F38

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
OAB	S	doub	1.42Å	1.44Å
OAD	S	doub	1.42Å	1.44Å
CAF	CAG	sing	1.38Å	1.40Å	Aromatic
CAF	C1	doub	1.38Å	1.39Å	Aromatic
CAG	CAH	doub	1.40Å	1.39Å	Aromatic
CAJ	CAI	doub	1.38Å	1.39Å	Aromatic
CAJ	C1	sing	1.38Å	1.39Å	Aromatic
CAI	CAH	sing	1.40Å	1.40Å	Aromatic
CAH	CAK	sing	1.48Å	1.50Å
CAK	N1	sing	1.37Å	1.35Å
CAK	N	doub	1.31Å	1.36Å
CAT	CAS	sing	1.40Å	1.39Å	Aromatic
CAT	CAO	doub	1.41Å	1.47Å	Aromatic
CAT	N	sing	1.35Å	1.36Å
CAS	CAR	doub	1.37Å	1.39Å	Aromatic
CAR	CAQ	sing	1.39Å	1.39Å	Aromatic
CAQ	CAP	doub	1.38Å	1.38Å	Aromatic
CAP	CAO	sing	1.39Å	1.38Å	Aromatic
CAO	CAM	sing	1.47Å	1.49Å
CAM	N1	sing	1.35Å	1.35Å
CAM	OAN	doub	1.22Å	1.26Å
N10	S	sing	1.66Å	1.59Å
S	C	sing	1.81Å	1.66Å
C	C1	sing	1.51Å	1.52Å
CAF	HAF	sing	1.08Å	1.08Å
CAG	HAG	sing	1.08Å	1.08Å
CAJ	HAJ	sing	1.08Å	1.08Å
CAI	HAI	sing	1.08Å	1.08Å
N1	H1	sing	0.97Å	1.00Å
CAS	HAS	sing	1.08Å	1.08Å
CAR	HAR	sing	1.08Å	1.08Å
CAQ	HAQ	sing	1.08Å	1.08Å
CAP	HAP	sing	1.08Å	1.08Å
N10	H101	sing	0.97Å	1.00Å
N10	H102	sing	0.97Å	1.00Å
C	HC1	sing	1.09Å	1.10Å
C	HC2	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
OAB	S	OAD	110.1°	121.1°
OAB	S	N10	109.1°	104.3°
OAB	S	C	110.6°	110.5°
OAD	S	N10	109.8°	104.3°
OAD	S	C	110.1°	110.5°
CAG	CAF	C1	120.4°	120.1°
CAF	CAG	CAH	120.8°	119.9°
CAG	CAF	HAF	119.8°	119.9°
CAF	CAG	HAG	119.6°	120.1°
CAF	C1	CAJ	119.0°	120.3°
CAF	C1	C	121.0°	119.9°
C1	CAF	HAF	119.8°	119.9°
CAG	CAH	CAI	118.4°	119.7°
CAG	CAH	CAK	121.7°	120.1°
CAH	CAG	HAG	119.6°	120.1°
CAI	CAJ	C1	120.4°	120.1°
CAJ	CAI	CAH	120.9°	119.9°
CAI	CAJ	HAJ	119.8°	119.9°
CAJ	CAI	HAI	119.5°	120.1°
CAJ	C1	C	120.0°	119.8°
C1	CAJ	HAJ	119.8°	120.0°
CAI	CAH	CAK	119.9°	120.2°
CAH	CAI	HAI	119.5°	120.1°
CAH	CAK	N1	119.7°	118.4°
CAH	CAK	N	118.7°	118.5°
N1	CAK	N	121.5°	123.1°
CAK	N1	CAM	123.6°	120.3°
CAK	N1	H1	118.2°	119.8°
CAK	N	CAT	121.2°	121.7°
CAS	CAT	CAO	118.8°	119.3°
CAS	CAT	N	121.5°	121.5°
CAT	CAS	CAR	119.0°	119.8°
CAT	CAS	HAS	120.5°	120.1°
CAO	CAT	N	119.7°	119.2°
