O36

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O16	C11	sing	1.34Å	1.40Å
O10	C8	doub	1.22Å	1.21Å
C27	C26	trip	1.17Å	1.19Å
C7	C6	sing	1.51Å	1.53Å
C11	C12	sing	1.50Å	1.53Å
C11	C9	doub	1.37Å	1.33Å
C8	C9	sing	1.47Å	1.52Å
C8	C1	sing	1.48Å	1.53Å
C12	C13	sing	1.53Å	1.53Å
C9	C15	sing	1.47Å	1.53Å
C26	C25	sing	1.47Å	1.53Å
O22	C21	doub	1.22Å	1.19Å
C6	C1	doub	1.39Å	1.39Å	Aromatic
C6	C5	sing	1.39Å	1.41Å	Aromatic
C1	C2	sing	1.40Å	1.38Å	Aromatic
C21	C5	sing	1.47Å	1.38Å
C21	N20	sing	1.35Å	1.33Å
C15	O17	doub	1.21Å	1.19Å
C15	C14	sing	1.51Å	1.53Å
C5	C4	doub	1.41Å	1.38Å	Aromatic
C13	C14	sing	1.53Å	1.52Å
C2	C3	doub	1.37Å	1.38Å	Aromatic
C25	N20	sing	1.47Å	1.46Å
N20	C19	sing	1.34Å	1.36Å
C4	C3	sing	1.39Å	1.40Å	Aromatic
C4	N18	sing	1.38Å	1.32Å
C19	N18	sing	1.34Å	1.35Å
C19	O23	doub	1.22Å	1.19Å
N18	C24	sing	1.46Å	1.45Å
C13	H1	sing	1.09Å	1.10Å
C13	H2	sing	1.09Å	1.10Å
C24	H3	sing	1.09Å	1.10Å
C24	H4	sing	1.09Å	1.10Å
C24	H5	sing	1.09Å	1.10Å
C2	H6	sing	1.08Å	1.08Å
C3	H7	sing	1.08Å	1.08Å
C7	H8	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
C7	H10	sing	1.09Å	1.10Å
C12	H13	sing	1.09Å	1.10Å
C12	H14	sing	1.09Å	1.10Å
C14	H15	sing	1.09Å	1.10Å
C14	H16	sing	1.09Å	1.10Å
C25	H17	sing	1.09Å	1.10Å
C25	H18	sing	1.09Å	1.10Å
C27	H19	sing	1.05Å	1.06Å
O16	H20	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O16	C11	C12	118.1°	118.7°
O16	C11	C9	120.6°	118.7°
C11	O16	H20	109.5°	117.0°
O10	C8	C9	120.1°	120.0°
O10	C8	C1	116.7°	120.0°
C27	C26	C25	177.6°	180.0°
C26	C27	H19	180.0°	179.9°
C7	C6	C1	114.9°	120.3°
C7	C6	C5	124.4°	120.4°
C6	C7	H8	109.5°	109.5°
C6	C7	H9	109.4°	109.4°
C6	C7	H10	109.5°	109.5°
C12	C11	C9	120.8°	122.6°
C11	C12	C13	110.7°	111.1°
C11	C12	H13	109.2°	109.1°
C11	C12	H14	109.2°	109.2°
C11	C9	C8	121.2°	120.0°
C11	C9	C15	119.0°	120.0°
C9	C8	C1	123.2°	120.0°
C8	C9	C15	119.7°	120.0°
C8	C1	C6	119.2°	120.0°
C8	C1	C2	119.8°	119.9°
C12	C13	C14	109.0°	109.2°
C12	C13	H1	109.6°	109.5°
C12	C13	H2	109.6°	109.5°
C13	C12	H13	109.2°	109.2°
C13	C12	H14	109.2°	109.2°
C9	C15	O17	121.5°	121.1°
C9	C15	C14	118.0°	117.7°
C26	C25	N20	111.3°	109.5°
C26	C25	H17	109.0°	109.5°
C26	C25	H18	109.0°	109.5°
O22	C21	C5	123.3°	120.9°
O22	C21	N20	115.9°	120.9°
C1	C6	C5	120.7°	119.3°
C6	C1	C2	121.0°	120.1°
C6	C5	C21	124.2°	121.7°
C6	C5	C4	117.5°	120.1°
C1	C2	C3	118.8°	120.6°
C1	C2	H6	120.6°	119.7°
C5	C21	N20	120.7°	118.2°
C21	C5	C4	118.2°	118.2°
C21	N20	C25	121.2°	119.4°
C21	N20	C19	119.7°	121.2°
O17	C15	C14	120.5°	121.2°
C15	C14	C13	109.1°	107.5°
C15	C14	H15	109.6°	109.8°
C15	C14	H16	109.6°	109.9°
C5	C4	C3	121.3°	119.8°
C5	C4	N18	120.3°	118.7°
