8RP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C12	O1	sing	1.43Å	1.42Å
O1	C8	sing	1.36Å	1.37Å
O2	C13	sing	1.43Å	1.42Å
O2	C7	sing	1.36Å	1.37Å
C8	C7	doub	1.39Å	1.41Å	Aromatic
C8	C9	sing	1.38Å	1.38Å	Aromatic
C7	C6	sing	1.38Å	1.38Å	Aromatic
C9	C10	doub	1.39Å	1.40Å	Aromatic
C6	C5	doub	1.39Å	1.40Å	Aromatic
C10	C5	sing	1.37Å	1.39Å	Aromatic
C10	C11	sing	1.51Å	1.51Å
C5	C4	sing	1.51Å	1.51Å
C11	N1	sing	1.47Å	1.46Å
C3	C4	sing	1.53Å	1.51Å
C3	N1	sing	1.47Å	1.46Å
N1	C2	sing	1.35Å	1.35Å
C2	C1	sing	1.51Å	1.50Å
C2	O3	doub	1.21Å	1.23Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.08Å	1.08Å
C13	H4	sing	1.09Å	1.10Å
C13	H5	sing	1.09Å	1.10Å
C13	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C1	H8	sing	1.09Å	1.10Å
C1	H9	sing	1.09Å	1.10Å
C3	H10	sing	1.09Å	1.10Å
C3	H11	sing	1.09Å	1.10Å
C9	H12	sing	1.08Å	1.08Å
C11	H13	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
C12	H15	sing	1.09Å	1.10Å
C12	H16	sing	1.09Å	1.10Å
C12	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	O1	C8	120.1°	117.0°
O1	C12	H15	109.5°	109.5°
O1	C12	H16	109.5°	109.5°
O1	C12	H17	109.5°	109.5°
O1	C8	C7	120.1°	120.2°
O1	C8	C9	120.8°	120.2°
C13	O2	C7	119.4°	117.0°
O2	C13	H4	109.5°	109.4°
O2	C13	H5	109.4°	109.4°
O2	C13	H6	109.5°	109.5°
O2	C7	C8	117.9°	120.2°
O2	C7	C6	122.0°	120.1°
C7	C8	C9	119.1°	119.6°
C8	C7	C6	120.1°	119.7°
C8	C9	C10	121.1°	120.3°
C8	C9	H12	119.4°	119.7°
C7	C6	C5	120.6°	120.6°
C7	C6	H3	119.7°	119.8°
C9	C10	C5	119.7°	120.2°
C9	C10	C11	117.7°	117.3°
C10	C9	H12	119.5°	119.9°
C6	C5	C10	119.4°	119.6°
C6	C5	C4	119.4°	117.5°
C5	C6	H3	119.7°	119.6°
C5	C10	C11	122.7°	122.5°
C10	C5	C4	121.2°	122.9°
C10	C11	N1	111.5°	109.7°
C10	C11	H13	109.0°	109.4°
C10	C11	H14	109.0°	109.4°
C5	C4	C3	110.7°	110.8°
C5	C4	H1	109.2°	109.2°
C5	C4	H2	109.1°	109.2°
C11	N1	C3	119.9°	117.3°
C11	N1	C2	118.3°	121.4°
N1	C11	H13	108.9°	109.5°
N1	C11	H14	108.9°	109.4°
C4	C3	N1	109.3°	107.9°
C3	C4	H1	109.1°	109.2°
C3	C4	H2	109.2°	109.2°
C4	C3	H10	109.5°	109.8°
C4	C3	H11	109.5°	109.7°
C3	N1	C2	121.8°	121.4°
N1	C3	H10	109.5°	109.8°
N1	C3	H11	109.5°	109.7°
N1	C2	C1	118.8°	120.0°
N1	C2	O3	120.1°	120.0°
C1	C2	O3	121.1°	120.0°
C2	C1	H7	109.5°	109.4°
C2	C1	H8	109.5°	109.5°
C2	C1	H9	109.5°	109.5°
H1	C4	H2	109.5°	109.2°
H4	C13	H5	109.5°	109.5°
H4	C13	H6	109.5°	109.5°
H5	C13	H6	109.5°	109.5°
H7	C1	H8	109.4°	109.5°
H7	C1	H9	109.5°	109.5°
H8	C1	H9	109.4°	109.4°
H10	C3	H11	109.4°	109.8°
H13	C11	H14	109.5°	109.4°
H15	C12	H16	109.4°	109.5°
H15	C12	H17	109.4°	109.4°
H16	C12	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	O1	C8	C7	175.0°	180.0°
C12	O1	C8	C9	4.5°	0.0°
O1	C12	H15	H16	120.0°	120.0°
O1	C12	H15	H17	120.0°	120.0°
O1	C12	H16	H17	120.0°	120.0°
O1	C8	C7	O2	0.1°	0.2°
O1	C8	C7	C9	179.5°	180.0°
O1	C8	C7	C6	179.2°	179.8°
O1	C8	C9	C10	179.7°	179.9°
