11.5°	0.1°
C16	C7	C6	N1	1.1°	0.1°
C16	C7	C6	N2	162.6°	179.9°
C16	C7	N2	C8	131.0°	155.2°
C16	C7	C6	H2	179.0°	179.9°
C7	C16	C17	H5	6.2°	0.1°
C16	C7	N2	H10	49.0°	24.6°
N1	C6	C7	H2	180.0°	180.0°
N1	C6	C7	N2	163.7°	180.0°
C6	N1	C5	H1	180.0°	180.0°
C6	C7	N2	C8	31.9°	24.9°
C6	C7	N2	H10	148.1°	155.2°
C7	N2	C8	H10	180.0°	179.9°
C7	N2	C8	C9	150.5°	174.5°
C7	N2	C8	O1	33.2°	5.5°
N2	C7	C6	H2	16.4°	0.0°
N2	C8	C9	O1	176.3°	180.0°
N2	C8	C9	C10	175.7°	180.0°
N2	C8	C9	H8	55.4°	60.1°
N2	C8	C9	H9	64.1°	60.0°
C8	C9	C10	H8	120.3°	120.0°
C8	C9	C10	H9	120.3°	120.0°
C8	C9	C10	C15	92.8°	90.0°
C8	C9	C10	C11	81.6°	90.3°
C8	C9	H8	H9	119.2°	120.1°
C9	C8	N2	H10	29.4°	5.6°
O1	C8	C9	C10	0.7°	0.0°
O1	C8	C9	H8	121.0°	119.9°
O1	C8	C9	H9	119.6°	120.0°
O1	C8	N2	H10	146.8°	174.4°
C9	C10	C15	C11	174.5°	179.7°
C9	C10	C15	C14	171.6°	179.7°
C9	C10	C11	C12	172.4°	179.7°
C9	C10	C15	H4	8.4°	0.3°
C9	C10	C11	H7	7.6°	0.3°
C10	C9	H8	H9	119.2°	120.0°
C10	C15	C14	H4	180.0°	180.0°
C15	C10	C11	C12	2.1°	0.0°
C10	C15	C14	CL	176.6°	180.0°
C10	C15	C14	C13	1.6°	0.0°
C15	C10	C11	H7	177.9°	180.0°
C15	C10	C9	H8	146.9°	30.0°
C15	C10	C9	H9	27.4°	150.0°
C11	C10	C15	C14	2.9°	0.0°
C10	C11	C12	H7	180.0°	180.0°
C10	C11	C12	C13	0.2°	0.0°
C11	C10	C15	H4	177.1°	180.0°
C10	C11	C12	H6	179.8°	180.0°
C11	C10	C9	H8	38.7°	149.7°
C11	C10	C9	H9	158.1°	29.7°
C15	C14	CL	C13	178.3°	180.0°
C15	C14	C13	C12	0.7°	0.0°
C15	C14	C13	H3	179.3°	180.0°
C11	C12	C13	C14	1.6°	0.1°
C11	C12	C13	H6	180.0°	179.9°
C11	C12	C13	H3	178.4°	180.0°
CL	C14	C13	C12	178.9°	179.9°
CL	C14	C13	H3	1.1°	0.0°
CL	C14	C15	H4	3.4°	0.0°
C14	C13	C12	H3	180.0°	180.0°
C13	C14	C15	H4	178.4°	180.0°
C14	C13	C12	H6	178.4°	180.0°
C13	C12	C11	H7	179.8°	180.0°
H3	C13	C12	H6	1.6°	0.0°
H6	C12	C11	H7	0.2°	0.0°
H11	C3	C2	H12	1.2°	0.0°

Release date:	2023-11-08
Definition date:	2023-08-22
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	7GMT