C14	C13	H1	109.6°	109.5°
C14	C13	H2	109.6°	109.5°
C13	C14	H15	109.6°	109.9°
C13	C14	H16	109.6°	109.8°
C2	C3	C4	120.7°	120.1°
C3	C2	H6	120.6°	119.7°
C2	C3	H7	119.7°	119.9°
C25	N20	C19	119.2°	119.4°
N20	C25	H17	109.0°	109.5°
N20	C25	H18	109.0°	109.5°
N20	C19	N18	120.5°	122.9°
N20	C19	O23	119.9°	118.5°
C3	C4	N18	118.4°	121.4°
C4	C3	H7	119.7°	120.0°
C4	N18	C19	120.6°	120.7°
C4	N18	C24	120.4°	119.6°
N18	C19	O23	119.7°	118.6°
C19	N18	C24	119.0°	119.6°
N18	C24	H3	109.5°	109.5°
N18	C24	H4	109.5°	109.5°
N18	C24	H5	109.5°	109.5°
H1	C13	H2	109.5°	109.5°
H3	C24	H4	109.5°	109.4°
H3	C24	H5	109.4°	109.4°
H4	C24	H5	109.5°	109.4°
H8	C7	H9	109.5°	109.5°
H8	C7	H10	109.5°	109.5°
H9	C7	H10	109.5°	109.5°
H13	C12	H14	109.5°	109.1°
H15	C14	H16	109.5°	109.9°
H17	C25	H18	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O16	C11	C12	C9	171.6°	180.0°
O16	C11	C9	C8	7.2°	0.6°
O16	C11	C12	C13	153.2°	158.0°
O16	C11	C9	C15	168.4°	179.5°
O16	C11	C12	H13	86.6°	37.6°
O16	C11	C12	H14	33.0°	81.6°
O10	C8	C9	C11	10.3°	66.1°
O10	C8	C9	C1	179.2°	179.9°
O10	C8	C9	C15	165.2°	114.0°
O10	C8	C1	C6	85.1°	5.3°
O10	C8	C1	C2	92.3°	174.8°
C27	C26	C25	N20	67.6°	27.9°
C27	C26	C25	H17	172.1°	147.9°
C27	C26	C25	H18	52.6°	92.1°
C7	C6	C1	C8	2.4°	0.1°
C7	C6	C1	C5	179.9°	179.9°
C7	C6	C1	C2	179.7°	180.0°
C7	C6	C5	C21	0.0°	0.0°
C7	C6	C5	C4	179.4°	180.0°
C6	C7	H8	H9	120.0°	119.9°
C6	C7	H8	H10	120.0°	120.0°
C6	C7	H9	H10	120.0°	120.0°
C12	C11	C9	C8	164.1°	179.4°
C11	C12	C13	H13	120.2°	120.4°
C11	C12	C13	H14	120.2°	120.4°
C12	C11	C9	C15	20.3°	0.5°
C11	C12	C13	C14	58.8°	53.4°
C11	C12	C13	H1	178.7°	173.3°
C11	C12	C13	H2	61.2°	66.5°
C11	C12	H13	H14	119.5°	119.2°
C12	C11	O16	H20	169.1°	178.8°
C11	C9	C8	C15	175.6°	179.9°
C11	C9	C8	C1	168.9°	113.8°
C9	C11	C12	C13	18.3°	22.0°
C11	C9	C15	O17	159.7°	168.2°
C11	C9	C15	C14	18.7°	11.8°
C9	C11	C12	H13	101.8°	142.4°
C9	C11	C12	H14	138.5°	98.4°
C9	C11	O16	H20	2.5°	1.2°
C9	C8	C1	C6	95.7°	174.8°
C9	C8	C1	C2	86.9°	5.1°
C8	C9	C15	O17	15.9°	11.9°
C8	C9	C15	C14	165.6°	168.2°
C1	C8	C9	C15	15.6°	66.1°
C8	C1	C6	C2	177.4°	179.9°
C8	C1	C6	C5	177.7°	180.0°
C8	C1	C2	C3	177.2°	180.0°
C8	C1	C2	H6	2.8°	0.0°
C12	C13	C14	C15	58.8°	63.2°
C12	C13	C14	H1	119.9°	119.9°
C12	C13	C14	H2	119.9°	119.9°
C12	C13	H1	H2	120.2°	120.1°
C13	C12	H13	H14	119.4°	119.2°
C12	C13	C14	H15	178.8°	56.2°
C12	C13	C14	H16	61.1°	177.3°
C9	C15	O17	C14	178.4°	179.9°
C9	C15	C14	C13	21.7°	42.7°
C9	C15	C14	H15	141.6°	76.8°
C9	C15	C14	H16	98.3°	162.2°
C26	C25	N20	C21	52.5°	90.0°
C26	C25	N20	H17	120.3°	120.0°
C26	C25	N20	H18	120.3°	120.0°
C26	C25	N20	C19	128.1°	90.0°
