HLC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C4	sing	1.46Å	1.43Å
N1	C5	sing	1.35Å	1.30Å
N1	H1	sing	0.97Å	1.00Å
C1	O1	doub	1.21Å	1.22Å
C1	O2	sing	1.34Å	1.43Å
C1	C4	sing	1.51Å	1.57Å
C2	O2	sing	1.45Å	1.40Å
C2	C3	sing	1.55Å	1.54Å
C2	H2	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C3	C4	sing	1.55Å	1.54Å
C3	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
O3	C8	sing	1.43Å	1.41Å
O3	C9	sing	1.36Å	1.35Å
C4	H6	sing	1.09Å	1.10Å
O4	C5	doub	1.21Å	1.20Å
C5	C6	sing	1.51Å	1.50Å
C6	C7	sing	1.53Å	1.49Å
C6	H7	sing	1.09Å	1.10Å
C6	H8	sing	1.09Å	1.10Å
C7	C8	sing	1.53Å	1.50Å
C7	H9	sing	1.09Å	1.10Å
C7	H10	sing	1.09Å	1.10Å
C8	H11	sing	1.09Å	1.10Å
C8	H12	sing	1.09Å	1.10Å
C9	C10	doub	1.39Å	1.38Å	Aromatic
C9	C14	sing	1.39Å	1.38Å	Aromatic
C10	C11	sing	1.38Å	1.38Å	Aromatic
C10	H13	sing	1.08Å	1.08Å
C11	C12	doub	1.38Å	1.38Å	Aromatic
C11	H14	sing	1.08Å	1.08Å
C12	C13	sing	1.38Å	1.38Å	Aromatic
C12	CL1	sing	1.74Å	1.77Å
C13	C14	doub	1.38Å	1.38Å	Aromatic
C13	H15	sing	1.08Å	1.08Å
C14	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	N1	C5	117.6°	120.0°
C4	N1	H1	121.2°	120.0°
N1	C4	C1	101.5°	110.6°
N1	C4	C3	115.2°	110.5°
N1	C4	H6	107.1°	110.5°
C5	N1	H1	121.2°	120.0°
N1	C5	O4	121.3°	120.0°
N1	C5	C6	116.8°	120.1°
O1	C1	O2	111.1°	125.0°
O1	C1	C4	132.7°	124.9°
O2	C1	C4	116.2°	110.1°
C1	O2	C2	107.3°	111.7°
C1	C4	C3	93.4°	103.9°
C1	C4	H6	125.5°	110.5°
O2	C2	C3	106.6°	105.6°
O2	C2	H2	110.4°	110.3°
O2	C2	H3	110.4°	110.2°
C3	C2	H2	110.4°	110.3°
C3	C2	H3	110.5°	110.1°
C2	C3	C4	112.2°	101.6°
C2	C3	H4	108.6°	111.0°
C2	C3	H5	108.6°	111.0°
H2	C2	H3	108.5°	110.2°
C4	C3	H4	108.6°	111.0°
C4	C3	H5	108.6°	111.0°
C3	C4	H6	113.8°	110.6°
H4	C3	H5	110.3°	110.8°
C8	O3	C9	128.8°	117.0°
O3	C8	C7	103.9°	109.4°
O3	C8	H11	111.4°	109.4°
O3	C8	H12	111.4°	109.5°
O3	C9	C10	120.9°	120.0°
O3	C9	C14	119.8°	120.0°
O4	C5	C6	121.8°	120.0°
C5	C6	C7	111.8°	109.5°
C5	C6	H7	108.7°	109.5°
C5	C6	H8	108.7°	109.5°
C7	C6	H7	108.7°	109.5°
C7	C6	H8	108.7°	109.5°
C6	C7	C8	114.3°	109.5°
C6	C7	H9	107.9°	109.5°
C6	C7	H10	107.9°	109.4°
H7	C6	H8	110.3°	109.4°
C8	C7	H9	107.9°	109.5°
C8	C7	H10	107.9°	109.5°
C7	C8	H11	111.4°	109.5°
C7	C8	H12	111.4°	109.5°
H9	C7	H10	111.0°	109.5°
H11	C8	H12	107.5°	109.5°
C10	C9	C14	119.1°	120.0°
C9	C10	C11	119.7°	119.9°
C9	C10	H13	120.1°	120.1°
C9	C14	C13	121.4°	120.0°
C9	C14	H16	119.3°	120.1°
C11	C10	H13	120.2°	120.0°
C10	C11	C12	120.7°	120.0°
C10	C11	H14	119.6°	120.0°
C12	C11	H14	119.6°	120.0°
C11	C12	C13	119.9°	120.1°
C11	C12	CL1	120.1°	120.0°
C13	C12	CL1	120.0°	120.0°
C12	C13	C14	119.2°	120.0°
C12	C13	H15	120.4°	120.0°
C14	C13	H15	120.4°	120.0°
C13	C14	H16	119.3°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	N1	C5	H1	180.0°	179.7°
N1	C4	C1	O1	42.2°	45.3°
N1	C4	C1	O2	135.3°	134.9°
N1	C4	C1	C3	116.6°	118.6°
N1	C4	C1	H6	120.8°	122.7°
N1	C4	C3	C2	124.3°	143.3°
N1	C4	C3	H6	124.2°	122.7°
N1	C4	C3	H4	4.3°	25.2°
N1	C4	C3	H5	115.7°	98.6°
C4	N1	C5	O4	5.9°	0.0°
C4	N1	C5	C6	170.8°	180.0°
C5	N1	C4	C1	107.1°	86.4°
C5	N1	C4	C3	153.5°	159.1°
C5	N1	C4	H6	25.8°	36.3°
N1	C5	O4	C6	176.5°	180.0°
N1	C5	C6	C7	122.6°	180.0°
N1	C5	C6	H7	2.6°	60.0°
N1	C5	C6	H8	117.4°	59.9°
H1	N1	C4	C1	72.9°	93.2°
H1	N1	C4	C3	26.5°	21.3°
H1	N1	C4	H6	154.2°	144.1°
H1	N1	C5	O4	174.1°	179.7°
H1	N1	C5	C6	9.2°	0.3°
O1	C1	O2	C4	178.1°	179.8°
O1	C1	O2	C2	167.5°	179.5°
O1	C1	C4	C3	158.8°	164.0°
O1	C1	C4	H6	78.6°	77.3°
C1	O2	C2	C3	3.6°	16.9°
C1	O2	C2	H2	123.6°	136.1°
C1	O2	C2	H3	116.4°	102.0°
O2	C1	C4	C3	18.7°	16.3°
O2	C1	C4	H6	103.9°	102.4°
C4	C1	O2	C2	10.6°	0.3°
C1	C4	C3	C2	19.9°	24.6°
C1	C4	C3	H6	131.4°	118.6°
C1	C4	C3	H4	100.1°	93.5°
C1	C4	C3	H5	140.0°	142.7°
O2	C2	C3	H2	120.0°	119.2°
O2	C2	C3	H3	120.0°	119.0°
O2	C2	H2	H3	121.2°	121.9°
O2	C2	C3	C4	16.8°	25.3°
O2	C2	C3	H4	103.2°	92.8°
O2	C2	C3	H5	136.8°	143.4°
C3	C2	H2	H3	121.2°	121.8°
C2	C3	C4	H4	120.0°	118.1°
C2	C3	C4	H5	120.0°	118.1°
C2	C3	H4	H5	118.9°	123.9°
C2	C3	C4	H6	111.5°	94.0°
H2	C2	C3	C4	136.8°	144.5°
H2	C2	C3	H4	16.8°	26.4°
H2	C2	C3	H5	103.2°	97.4°
H3	C2	C3	C4	103.2°	93.7°
H3	C2	C3	H4	136.8°	148.2°