CAT	CAO	CAP	120.0°	120.0°
CAT	CAO	CAM	116.2°	118.2°
CAS	CAR	CAQ	121.9°	121.0°
CAR	CAS	HAS	120.5°	120.1°
CAS	CAR	HAR	119.1°	119.5°
CAR	CAQ	CAP	121.0°	120.6°
CAQ	CAR	HAR	119.1°	119.5°
CAR	CAQ	HAQ	119.5°	119.7°
CAQ	CAP	CAO	119.2°	119.4°
CAP	CAQ	HAQ	119.5°	119.7°
CAQ	CAP	HAP	120.4°	120.3°
CAP	CAO	CAM	123.8°	121.9°
CAO	CAP	HAP	120.4°	120.3°
CAO	CAM	N1	117.8°	117.5°
CAO	CAM	OAN	120.8°	121.2°
N1	CAM	OAN	121.4°	121.3°
CAM	N1	H1	118.2°	119.8°
N10	S	C	107.1°	104.5°
S	N10	H101	109.5°	120.0°
S	N10	H102	109.5°	120.0°
S	C	C1	112.6°	109.5°
S	C	HC1	108.7°	109.5°
S	C	HC2	108.7°	109.5°
C1	C	HC1	108.7°	109.5°
C1	C	HC2	108.7°	109.5°
H101	N10	H102	109.5°	120.0°
HC1	C	HC2	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
OAB	S	OAD	N10	120.2°	116.7°
OAB	S	OAD	C	122.2°	131.5°
OAB	S	N10	C	119.7°	116.1°
OAB	S	C	C1	173.8°	68.4°
OAB	S	N10	H101	180.0°	124.0°
OAB	S	N10	H102	60.0°	56.1°
OAB	S	C	HC1	53.4°	51.7°
OAB	S	C	HC2	65.7°	171.6°
OAD	S	N10	C	119.5°	116.1°
OAD	S	C	C1	64.3°	68.4°
OAD	S	N10	H101	59.2°	3.9°
OAD	S	N10	H102	60.8°	176.0°
OAD	S	C	HC1	175.2°	171.6°
OAD	S	C	HC2	56.2°	51.6°
CAG	CAF	C1	HAF	180.0°	179.7°
CAF	CAG	CAH	HAG	180.0°	180.0°
CAG	CAF	C1	CAJ	0.6°	0.0°
CAF	CAG	CAH	CAI	1.4°	0.0°
CAF	CAG	CAH	CAK	179.4°	179.9°
CAG	CAF	C1	C	179.2°	180.0°
C1	CAF	CAG	CAH	1.1°	0.0°
CAF	C1	CAJ	CAI	0.4°	0.0°
CAF	C1	CAJ	C	178.6°	180.0°
CAF	C1	C	S	97.8°	90.0°
C1	CAF	CAG	HAG	178.9°	180.0°
CAF	C1	CAJ	HAJ	179.6°	179.9°
CAF	C1	C	HC1	22.7°	30.1°
CAF	C1	C	HC2	141.7°	150.0°
CAG	CAH	CAI	CAJ	1.3°	0.1°
CAG	CAH	CAI	CAK	178.0°	179.9°
CAG	CAH	CAK	N1	176.1°	180.0°
CAG	CAH	CAK	N	5.3°	0.2°
CAH	CAG	CAF	HAF	179.0°	179.7°
CAG	CAH	CAI	HAI	178.7°	180.0°
CAI	CAJ	C1	HAJ	180.0°	179.9°
CAJ	CAI	CAH	HAI	180.0°	179.9°
CAJ	CAI	CAH	CAK	179.3°	179.9°
CAI	CAJ	C1	C	179.1°	180.0°
C1	CAJ	CAI	CAH	0.8°	0.0°
CAJ	C1	C	S	83.6°	90.0°
CAJ	C1	CAF	HAF	179.5°	179.7°
C1	CAJ	CAI	HAI	179.2°	180.0°
CAJ	C1	C	HC1	155.9°	149.9°
CAJ	C1	C	HC2	36.9°	30.0°
CAI	CAH	CAK	N1	5.9°	0.1°
CAI	CAH	CAK	N	172.7°	179.7°
