A1H38

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C02	C01	sing	1.53Å	1.64Å
N01	C05	sing	1.48Å	1.45Å
C06	C05	sing	1.55Å	1.50Å
C05	C04	sing	1.56Å	1.35Å
O04	C04	sing	1.43Å	1.42Å
C04	C03	sing	1.55Å	1.36Å
O03	C03	sing	1.44Å	1.48Å
C03	C02	sing	1.54Å	1.47Å
O02	C02	sing	1.43Å	1.40Å
C01	N01	sing	1.47Å	1.61Å
C06	O03	sing	1.45Å	1.56Å
C01	H011	sing	1.09Å	1.10Å
C01	H012	sing	1.09Å	1.10Å
C02	H021	sing	1.09Å	1.10Å
C03	H031	sing	1.09Å	1.10Å
C04	H041	sing	1.09Å	1.10Å
C05	H051	sing	1.09Å	1.10Å
C06	H072	sing	1.09Å	1.10Å
C06	H071	sing	1.09Å	1.10Å
N01	H1	sing	1.01Å	1.00Å
O02	H101	sing	0.97Å	0.95Å
O04	H081	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C02	C03	113.0°	108.8°
C01	C02	O02	103.7°	109.5°
C02	C01	N01	109.9°	110.5°
C02	C01	H011	109.4°	109.2°
C02	C01	H012	109.4°	109.3°
C01	C02	H021	107.2°	109.6°
N01	C05	C06	106.4°	107.1°
N01	C05	C04	112.2°	106.2°
C05	N01	C01	115.7°	110.5°
N01	C05	H051	111.3°	114.0°
C05	N01	H1	107.9°	111.0°
C06	C05	C04	103.1°	101.7°
C05	C06	O03	101.1°	107.5°
C06	C05	H051	110.5°	113.4°
C05	C06	H072	111.5°	109.9°
C05	C06	H071	111.5°	109.9°
C05	C04	O04	107.3°	111.5°
C05	C04	C03	111.4°	99.5°
C05	C04	H041	108.7°	111.4°
C04	C05	H051	112.9°	113.4°
O04	C04	C03	113.0°	111.4°
O04	C04	H041	107.7°	111.2°
C04	O04	H081	109.5°	114.0°
C04	C03	O03	101.3°	105.0°
C04	C03	C02	113.1°	106.2°
C04	C03	H031	113.2°	112.7°
C03	C04	H041	108.6°	111.4°
O03	C03	C02	106.2°	107.1°
C03	O03	C06	105.1°	108.4°
O03	C03	H031	111.1°	112.7°
C03	C02	O02	113.1°	109.7°
C03	C02	H021	109.3°	109.6°
C02	C03	H031	111.3°	112.6°
O02	C02	H021	110.3°	109.6°
C02	O02	H101	109.5°	114.0°
N01	C01	H011	109.4°	109.3°
N01	C01	H012	109.4°	109.3°
C01	N01	H1	107.9°	111.0°
O03	C06	H072	111.5°	109.7°
O03	C06	H071	111.5°	109.8°
H011	C01	H012	109.5°	109.2°
H072	C06	H071	109.5°	110.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C02	C01	N01	C05	23.3°	56.4°
C01	C02	C03	C04	19.5°	63.8°
C01	C02	C03	O03	90.8°	47.9°
C01	C02	C03	O02	117.4°	119.8°
C01	C02	C03	H021	119.3°	119.8°
C01	C02	O02	H021	114.6°	120.3°
C02	C01	N01	H011	120.1°	120.2°
C02	C01	N01	H012	120.1°	120.3°
C02	C01	H011	H012	119.8°	119.5°
C01	C02	C03	H031	148.2°	172.3°
C02	C01	N01	H1	144.2°	67.3°
C01	C02	O02	H101	180.0°	60.0°
N01	C05	C06	C04	118.2°	111.2°
N01	C05	C06	H051	120.9°	126.6°
N01	C05	C04	H051	126.7°	125.9°
N01	C05	C04	O04	165.5°	168.5°
N01	C05	C04	C03	70.3°	73.9°
C05	N01	C01	H1	120.9°	123.7°
N01	C05	C06	O03	94.3°	87.8°
C05	N01	C01	H011	143.3°	63.9°
C05	N01	C01	H012	96.8°	176.7°
N01	C05	C04	H041	49.3°	43.6°
N01	C05	C06	H072	24.4°	31.6°
N01	C05	C06	H071	147.1°	152.8°
C06	C05	C04	H051	119.3°	122.2°
C06	C05	C04	O04	80.4°	79.6°
C06	C05	C04	C03	43.8°	38.0°
C05	C06	O03	C03	0.6°	2.6°
C06	C05	N01	C01	92.8°	39.8°
C05	C06	O03	H072	118.7°	119.5°
C05	C06	O03	H071	118.6°	119.5°
C06	C05	C04	H041	163.4°	155.5°
C05	C06	H072	H071	123.9°	121.2°
C06	C05	N01	H1	146.2°	163.5°
C05	C04	O04	C03	123.2°	110.1°
C05	C04	O04	H041	116.8°	125.0°
C05	C04	C03	H041	119.6°	117.6°
C05	C04	C03	O03	42.6°	41.3°
C05	C04	C03	C02	70.6°	71.9°
C04	C05	N01	C01	19.2°	68.3°
C04	C05	C06	O03	23.9°	23.5°
C05	C04	C03	H031	161.7°	164.3°
C04	C05	C06	H072	142.6°	142.8°
C04	C05	C06	H071	94.7°	96.0°
C04	C05	N01	H1	101.7°	55.3°
C05	C04	O04	H081	180.0°	69.9°
O04	C04	C03	H041	119.4°	124.8°
O04	C04	C03	O03	78.3°	76.3°
O04	C04	C03	C02	168.5°	170.5°
O04	C04	C03	H031	40.7°	46.6°
O04	C04	C05	H051	38.8°	42.6°
C04	C03	O03	C02	118.4°	112.6°
C04	C03	O03	H031	120.5°	123.1°
C04	C03	C02	H031	128.7°	123.9°
C04	C03	C02	O02	98.0°	56.0°
C04	C03	O03	C06	22.7°	28.0°
C04	C03	C02	H021	138.7°	176.3°
C03	C04	C05	H051	163.1°	160.2°
C03	C04	O04	H081	56.8°	180.0°
O03	C03	C02	H031	121.0°	124.4°
O03	C03	C02	O02	151.8°	167.7°
O03	C03	C02	H021	28.5°	71.9°
O03	C03	C04	H041	162.2°	158.9°
C03	O03	C06	H072	119.3°	116.9°
C03	O03	C06	H071	118.0°	122.1°
C03	C02	O02	H021	122.7°	120.4°
C03	C02	C01	N01	22.8°	53.7°
C02	C03	O03	C06	95.7°	84.6°
C03	C02	C01	H011	142.9°	66.5°
C03	C02	C01	H012	97.3°	174.0°
C02	C03	C04	H041	49.0°	45.7°
C03	C02	O02	H101	57.3°	179.3°
O02	C02	C01	N01	145.6°	66.2°
O02	C02	C01	H011	94.3°	173.6°
O02	C02	C01	H012	25.6°	54.1°
O02	C02	C03	H031	30.7°	67.9°
N01	C01	H011	H012	119.8°	119.5°
N01	C01	C02	H021	97.6°	173.6°
C01	N01	C05	H051	146.7°	166.1°
C06	O03	C03	H031	143.2°	151.1°
O03	C06	C05	H051	144.8°	145.6°
O03	C06	H072	H071	123.9°	120.9°
H011	C01	C02	H021	22.5°	53.3°
H011	C01	N01	H1	95.8°	172.5°
H012	C01	C02	H021	142.3°	66.1°
H012	C01	N01	H1	24.1°	53.0°
H021	C02	C03	H031	92.6°	52.5°
H021	C02	O02	H101	65.4°	60.3°
H031	C03	C04	H041	78.7°	78.2°
H041	C04	C05	H051	77.3°	82.3°
H041	C04	O04	H081	63.2°	55.1°
H051	C05	C06	H072	96.5°	95.0°
H051	C05	C06	H071	26.2°	26.2°
H051	C05	N01	H1	25.8°	70.3°

Release date:	2024-07-31
Definition date:	2024-02-13
Last modified:	2024-07-26
Release status:	REL
Processing site:	PDBE
Derived from:	8RZH