H3	C2	C3	H5	16.8°	24.4°
C4	C3	H4	H5	118.8°	123.9°
H4	C3	C4	H6	128.5°	147.9°
H5	C3	C4	H6	8.5°	24.1°
O3	C8	C7	C6	146.4°	180.0°
O3	C8	C7	H11	120.0°	119.9°
O3	C8	C7	H12	120.0°	120.0°
O3	C8	C7	H9	26.4°	60.0°
O3	C8	C7	H10	93.6°	60.1°
O3	C8	H11	H12	122.2°	120.0°
C8	O3	C9	C10	48.0°	180.0°
C8	O3	C9	C14	136.2°	0.2°
C9	O3	C8	C7	149.2°	180.0°
C9	O3	C8	H11	90.8°	60.1°
C9	O3	C8	H12	29.2°	60.0°
O3	C9	C10	C14	175.8°	179.7°
O3	C9	C10	C11	177.5°	180.0°
O3	C9	C10	H13	2.5°	0.0°
O3	C9	C14	C13	179.0°	179.7°
O3	C9	C14	H16	1.0°	0.1°
O4	C5	C6	C7	60.7°	0.0°
O4	C5	C6	H7	179.3°	120.0°
O4	C5	C6	H8	59.3°	120.1°
C5	C6	C7	H7	120.0°	120.0°
C5	C6	C7	H8	120.0°	120.0°
C5	C6	H7	H8	119.0°	119.9°
C5	C6	C7	C8	63.7°	180.0°
C5	C6	C7	H9	176.3°	60.0°
C5	C6	C7	H10	56.3°	60.0°
C7	C6	H7	H8	119.1°	120.0°
C6	C7	C8	H9	120.0°	120.0°
C6	C7	C8	H10	120.0°	119.9°
C6	C7	H9	H10	118.0°	119.9°
C6	C7	C8	H11	26.5°	60.1°
C6	C7	C8	H12	93.6°	60.0°
H7	C6	C7	C8	56.3°	59.9°
H7	C6	C7	H9	63.7°	180.0°
H7	C6	C7	H10	176.3°	60.0°
H8	C6	C7	C8	176.3°	60.0°
H8	C6	C7	H9	56.3°	60.0°
H8	C6	C7	H10	63.7°	180.0°
C8	C7	H9	H10	118.0°	120.0°
C7	C8	H11	H12	122.3°	120.1°
H9	C7	C8	H11	93.5°	60.0°
H9	C7	C8	H12	146.4°	179.9°
H10	C7	C8	H11	146.4°	180.0°
H10	C7	C8	H12	26.4°	59.9°
C9	C10	C11	H13	180.0°	180.0°
C9	C10	C11	C12	0.1°	0.0°
C9	C10	C11	H14	179.9°	180.0°
C10	C9	C14	C13	3.1°	0.5°
C10	C9	C14	H16	176.9°	179.8°
C14	C9	C10	C11	1.7°	0.3°
C14	C9	C10	H13	178.3°	179.8°
C9	C14	C13	C12	2.8°	0.5°
C9	C14	C13	H16	180.0°	179.7°
C9	C14	C13	H15	177.3°	179.7°
C10	C11	C12	H14	180.0°	179.9°
C10	C11	C12	C13	0.4°	0.0°
C10	C11	C12	CL1	179.6°	180.0°
H13	C10	C11	C12	179.9°	180.0°
H13	C10	C11	H14	0.1°	0.1°
C11	C12	C13	CL1	180.0°	180.0°
C11	C12	C13	C14	0.9°	0.3°
C11	C12	C13	H15	179.1°	180.0°
H14	C11	C12	C13	179.5°	180.0°
H14	C11	C12	CL1	0.4°	0.1°
C12	C13	C14	H15	180.0°	179.8°
C12	C13	C14	H16	177.2°	179.8°
CL1	C12	C13	C14	179.0°	179.8°
CL1	C12	C13	H15	0.9°	0.0°
H15	C13	C14	H16	2.7°	0.1°

Definition date:	2011-02-15
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3QP5