CAI	CAH	CAG	HAG	178.6°	180.0°
CAH	CAI	CAJ	HAJ	179.2°	180.0°
CAH	CAK	N1	N	178.6°	179.8°
CAH	CAK	N	CAT	179.5°	180.0°
CAH	CAK	N1	CAM	179.6°	179.9°
CAK	CAH	CAG	HAG	0.6°	0.1°
CAK	CAH	CAI	HAI	0.7°	0.1°
CAH	CAK	N1	H1	0.4°	0.0°
N1	CAK	N	CAT	0.8°	0.2°
CAK	N1	CAM	CAO	1.5°	0.1°
CAK	N1	CAM	H1	180.0°	180.0°
CAK	N1	CAM	OAN	178.9°	179.9°
CAK	N	CAT	CAS	179.9°	180.0°
CAK	N	CAT	CAO	1.3°	0.0°
N	CAK	N1	CAM	1.0°	0.2°
N	CAK	N1	H1	179.0°	179.8°
CAS	CAT	CAO	N	178.8°	180.0°
CAT	CAS	CAR	HAS	180.0°	180.0°
CAT	CAS	CAR	CAQ	0.0°	0.0°
CAS	CAT	CAO	CAP	0.8°	0.0°
CAS	CAT	CAO	CAM	179.4°	179.8°
CAT	CAS	CAR	HAR	180.0°	180.0°
CAO	CAT	CAS	CAR	0.1°	0.0°
CAT	CAO	CAP	CAQ	1.4°	0.0°
CAT	CAO	CAP	CAM	178.5°	179.9°
CAT	CAO	CAM	N1	1.8°	0.1°
CAT	CAO	CAM	OAN	178.5°	180.0°
CAO	CAT	CAS	HAS	179.9°	179.9°
CAT	CAO	CAP	HAP	178.6°	180.0°
N	CAT	CAS	CAR	178.9°	180.0°
N	CAT	CAO	CAP	179.7°	180.0°
N	CAT	CAO	CAM	1.7°	0.1°
N	CAT	CAS	HAS	1.1°	0.0°
CAS	CAR	CAQ	HAR	180.0°	180.0°
CAS	CAR	CAQ	CAP	0.6°	0.1°
CAS	CAR	CAQ	HAQ	179.4°	180.0°
CAR	CAQ	CAP	HAQ	180.0°	179.9°
CAR	CAQ	CAP	CAO	1.3°	0.1°
CAQ	CAR	CAS	HAS	180.0°	180.0°
CAR	CAQ	CAP	HAP	178.7°	180.0°
CAQ	CAP	CAO	HAP	180.0°	180.0°
CAQ	CAP	CAO	CAM	179.9°	179.9°
CAP	CAQ	CAR	HAR	179.4°	179.9°
CAP	CAO	CAM	N1	179.7°	180.0°
CAP	CAO	CAM	OAN	0.0°	0.1°
CAO	CAP	CAQ	HAQ	178.7°	180.0°
CAO	CAM	N1	OAN	179.7°	179.9°
CAO	CAM	N1	H1	178.5°	180.0°
CAM	CAO	CAP	HAP	0.1°	0.1°
OAN	CAM	N1	H1	1.1°	0.1°
N10	S	C	C1	55.0°	180.0°
S	N10	H101	H102	120.0°	179.9°
N10	S	C	HC1	65.5°	59.9°
N10	S	C	HC2	175.5°	60.0°
S	C	C1	HC1	120.5°	120.1°
S	C	C1	HC2	120.5°	120.0°
C	S	N10	H101	60.3°	120.0°
C	S	N10	H102	179.7°	60.0°
S	C	HC1	HC2	118.6°	120.0°
C	C1	CAF	HAF	0.8°	0.3°
C	C1	CAJ	HAJ	0.9°	0.1°
C1	C	HC1	HC2	118.6°	120.0°
HAF	CAF	CAG	HAG	1.0°	0.3°
HAJ	CAJ	CAI	HAI	0.8°	0.1°
HAS	CAS	CAR	HAR	0.0°	0.0°
HAR	CAR	CAQ	HAQ	0.6°	0.0°
HAQ	CAQ	CAP	HAP	1.3°	0.0°

Release date:	2013-10-30
Definition date:	2013-06-24
Last modified:	2014-09-05
Release status:	REL
Processing site:	EBI
Derived from:	4BUU