O1	C8	C9	H12	0.3°	0.0°
C8	O1	C12	H15	180.0°	60.0°
C8	O1	C12	H16	60.0°	60.0°
C8	O1	C12	H17	60.0°	180.0°
C13	O2	C7	C8	174.6°	180.0°
C13	O2	C7	C6	4.5°	0.0°
O2	C13	H4	H5	120.0°	119.9°
O2	C13	H4	H6	120.0°	120.0°
O2	C13	H5	H6	120.0°	120.1°
O2	C7	C8	C6	179.1°	180.0°
O2	C7	C8	C9	179.4°	179.8°
O2	C7	C6	C5	179.8°	179.9°
O2	C7	C6	H3	0.3°	0.0°
C7	O2	C13	H4	180.0°	180.0°
C7	O2	C13	H5	60.0°	60.1°
C7	O2	C13	H6	60.0°	60.0°
C7	C8	C9	C10	0.2°	0.0°
C8	C7	C6	C5	0.7°	0.1°
C8	C7	C6	H3	179.3°	180.0°
C7	C8	C9	H12	179.8°	180.0°
C9	C8	C7	C6	0.2°	0.2°
C8	C9	C10	H12	180.0°	180.0°
C8	C9	C10	C5	0.2°	0.2°
C8	C9	C10	C11	179.8°	179.4°
C7	C6	C5	H3	180.0°	179.9°
C7	C6	C5	C10	0.7°	0.1°
C7	C6	C5	C4	179.7°	179.7°
C9	C10	C5	C6	0.2°	0.3°
C9	C10	C5	C11	180.0°	179.6°
C9	C10	C5	C4	179.9°	179.5°
C9	C10	C11	N1	179.5°	169.4°
C9	C10	C11	H13	60.2°	49.3°
C9	C10	C11	H14	59.2°	70.6°
C6	C5	C10	C4	179.7°	179.8°
C6	C5	C10	C11	179.8°	179.3°
C6	C5	C4	C3	154.3°	160.3°
C6	C5	C4	H1	85.5°	79.4°
C6	C5	C4	H2	34.1°	40.0°
C5	C10	C11	N1	0.5°	11.0°
C10	C5	C4	C3	26.0°	19.9°
C10	C5	C4	H1	94.1°	100.4°
C10	C5	C4	H2	146.2°	140.2°
C10	C5	C6	H3	179.3°	179.8°
C5	C10	C9	H12	179.8°	179.8°
C5	C10	C11	H13	119.8°	131.1°
C5	C10	C11	H14	120.8°	109.0°
C11	C10	C5	C4	0.1°	0.9°
C10	C11	N1	H13	120.3°	120.1°
C10	C11	N1	H14	120.3°	120.1°
C10	C11	N1	C3	30.3°	44.1°
C10	C11	N1	C2	150.6°	135.6°
C11	C10	C9	H12	0.2°	0.6°
C10	C11	H13	H14	119.1°	119.9°
C5	C4	C3	H1	120.2°	120.3°
C5	C4	C3	H2	120.2°	120.4°
C5	C4	C3	N1	50.8°	47.5°
C5	C4	H1	H2	119.4°	119.4°
C4	C5	C6	H3	0.3°	0.4°
C5	C4	C3	H10	170.8°	72.2°
C5	C4	C3	H11	69.1°	167.0°
C11	N1	C3	C4	56.8°	64.2°
C11	N1	C3	C2	179.1°	179.7°
C11	N1	C2	C1	1.5°	6.0°
C11	N1	C2	O3	178.6°	174.1°
C11	N1	C3	H10	176.8°	55.5°
C11	N1	C3	H11	63.2°	176.3°
N1	C11	H13	H14	119.0°	119.9°
C4	C3	N1	H10	120.0°	119.6°
C4	C3	N1	H11	120.0°	119.5°
C4	C3	N1	C2	124.1°	115.6°
C3	C4	H1	H2	119.4°	119.3°
C4	C3	H10	H11	120.1°	120.7°
C3	N1	C2	C1	179.4°	174.3°
C3	N1	C2	O3	0.5°	5.6°
N1	C3	C4	H1	69.4°	72.8°
N1	C3	C4	H2	171.0°	167.8°
N1	C3	H10	H11	120.1°	120.8°
C3	N1	C11	H13	90.1°	164.2°
C3	N1	C11	H14	150.6°	75.9°
N1	C2	C1	O3	179.9°	179.9°
N1	C2	C1	H7	179.9°	5.4°
N1	C2	C1	H8	60.1°	114.6°
N1	C2	C1	H9	59.9°	125.5°
C2	N1	C3	H10	4.1°	124.8°
C2	N1	C3	H11	115.9°	4.0°
C2	N1	C11	H13	89.0°	15.5°
C2	N1	C11	H14	30.3°	104.3°
C2	C1	H7	H8	120.0°	120.0°
C2	C1	H7	H9	120.0°	120.0°
C2	C1	H8	H9	120.0°	120.0°
O3	C2	C1	H7	0.0°	174.5°
O3	C2	C1	H8	120.0°	65.5°
O3	C2	C1	H9	120.0°	54.4°
H1	C4	C3	H10	50.6°	167.5°
H1	C4	C3	H11	170.7°	46.7°
H2	C4	C3	H10	69.0°	48.2°
H2	C4	C3	H11	51.1°	72.6°
H4	C13	H5	H6	120.0°	120.0°
H7	C1	H8	H9	119.9°	120.0°
H15	C12	H16	H17	120.0°	119.9°

Release date:	2017-03-15
Definition date:	2017-03-03
Last modified:	2017-03-10
Release status:	REL
Processing site:	RCSB
Derived from:	5POL