SM4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O24	C22	sing	0.00Å	1.26Å
O24	HO24	sing	0.00Å	0.95Å
C22	O23	doub	0.00Å	1.26Å
C22	C21	sing	0.00Å	1.48Å
C21	CAU	doub	0.00Å	1.34Å
C21	H21	sing	0.00Å	1.08Å
CAU	CAR	sing	0.00Å	1.49Å
CAU	HAU	sing	0.00Å	1.08Å
CAR	CAS	doub	0.00Å	1.40Å	Aromatic
CAR	CAQ	sing	0.00Å	1.40Å	Aromatic
CAQ	CAL	doub	0.00Å	1.41Å	Aromatic
CAQ	HAQ	sing	0.00Å	1.08Å
CAS	CAN	sing	0.00Å	1.40Å	Aromatic
CAS	HAS	sing	0.00Å	1.08Å
CAN	CAM	doub	0.00Å	1.39Å	Aromatic
CAN	HAN	sing	0.00Å	1.08Å
CAM	CAL	sing	0.00Å	1.39Å	Aromatic
CAM	HAM	sing	0.00Å	1.08Å
CAL	CAK	sing	0.00Å	1.48Å
CAK	B	sing	0.00Å	1.61Å
CAK	N	sing	0.00Å	1.46Å
CAK	HAK	sing	0.00Å	1.10Å
B	OAT	sing	0.00Å	1.54Å
B	OAO	sing	0.00Å	1.53Å
OAT	HOAT	sing	0.00Å	0.95Å
OAO	HOAO	sing	0.00Å	0.95Å
N	CAH	sing	0.00Å	1.34Å
N	HN	sing	0.00Å	1.00Å
CAH	OAI	doub	0.00Å	1.23Å
CAH	CAG	sing	0.00Å	1.51Å
CAG	CAE	sing	0.00Å	1.50Å
CAG	HAG1	sing	0.00Å	1.10Å
CAG	HAG2	sing	0.00Å	1.10Å
CAE	CAF	doub	0.00Å	1.39Å	Aromatic
CAE	SAD	sing	0.00Å	1.71Å	Aromatic
CAF	CAC	sing	0.00Å	1.39Å	Aromatic
CAF	HAF	sing	0.00Å	1.08Å
CAC	CAB	doub	0.00Å	1.39Å	Aromatic
CAC	HAC	sing	0.00Å	1.08Å
CAB	SAD	sing	0.00Å	1.74Å	Aromatic
CAB	HAB	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C22	O24	HO24	109.5°	90.0°
O24	C22	O23	121.5°	90.0°
O24	C22	C21	120.0°	90.0°
O23	C22	C21	118.6°	90.0°
C22	C21	CAU	123.7°	90.0°
C22	C21	H21	118.1°	90.0°
CAU	C21	H21	118.1°	90.0°
C21	CAU	CAR	120.9°	90.0°
C21	CAU	HAU	119.6°	90.0°
CAR	CAU	HAU	119.6°	90.0°
CAU	CAR	CAS	120.4°	90.0°
CAU	CAR	CAQ	121.1°	90.0°
CAS	CAR	CAQ	118.4°	90.0°
CAR	CAS	CAN	121.0°	90.0°
CAR	CAS	HAS	119.5°	90.0°
CAR	CAQ	CAL	120.4°	90.0°
CAR	CAQ	HAQ	119.8°	90.0°
CAL	CAQ	HAQ	119.8°	90.0°
CAQ	CAL	CAM	120.3°	90.0°
CAQ	CAL	CAK	120.7°	90.0°
CAN	CAS	HAS	119.5°	90.0°
CAS	CAN	CAM	120.3°	90.0°
CAS	CAN	HAN	119.8°	90.0°
CAM	CAN	HAN	119.8°	90.0°
CAN	CAM	CAL	119.5°	90.0°
CAN	CAM	HAM	120.3°	90.0°
CAL	CAM	HAM	120.2°	90.0°
CAM	CAL	CAK	119.0°	90.0°
CAL	CAK	B	108.4°	90.0°
CAL	CAK	N	106.2°	90.0°
CAL	CAK	HAK	113.1°	90.0°
B	CAK	N	111.6°	90.0°
B	CAK	HAK	107.8°	90.0°
CAK	B	OAT	116.9°	90.0°
