HL4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.51Å	1.49Å
C1	C5	sing	1.54Å	1.53Å
C1	N7	sing	1.47Å	1.45Å
C2	O6	doub	1.21Å	1.22Å
C2	OAP	sing	1.34Å	1.45Å
C4	C5	sing	1.55Å	1.54Å
C4	OAP	sing	1.46Å	1.43Å
N7	C8	sing	1.35Å	1.33Å
C8	O9	doub	1.21Å	1.22Å
C8	C10	sing	1.51Å	1.51Å
C10	C11	sing	1.53Å	1.52Å
C11	C13	sing	1.53Å	1.52Å
C1	H1	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C4	H4A	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
N7	HN7	sing	0.97Å	1.00Å
C10	H10	sing	1.09Å	1.10Å
C10	H10A	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C11	H11A	sing	1.09Å	1.10Å
C13	H13	sing	1.09Å	1.10Å
C13	H13A	sing	1.09Å	1.10Å
C13	H13B	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C5	101.4°	104.8°
C2	C1	N7	115.2°	110.3°
C1	C2	O6	124.9°	125.1°
C1	C2	OAP	111.2°	109.8°
C2	C1	H1	112.2°	110.3°
C5	C1	N7	112.2°	110.4°
C1	C5	C4	107.5°	102.2°
C5	C1	H1	115.1°	110.4°
C1	C5	H5	110.2°	110.9°
C1	C5	H5A	110.1°	110.9°
C1	N7	C8	118.9°	120.0°
N7	C1	H1	101.3°	110.4°
C1	N7	HN7	120.6°	120.0°
O6	C2	OAP	123.9°	125.1°
C2	OAP	C4	109.8°	109.9°
C5	C4	OAP	104.9°	104.4°
C5	C4	H4	111.0°	110.5°
C5	C4	H4A	111.0°	110.5°
C4	C5	H5	110.1°	110.8°
C4	C5	H5A	110.1°	110.8°
OAP	C4	H4	111.0°	110.5°
OAP	C4	H4A	111.0°	110.4°
N7	C8	O9	122.5°	120.0°
N7	C8	C10	117.5°	120.0°
C8	N7	HN7	120.6°	120.0°
O9	C8	C10	120.0°	120.0°
C8	C10	C11	108.3°	109.5°
C8	C10	H10	109.9°	109.5°
C8	C10	H10A	109.9°	109.4°
C10	C11	C13	112.4°	109.5°
C11	C10	H10	109.9°	109.5°
C11	C10	H10A	109.9°	109.5°
C10	C11	H11	108.5°	109.5°
C10	C11	H11A	108.5°	109.5°
C13	C11	H11	108.5°	109.4°
C13	C11	H11A	108.5°	109.5°
C11	C13	H13	109.5°	109.4°
C11	C13	H13A	109.5°	109.5°
C11	C13	H13B	109.4°	109.5°
H4	C4	H4A	107.9°	110.4°
H5	C5	H5A	108.8°	110.9°
H10	C10	H10A	109.1°	109.5°
H11	C11	H11A	110.4°	109.4°
H13	C13	H13A	109.5°	109.4°
H13	C13	H13B	109.5°	109.5°
H13A	C13	H13B	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C5	N7	123.4°	118.8°
C2	C1	C5	H1	121.4°	118.8°
C2	C1	N7	H1	121.3°	122.2°
C1	C2	O6	OAP	179.2°	179.9°
C2	C1	C5	C4	22.2°	15.3°
C1	C2	OAP	C4	3.3°	20.8°
C2	C1	N7	C8	158.8°	86.4°
C2	C1	C5	H5	142.2°	102.8°
C2	C1	C5	H5A	97.8°	133.5°
C2	C1	N7	HN7	21.3°	93.6°
C5	C1	N7	H1	123.3°	122.4°
C5	C1	C2	O6	163.3°	177.7°
C5	C1	C2	OAP	16.0°	2.3°
C1	C5	C4	H5	120.0°	118.2°