C26	C25	H17	H18	119.1°	120.0°
C25	C26	C27	H19	16.6°	176.4°
O22	C21	C5	C6	1.5°	0.2°
O22	C21	C5	N20	178.9°	179.7°
O22	C21	C5	C4	179.0°	179.7°
O22	C21	N20	C25	0.7°	0.2°
O22	C21	N20	C19	178.8°	179.7°
C1	C6	C5	C21	179.8°	180.0°
C1	C6	C5	C4	0.7°	0.1°
C6	C1	C2	C3	0.1°	0.1°
C6	C1	C2	H6	179.9°	179.9°
C1	C6	C7	H8	89.9°	86.3°
C1	C6	C7	H9	150.1°	153.7°
C1	C6	C7	H10	30.1°	33.7°
C5	C6	C1	C2	0.4°	0.1°
C6	C5	C21	C4	179.4°	179.9°
C6	C5	C21	N20	179.6°	179.9°
C6	C5	C4	C3	0.6°	0.1°
C6	C5	C4	N18	179.9°	180.0°
C5	C6	C7	H8	89.9°	93.6°
C5	C6	C7	H9	30.1°	26.4°
C5	C6	C7	H10	150.1°	146.4°
C1	C2	C3	H6	180.0°	180.0°
C1	C2	C3	C4	0.3°	0.0°
C1	C2	C3	H7	179.8°	180.0°
C5	C21	N20	C25	179.6°	180.0°
C5	C21	N20	C19	0.2°	0.0°
C21	C5	C4	C3	179.9°	180.0°
C21	C5	C4	N18	0.4°	0.1°
N20	C21	C5	C4	0.2°	0.0°
C21	N20	C25	C19	179.4°	179.9°
C21	N20	C19	N18	0.3°	0.0°
C21	N20	C19	O23	179.7°	179.9°
C21	N20	C25	H17	172.8°	30.0°
C21	N20	C25	H18	67.8°	150.0°
O17	C15	C14	C13	159.8°	137.3°
O17	C15	C14	H15	39.9°	103.2°
O17	C15	C14	H16	80.2°	17.8°
C15	C14	C13	H15	119.9°	119.5°
C15	C14	C13	H16	119.9°	119.5°
C15	C14	C13	H1	178.7°	176.8°
C15	C14	C13	H2	61.1°	56.7°
C15	C14	H15	H16	120.2°	121.0°
C5	C4	C3	C2	0.1°	0.0°
C5	C4	C3	N18	179.5°	179.9°
C5	C4	N18	C19	0.3°	0.1°
C5	C4	N18	C24	179.7°	180.0°
C5	C4	C3	H7	179.8°	180.0°
C14	C13	H1	H2	120.2°	120.1°
C14	C13	C12	H13	61.4°	173.8°
C14	C13	C12	H14	179.0°	67.0°
C13	C14	H15	H16	120.2°	121.0°
C2	C3	C4	H7	180.0°	180.0°
C2	C3	C4	N18	179.6°	180.0°
C25	N20	C19	N18	179.8°	180.0°
C25	N20	C19	O23	0.3°	0.1°
N20	C25	H17	H18	119.2°	120.0°
N20	C19	N18	C4	0.1°	0.1°
N20	C19	N18	O23	180.0°	179.9°
N20	C19	N18	C24	179.9°	180.0°
C19	N20	C25	H17	7.8°	149.9°
C19	N20	C25	H18	111.7°	29.9°
C3	C4	N18	C19	179.8°	180.0°
C3	C4	N18	C24	0.2°	0.0°
C4	C3	C2	H6	179.7°	180.0°
C4	N18	C19	C24	180.0°	180.0°
C4	N18	C19	O23	180.0°	180.0°
C4	N18	C24	H3	180.0°	90.0°
C4	N18	C24	H4	60.0°	150.0°
C4	N18	C24	H5	60.0°	30.0°
N18	C4	C3	H7	0.3°	0.0°
C19	N18	C24	H3	0.1°	90.0°
C19	N18	C24	H4	120.0°	30.0°
C19	N18	C24	H5	120.0°	150.0°
O23	C19	N18	C24	0.0°	0.1°
N18	C24	H3	H4	120.0°	120.0°
N18	C24	H3	H5	120.0°	120.0°
N18	C24	H4	H5	120.0°	120.0°
H1	C13	C12	H13	58.5°	66.3°
H1	C13	C12	H14	61.1°	52.9°
H1	C13	C14	H15	61.3°	63.7°
H1	C13	C14	H16	58.8°	57.3°
H2	C13	C12	H13	178.6°	53.9°
H2	C13	C12	H14	59.0°	173.1°
H2	C13	C14	H15	58.8°	176.2°
H2	C13	C14	H16	179.0°	62.8°
H3	C24	H4	H5	120.0°	119.9°
H6	C2	C3	H7	0.2°	0.0°
H8	C7	H9	H10	120.0°	120.1°

Release date:	2023-12-20
Definition date:	2023-01-20
Last modified:	2023-12-15
Release status:	REL
Processing site:	PDBJ
Derived from:	8HZ6