OJO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C10	sing	1.51Å	1.52Å
O1	C10	doub	1.21Å	1.22Å
C10	N1	sing	1.35Å	1.35Å
N1	C8	sing	1.47Å	1.47Å
N1	C7	sing	1.47Å	1.47Å
C8	C9	sing	1.53Å	1.52Å
C7	C6	sing	1.53Å	1.52Å
CL	C2	sing	1.74Å	1.74Å
C9	N	sing	1.47Å	1.47Å
C3	C2	doub	1.38Å	1.38Å	Aromatic
C3	C4	sing	1.38Å	1.39Å	Aromatic
C2	C1	sing	1.38Å	1.38Å	Aromatic
C6	N	sing	1.47Å	1.47Å
C5	N	sing	1.47Å	1.48Å
C5	C4	sing	1.51Å	1.51Å
C4	C12	doub	1.38Å	1.39Å	Aromatic
C1	C	doub	1.39Å	1.39Å	Aromatic
C12	C	sing	1.39Å	1.39Å	Aromatic
C	O	sing	1.36Å	1.36Å
C5	H1	sing	1.09Å	1.10Å
C5	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.09Å	1.10Å
C11	H10	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C9	H12	sing	1.09Å	1.10Å
C9	H13	sing	1.09Å	1.10Å
C3	H15	sing	1.08Å	1.08Å
C1	H16	sing	1.08Å	1.08Å
C12	H17	sing	1.08Å	1.08Å
O	H18	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C10	O1	120.5°	120.0°
C11	C10	N1	117.3°	120.0°
C10	C11	H9	109.5°	109.5°
C10	C11	H10	109.5°	109.5°
C10	C11	H11	109.5°	109.5°
O1	C10	N1	121.9°	119.9°
C10	N1	C8	123.3°	120.9°
C10	N1	C7	118.5°	120.9°
C8	N1	C7	117.1°	118.3°
N1	C8	C9	111.1°	108.5°
N1	C8	H7	109.1°	109.7°
N1	C8	H8	109.1°	109.6°
N1	C7	C6	111.5°	108.5°
N1	C7	H5	109.0°	109.6°
N1	C7	H6	109.0°	109.6°
C8	C9	N	110.9°	109.3°
C9	C8	H7	109.1°	109.6°
C9	C8	H8	109.0°	109.6°
C8	C9	H12	109.1°	109.5°
C8	C9	H13	109.1°	109.5°
C7	C6	N	110.9°	109.3°
C7	C6	H3	109.1°	109.5°
C7	C6	H4	109.1°	109.5°
C6	C7	H5	109.0°	109.6°
C6	C7	H6	109.0°	109.6°
CL	C2	C3	119.1°	120.0°
CL	C2	C1	118.8°	120.0°
C9	N	C6	108.9°	111.3°
C9	N	C5	112.4°	111.0°
N	C9	H12	109.1°	109.5°
N	C9	H13	109.1°	109.5°
C2	C3	C4	119.5°	120.1°
C3	C2	C1	121.9°	120.0°
C2	C3	H15	120.3°	119.9°
C3	C4	C5	120.8°	120.0°
C3	C4	C12	119.1°	120.0°
C4	C3	H15	120.2°	120.0°
C2	C1	C	118.3°	120.0°
C2	C1	H16	120.9°	120.0°
C6	N	C5	112.2°	111.0°
N	C6	H3	109.1°	109.5°
N	C6	H4	109.1°	109.5°
N	C5	C4	114.0°	109.5°
N	C5	H1	108.3°	109.5°
N	C5	H2	108.3°	109.5°
C5	C4	C12	120.1°	120.0°
C4	C5	H1	108.3°	109.5°
C4	C5	H2	108.3°	109.4°
C4	C12	C	120.4°	120.0°
C4	C12	H17	119.8°	119.9°
C1	C	C12	120.7°	119.9°
C1	C	O	120.5°	120.1°
C	C1	H16	120.9°	120.0°
C12	C	O	118.7°	120.0°
C	C12	H17	119.8°	120.0°
C	O	H18	109.5°	114.0°
H1	C5	H2	109.5°	109.5°
H3	C6	H4	109.5°	109.5°
H5	C7	H6	109.5°	109.8°
H7	C8	H8	109.5°	109.8°
H9	C11	H10	109.5°	109.5°
H9	C11	H11	109.4°	109.4°
H10	C11	H11	109.5°	109.5°
H12	C9	H13	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C10	O1	N1	173.2°	180.0°
C11	C10	N1	C8	17.0°	180.0°
C11	C10	N1	C7	150.5°	0.3°
C10	C11	H9	H10	120.0°	120.1°
C10	C11	H9	H11	120.0°	120.0°
C10	C11	H10	H11	120.0°	120.0°
O1	C10	N1	C8	169.6°	0.0°
O1	C10	N1	C7	22.9°	179.7°
O1	C10	C11	H9	0.0°	120.1°
O1	C10	C11	H10	120.0°	0.0°
O1	C10	C11	H11	120.0°	120.0°
C10	N1	C8	C7	167.6°	179.8°
C10	N1	C8	C9	148.3°	128.6°
C10	N1	C7	C6	148.1°	128.6°
C10	N1	C7	H5	27.8°	111.7°