C1	C5	C4	H5A	120.0°	118.2°
C1	C5	C4	OAP	21.3°	26.8°
C5	C1	N7	C8	85.9°	158.1°
C1	C5	C4	H4	98.7°	145.6°
C1	C5	C4	H4A	141.3°	91.9°
C1	C5	H5	H5A	120.8°	123.7°
C5	C1	N7	HN7	94.1°	21.9°
N7	C1	C2	O6	41.9°	58.9°
N7	C1	C2	OAP	137.4°	121.2°
N7	C1	C5	C4	145.7°	103.5°
C1	N7	C8	HN7	180.0°	180.0°
C1	N7	C8	O9	5.8°	0.0°
C1	N7	C8	C10	174.3°	180.0°
N7	C1	C5	H5	94.3°	138.4°
N7	C1	C5	H5A	25.7°	14.6°
O6	C2	OAP	C4	176.0°	159.2°
O6	C2	C1	H1	73.4°	63.4°
C2	OAP	C4	C5	11.1°	30.6°
OAP	C2	C1	H1	107.4°	116.5°
C2	OAP	C4	H4	108.9°	149.4°
C2	OAP	C4	H4A	131.1°	88.1°
C5	C4	OAP	H4	120.0°	118.8°
C5	C4	OAP	H4A	120.0°	118.8°
C4	C5	C1	H1	99.1°	134.2°
C5	C4	H4	H4A	121.9°	122.5°
C4	C5	H5	H5A	120.8°	123.5°
OAP	C4	H4	H4A	121.8°	122.5°
OAP	C4	C5	H5	141.3°	91.4°
OAP	C4	C5	H5A	98.7°	145.0°
N7	C8	O9	C10	179.8°	180.0°
N7	C8	C10	C11	167.3°	180.0°
C8	N7	C1	H1	37.4°	35.8°
N7	C8	C10	H10	72.7°	60.0°
N7	C8	C10	H10A	47.3°	60.0°
O9	C8	C10	C11	12.8°	0.0°
O9	C8	N7	HN7	174.2°	180.0°
O9	C8	C10	H10	107.2°	120.0°
O9	C8	C10	H10A	132.8°	120.0°
C8	C10	C11	H10	120.0°	120.0°
C8	C10	C11	H10A	120.0°	120.0°
C8	C10	C11	C13	69.7°	179.9°
C10	C8	N7	HN7	5.7°	0.0°
C8	C10	H10	H10A	120.5°	120.0°
C8	C10	C11	H11	50.3°	60.0°
C8	C10	C11	H11A	170.3°	60.0°
C10	C11	C13	H11	120.0°	120.0°
C10	C11	C13	H11A	120.0°	120.1°
C11	C10	H10	H10A	120.5°	120.0°
C10	C11	H11	H11A	118.8°	120.0°
C10	C11	C13	H13	180.0°	60.0°
C10	C11	C13	H13A	60.0°	60.0°
C10	C11	C13	H13B	60.0°	180.0°
C13	C11	C10	H10	170.3°	60.0°
C13	C11	C10	H10A	50.3°	60.0°
C13	C11	H11	H11A	118.8°	120.0°
C11	C13	H13	H13A	120.0°	120.0°
C11	C13	H13	H13B	120.0°	120.0°
C11	C13	H13A	H13B	120.0°	120.1°
H1	C1	C5	H5	20.9°	16.0°
H1	C1	C5	H5A	140.9°	107.7°
H1	C1	N7	HN7	142.6°	144.2°
H4	C4	C5	H5	21.3°	27.4°
H4	C4	C5	H5A	141.3°	96.2°
H4A	C4	C5	H5	98.7°	149.9°
H4A	C4	C5	H5A	21.3°	26.3°
H10	C10	C11	H11	69.7°	180.0°
H10	C10	C11	H11A	50.3°	60.0°
H10A	C10	C11	H11	170.3°	60.0°
H10A	C10	C11	H11A	69.7°	180.0°
H11	C11	C13	H13	60.0°	NaN°
H11	C11	C13	H13A	180.0°	60.0°
H11	C11	C13	H13B	60.0°	60.0°
H11A	C11	C13	H13	60.0°	60.1°
H11A	C11	C13	H13A	60.0°	180.0°
H11A	C11	C13	H13B	180.0°	59.9°
H13	C13	H13A	H13B	120.0°	119.9°

Definition date:	2010-09-06
Last modified:	2020-06-17
Release status:	REL
Processing site:	PDBJ
Derived from:	3OJG