CAK	B	OAO	115.7°	90.0°
N	CAK	HAK	109.9°	90.0°
CAK	N	CAH	123.2°	90.0°
CAK	N	HN	118.4°	90.0°
OAT	B	OAO	112.1°	90.0°
B	OAT	HOAT	109.5°	90.0°
B	OAO	HOAO	109.5°	90.0°
CAH	N	HN	118.4°	90.0°
N	CAH	OAI	126.1°	90.0°
N	CAH	CAG	114.2°	90.0°
OAI	CAH	CAG	119.7°	90.0°
CAH	CAG	CAE	103.6°	90.0°
CAH	CAG	HAG1	111.5°	90.0°
CAH	CAG	HAG2	112.7°	90.0°
CAE	CAG	HAG1	111.5°	90.0°
CAE	CAG	HAG2	112.7°	90.0°
CAG	CAE	CAF	134.5°	90.0°
CAG	CAE	SAD	115.4°	90.0°
HAG1	CAG	HAG2	105.0°	90.0°
CAF	CAE	SAD	110.1°	90.0°
CAE	CAF	CAC	112.6°	90.0°
CAE	CAF	HAF	123.7°	90.0°
CAE	SAD	CAB	94.1°	90.0°
CAC	CAF	HAF	123.7°	90.0°
CAF	CAC	CAB	115.6°	90.0°
CAF	CAC	HAC	122.2°	90.0°
CAB	CAC	HAC	122.2°	90.0°
CAC	CAB	SAD	107.6°	90.0°
CAC	CAB	HAB	126.2°	90.0°
SAD	CAB	HAB	126.2°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O24	C22	O23	C21	179.5°	90.0°
O24	C22	C21	CAU	38.9°	90.0°
O24	C22	C21	H21	141.1°	90.0°
HO24	O24	C22	O23	0.0°	90.0°
HO24	O24	C22	C21	179.5°	90.0°
O23	C22	C21	CAU	141.6°	90.0°
O23	C22	C21	H21	38.4°	90.0°
C22	C21	CAU	H21	180.0°	90.0°
C22	C21	CAU	CAR	178.3°	90.0°
C22	C21	CAU	HAU	1.7°	90.0°
C21	CAU	CAR	HAU	180.0°	90.0°
C21	CAU	CAR	CAS	0.1°	90.0°
C21	CAU	CAR	CAQ	179.7°	90.0°
H21	C21	CAU	CAR	1.7°	90.0°
H21	C21	CAU	HAU	178.3°	90.0°
CAU	CAR	CAS	CAQ	179.6°	90.0°
CAU	CAR	CAQ	CAL	180.0°	90.0°
CAU	CAR	CAQ	HAQ	0.0°	90.0°
CAU	CAR	CAS	CAN	179.9°	90.0°
CAU	CAR	CAS	HAS	0.1°	90.0°
HAU	CAU	CAR	CAS	180.0°	90.0°
HAU	CAU	CAR	CAQ	0.3°	90.0°
CAS	CAR	CAQ	CAL	0.4°	90.0°
CAS	CAR	CAQ	HAQ	179.7°	90.0°
CAR	CAS	CAN	HAS	180.0°	90.0°
CAR	CAS	CAN	CAM	0.2°	90.0°
CAR	CAS	CAN	HAN	179.8°	90.0°
CAR	CAQ	CAL	HAQ	180.0°	90.0°
CAQ	CAR	CAS	CAN	0.5°	90.0°
CAQ	CAR	CAS	HAS	179.5°	90.0°
CAR	CAQ	CAL	CAM	0.0°	90.0°
CAR	CAQ	CAL	CAK	179.9°	90.0°
CAQ	CAL	CAM	CAN	0.3°	90.0°
CAQ	CAL	CAM	CAK	179.9°	90.0°
CAQ	CAL	CAM	HAM	179.7°	90.0°
CAQ	CAL	CAK	B	67.1°	90.0°
CAQ	CAL	CAK	N	52.9°	90.0°
CAQ	CAL	CAK	HAK	173.5°	90.0°
HAQ	CAQ	CAL	CAM	180.0°	90.0°
HAQ	CAQ	CAL	CAK	0.1°	90.0°
CAS	CAN	CAM	HAN	180.0°	90.0°
CAS	CAN	CAM	CAL	0.2°	90.0°
CAS	CAN	CAM	HAM	179.8°	90.0°
HAS	CAS	CAN	CAM	179.8°	90.0°
HAS	CAS	CAN	HAN	0.2°	90.0°