C10	N1	C7	H6	91.7°	8.9°
C10	N1	C8	H7	91.4°	8.8°
C10	N1	C8	H8	28.0°	111.8°
N1	C10	C11	H9	173.5°	60.0°
N1	C10	C11	H10	66.5°	180.0°
N1	C10	C11	H11	53.5°	60.0°
N1	C8	C9	H7	120.3°	119.7°
N1	C8	C9	H8	120.3°	119.7°
C8	N1	C7	C6	43.7°	51.2°
N1	C8	C9	N	52.8°	53.8°
C8	N1	C7	H5	164.0°	68.5°
C8	N1	C7	H6	76.6°	170.9°
N1	C8	H7	H8	119.2°	120.5°
N1	C8	C9	H12	173.0°	66.2°
N1	C8	C9	H13	67.4°	173.8°
C7	N1	C8	C9	44.1°	51.2°
N1	C7	C6	H5	120.3°	119.7°
N1	C7	C6	H6	120.3°	119.7°
N1	C7	C6	N	51.9°	53.8°
N1	C7	C6	H3	68.3°	173.8°
N1	C7	C6	H4	172.1°	66.1°
N1	C7	H5	H6	119.1°	120.5°
C7	N1	C8	H7	76.2°	170.9°
C7	N1	C8	H8	164.3°	68.5°
C8	C9	N	H12	120.2°	120.0°
C8	C9	N	H13	120.2°	119.9°
C8	C9	N	C6	62.9°	63.1°
C8	C9	N	C5	62.0°	172.7°
C9	C8	H7	H8	119.2°	120.4°
C8	C9	H12	H13	119.3°	120.0°
C7	C6	N	C9	62.3°	63.1°
C7	C6	N	H3	120.2°	120.0°
C7	C6	N	H4	120.2°	120.0°
C7	C6	N	C5	62.7°	172.7°
C7	C6	H3	H4	119.4°	120.1°
C6	C7	H5	H6	119.1°	120.5°
CL	C2	C3	C1	175.4°	179.9°
CL	C2	C3	C4	173.3°	180.0°
CL	C2	C1	C	173.0°	180.0°
CL	C2	C3	H15	6.7°	0.0°
CL	C2	C1	H16	7.0°	0.1°
C9	N	C6	C5	125.0°	124.2°
C9	N	C5	C4	59.6°	65.7°
C9	N	C5	H1	179.8°	54.3°
C9	N	C5	H2	61.1°	174.3°
C9	N	C6	H3	57.9°	176.9°
C9	N	C6	H4	177.5°	56.9°
N	C9	C8	H7	67.5°	173.6°
N	C9	C8	H8	173.1°	65.9°
N	C9	H12	H13	119.3°	120.1°
C2	C3	C4	H15	180.0°	180.0°
C2	C3	C4	C5	178.2°	179.7°
C2	C3	C4	C12	0.2°	0.1°
C3	C2	C1	C	2.5°	0.1°
C3	C2	C1	H16	177.5°	180.0°
C4	C3	C2	C1	2.1°	0.1°
C3	C4	C5	N	132.9°	89.7°
C3	C4	C5	C12	178.4°	179.6°
C3	C4	C12	C	2.1°	0.0°
C3	C4	C5	H1	106.5°	30.3°
C3	C4	C5	H2	12.2°	150.3°
C3	C4	C12	H17	178.0°	179.7°
C2	C1	C	H16	180.0°	179.9°
C2	C1	C	C12	0.5°	0.1°
C2	C1	C	O	179.8°	179.9°
C1	C2	C3	H15	177.9°	179.9°
C6	N	C5	C4	177.3°	170.0°
C6	N	C5	H1	56.7°	70.0°
C6	N	C5	H2	62.0°	50.0°
N	C6	H3	H4	119.3°	120.0°
N	C6	C7	H5	172.2°	65.9°
N	C6	C7	H6	68.4°	173.5°
C6	N	C9	H12	176.9°	56.9°
C6	N	C9	H13	57.3°	177.0°
N	C5	C4	H1	120.7°	120.0°
N	C5	C4	H2	120.7°	120.0°
N	C5	C4	C12	45.5°	90.0°
N	C5	H1	H2	118.0°	120.0°
C5	N	C6	H3	177.1°	52.8°
C5	N	C6	H4	57.5°	67.3°
C5	N	C9	H12	58.2°	67.3°
C5	N	C9	H13	177.8°	52.8°
C5	C4	C12	C	176.4°	179.7°
C4	C5	H1	H2	117.9°	119.9°
C5	C4	C3	H15	1.8°	0.3°
C5	C4	C12	H17	3.6°	0.1°
C4	C12	C	C1	1.7°	0.0°
C4	C12	C	H17	180.0°	179.8°
C4	C12	C	O	178.0°	180.0°
C12	C4	C5	H1	75.1°	150.0°
C12	C4	C5	H2	166.2°	30.1°
C12	C4	C3	H15	179.8°	180.0°
C1	C	C12	O	179.7°	180.0°
C1	C	C12	H17	178.3°	179.7°
C1	C	O	H18	180.0°	89.9°
C12	C	C1	H16	179.5°	180.0°
C12	C	O	H18	0.3°	90.1°
O	C	C1	H16	0.2°	0.0°
O	C	C12	H17	2.0°	0.3°
H3	C6	C7	H5	52.0°	54.1°
H3	C6	C7	H6	171.4°	66.5°
H4	C6	C7	H5	67.6°	174.2°
H4	C6	C7	H6	51.8°	53.6°
H7	C8	C9	H12	52.8°	53.6°
H7	C8	C9	H13	172.3°	66.5°
H8	C8	C9	H12	66.7°	174.1°
H8	C8	C9	H13	52.8°	54.1°
H9	C11	H10	H11	120.0°	119.9°

Release date:	2023-11-08
Definition date:	2023-08-17
Last modified:	2023-11-03
Release status:	REL
Processing site:	RCSB
Derived from:	7GFV