CAN	CAM	CAL	HAM	180.0°	90.0°
CAN	CAM	CAL	CAK	179.8°	90.0°
HAN	CAN	CAM	CAL	179.8°	90.0°
HAN	CAN	CAM	HAM	0.2°	90.0°
CAM	CAL	CAK	B	112.8°	90.0°
CAM	CAL	CAK	N	127.2°	90.0°
CAM	CAL	CAK	HAK	6.6°	90.0°
HAM	CAM	CAL	CAK	0.2°	90.0°
CAL	CAK	B	N	116.5°	90.0°
CAL	CAK	B	HAK	122.7°	90.0°
CAL	CAK	N	HAK	122.6°	90.0°
CAL	CAK	B	OAT	48.4°	90.0°
CAL	CAK	B	OAO	87.0°	90.0°
CAL	CAK	N	CAH	71.0°	90.0°
CAL	CAK	N	HN	109.0°	90.0°
B	CAK	N	HAK	119.5°	90.0°
CAK	B	OAT	OAO	137.0°	90.0°
CAK	B	OAT	HOAT	11.5°	90.0°
CAK	B	OAO	HOAO	127.4°	90.0°
B	CAK	N	CAH	171.1°	90.0°
B	CAK	N	HN	8.9°	90.0°
N	CAK	B	OAT	165.0°	90.0°
N	CAK	B	OAO	29.5°	90.0°
CAK	N	CAH	HN	180.0°	90.0°
CAK	N	CAH	OAI	0.4°	90.0°
CAK	N	CAH	CAG	178.4°	90.0°
HAK	CAK	B	OAT	74.3°	90.0°
HAK	CAK	B	OAO	150.3°	90.0°
HAK	CAK	N	CAH	51.6°	90.0°
HAK	CAK	N	HN	128.4°	90.0°
OAT	B	OAO	HOAO	10.1°	90.0°
OAO	B	OAT	HOAT	148.5°	90.0°
N	CAH	OAI	CAG	177.8°	90.0°
N	CAH	CAG	CAE	98.1°	90.0°
N	CAH	CAG	HAG1	141.9°	90.0°
N	CAH	CAG	HAG2	24.1°	90.0°
HN	N	CAH	OAI	179.6°	90.0°
HN	N	CAH	CAG	1.6°	90.0°
OAI	CAH	CAG	CAE	80.0°	90.0°
OAI	CAH	CAG	HAG1	40.0°	90.0°
OAI	CAH	CAG	HAG2	157.9°	90.0°
CAH	CAG	CAE	HAG1	120.0°	90.0°
CAH	CAG	CAE	HAG2	122.2°	90.0°
CAH	CAG	HAG1	HAG2	122.4°	90.0°
CAH	CAG	CAE	CAF	41.6°	90.0°
CAH	CAG	CAE	SAD	136.9°	90.0°
CAE	CAG	HAG1	HAG2	122.4°	90.0°
CAG	CAE	CAF	SAD	178.6°	90.0°
CAG	CAE	CAF	CAC	179.4°	90.0°
CAG	CAE	CAF	HAF	0.6°	90.0°
CAG	CAE	SAD	CAB	179.4°	90.0°
HAG1	CAG	CAE	CAF	161.6°	90.0°
HAG1	CAG	CAE	SAD	16.9°	90.0°
HAG2	CAG	CAE	CAF	80.6°	90.0°
HAG2	CAG	CAE	SAD	100.9°	90.0°
CAE	CAF	CAC	HAF	180.0°	90.0°
CAE	CAF	CAC	CAB	0.8°	90.0°
CAE	CAF	CAC	HAC	179.3°	90.0°
CAF	CAE	SAD	CAB	0.5°	90.0°
SAD	CAE	CAF	CAC	0.8°	90.0°
SAD	CAE	CAF	HAF	179.2°	90.0°
CAE	SAD	CAB	CAC	0.1°	90.0°
CAE	SAD	CAB	HAB	179.9°	90.0°
CAF	CAC	CAB	HAC	180.0°	90.0°
CAF	CAC	CAB	SAD	0.3°	90.0°
CAF	CAC	CAB	HAB	179.7°	90.0°
HAF	CAF	CAC	CAB	179.2°	90.0°
HAF	CAF	CAC	HAC	0.7°	90.0°
CAC	CAB	SAD	HAB	180.0°	90.0°
HAC	CAC	CAB	SAD	179.7°	90.0°
HAC	CAC	CAB	HAB	0.3°	90.0°

Definition date:	2006-09-06
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB