15F

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAR	CAK	doub	1.39Å	1.39Å	Aromatic
CAR	CAJ	sing	1.39Å	1.39Å	Aromatic
CAR	CAN	sing	1.51Å	1.39Å
CAK	CAM	sing	1.38Å	1.38Å	Aromatic
CAM	NAT	doub	1.32Å	1.39Å	Aromatic
CAJ	CAL	doub	1.38Å	1.39Å	Aromatic
CAL	NAT	sing	1.32Å	1.41Å	Aromatic
NAT	CAO	sing	1.47Å	1.48Å
CAO	CAS	sing	1.51Å	1.39Å
CAS	CAH	sing	1.38Å	1.39Å	Aromatic
CAS	CAI	doub	1.38Å	1.40Å	Aromatic
CAH	CAF	doub	1.38Å	1.39Å	Aromatic
CAF	CAE	sing	1.38Å	1.39Å	Aromatic
CAE	CAG	doub	1.38Å	1.40Å	Aromatic
CAG	CAI	sing	1.38Å	1.39Å	Aromatic
CLB	CAU	sing	1.80Å	1.75Å
CAU	CLC	sing	1.80Å	1.76Å
CAU	CLD	sing	1.80Å	1.79Å
CAU	CAQ	sing	1.51Å	1.53Å
CAQ	NAA	doub	1.29Å	1.34Å
CAQ	OAP	sing	1.35Å	1.37Å
OAP	CAN	sing	1.43Å	1.44Å
CAK	HAK	sing	1.08Å	1.08Å
CAJ	HAJ	sing	1.08Å	1.08Å
CAN	HAN1	sing	1.09Å	1.10Å
CAN	HAN2	sing	1.09Å	1.10Å
CAM	HAM	sing	1.08Å	1.08Å
CAL	HAL	sing	1.08Å	1.08Å
CAO	HAO1	sing	1.09Å	1.10Å
CAO	HAO2	sing	1.09Å	1.10Å
CAH	HAH	sing	1.08Å	1.08Å
CAI	HAI	sing	1.08Å	1.08Å
CAF	HAF	sing	1.08Å	1.08Å
CAE	HAE	sing	1.08Å	1.08Å
CAG	HAG	sing	1.08Å	1.08Å
NAA	HAA	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAK	CAR	CAJ	120.5°	118.5°
CAK	CAR	CAN	117.7°	120.7°
CAR	CAK	CAM	120.7°	119.1°
CAR	CAK	HAK	119.6°	120.4°
CAJ	CAR	CAN	121.8°	120.8°
CAR	CAJ	CAL	119.3°	119.2°
CAR	CAJ	HAJ	120.3°	120.4°
CAR	CAN	OAP	103.7°	109.4°
CAR	CAN	HAN1	110.9°	109.5°
CAR	CAN	HAN2	110.9°	109.5°
CAK	CAM	NAT	119.9°	120.8°
CAM	CAK	HAK	119.7°	120.5°
CAK	CAM	HAM	120.1°	119.6°
CAM	NAT	CAL	119.5°	121.8°
CAM	NAT	CAO	118.1°	119.1°
NAT	CAM	HAM	120.1°	119.7°
CAJ	CAL	NAT	120.2°	120.7°
CAL	CAJ	HAJ	120.4°	120.4°
CAJ	CAL	HAL	119.9°	119.6°
CAL	NAT	CAO	122.3°	119.1°
NAT	CAL	HAL	119.9°	119.7°
NAT	CAO	CAS	111.4°	109.5°
NAT	CAO	HAO1	109.0°	109.5°
NAT	CAO	HAO2	109.0°	109.5°
CAO	CAS	CAH	119.4°	120.0°
CAO	CAS	CAI	119.9°	120.0°
CAS	CAO	HAO1	109.0°	109.4°
CAS	CAO	HAO2	109.0°	109.5°
CAH	CAS	CAI	120.7°	120.0°
CAS	CAH	CAF	119.6°	120.0°
CAS	CAH	HAH	120.2°	120.0°
CAS	CAI	CAG	119.8°	120.0°
CAS	CAI	HAI	120.1°	120.0°
CAH	CAF	CAE	119.5°	120.0°
CAF	CAH	HAH	120.2°	120.0°
CAH	CAF	HAF	120.3°	120.0°
CAF	CAE	CAG	121.2°	119.9°
CAE	CAF	HAF	120.2°	120.0°
CAF	CAE	HAE	119.4°	120.0°
CAE	CAG	CAI	119.1°	120.1°
CAG	CAE	HAE	119.3°	120.1°
CAE	CAG	HAG	120.5°	119.9°
CAG	CAI	HAI	120.1°	120.0°
CAI	CAG	HAG	120.4°	120.0°
CLB	CAU	CLC	107.0°	109.5°
CLB	CAU	CLD	109.0°	109.5°
CLB	CAU	CAQ	107.6°	109.5°
CLC	CAU	CLD	112.0°	109.4°
CLC	CAU	CAQ	110.9°	109.5°
CLD	CAU	CAQ	110.2°	109.5°
CAU	CAQ	NAA	115.1°	120.0°
CAU	CAQ	OAP	118.5°	120.0°
NAA	CAQ	OAP	126.1°	120.0°
CAQ	NAA	HAA	112.0°	120.0°
CAQ	OAP	CAN	110.4°	117.0°
OAP	CAN	HAN1	110.9°	109.5°
OAP	CAN	HAN2	110.9°	109.5°
HAN1	CAN	HAN2	109.5°	109.5°
HAO1	CAO	HAO2	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAK	CAR	CAJ	CAN	178.0°	179.7°
CAR	CAK	CAM	HAK	180.0°	180.0°
CAR	CAK	CAM	NAT	0.3°	0.0°
CAK	CAR	CAJ	CAL	0.1°	0.0°
CAK	CAR	CAN	OAP	62.7°	90.0°
CAK	CAR	CAJ	HAJ	179.9°	179.9°
CAK	CAR	CAN	HAN1	178.3°	150.0°
CAK	CAR	CAN	HAN2	56.4°	29.9°
CAR	CAK	CAM	HAM	179.8°	180.0°
CAJ	CAR	CAK	CAM	0.3°	0.0°
CAR	CAJ	CAL	HAJ	180.0°	180.0°
CAR	CAJ	CAL	NAT	0.0°	0.0°
CAJ	CAR	CAN	OAP	115.4°	90.3°
CAJ	CAR	CAK	HAK	179.7°	180.0°
CAJ	CAR	CAN	HAN1	3.7°	29.7°
CAJ	CAR	CAN	HAN2	125.5°	149.7°
CAR	CAJ	CAL	HAL	180.0°	180.0°
CAN	CAR	CAK	CAM	178.4°	179.7°
CAN	CAR	CAJ	CAL	178.1°	179.7°
CAR	CAN	OAP	CAQ	74.5°	180.0°
CAR	CAN	OAP	HAN1	119.1°	120.0°
CAR	CAN	OAP	HAN2	119.1°	120.0°
CAN	CAR	CAK	HAK	1.6°	0.3°
CAN	CAR	CAJ	HAJ	1.9°	0.3°
CAR	CAN	HAN1	HAN2	122.7°	120.0°
CAK	CAM	NAT	HAM	180.0°	180.0°
CAK	CAM	NAT	CAL	0.1°	0.0°
CAK	CAM	NAT	CAO	179.9°	180.0°
CAM	NAT	CAL	CAJ	0.0°	0.0°
CAM	NAT	CAL	CAO	179.8°	180.0°
CAM	NAT	CAO	CAS	166.3°	90.0°
NAT	CAM	CAK	HAK	179.7°	180.0°
CAM	NAT	CAL	HAL	180.0°	180.0°
CAM	NAT	CAO	HAO1	73.4°	150.0°
CAM	NAT	CAO	HAO2	46.0°	30.0°
CAJ	CAL	NAT	HAL	180.0°	180.0°
CAJ	CAL	NAT	CAO	179.7°	180.0°
CAL	NAT	CAO	CAS	13.5°	90.0°
NAT	CAL	CAJ	HAJ	180.0°	180.0°
CAL	NAT	CAM	HAM	179.9°	180.0°
CAL	NAT	CAO	HAO1	106.8°	30.0°
CAL	NAT	CAO	HAO2	133.8°	150.0°
NAT	CAO	CAS	HAO1	120.3°	120.0°
NAT	CAO	CAS	HAO2	120.3°	120.1°
NAT	CAO	CAS	CAH	98.7°	90.0°
NAT	CAO	CAS	CAI	81.5°	90.3°
CAO	NAT	CAM	HAM	0.1°	0.0°
CAO	NAT	CAL	HAL	0.3°	0.0°
NAT	CAO	HAO1	HAO2	119.1°	120.1°
CAO	CAS	CAH	CAI	179.8°	179.7°
CAO	CAS	CAH	CAF	179.9°	180.0°
CAO	CAS	CAI	CAG	179.8°	179.8°
CAS	CAO	HAO1	HAO2	119.1°	120.0°
CAO	CAS	CAH	HAH	0.1°	0.1°
CAO	CAS	CAI	HAI	0.2°	0.0°
CAS	CAH	CAF	HAH	180.0°	179.9°
CAS	CAH	CAF	CAE	0.1°	0.1°
CAH	CAS	CAI	CAG	0.4°	0.5°
CAH	CAS	CAO	HAO1	21.6°	30.0°
CAH	CAS	CAO	HAO2	141.0°	149.9°
CAH	CAS	CAI	HAI	179.6°	179.7°
CAS	CAH	CAF	HAF	179.9°	179.9°
CAI	CAS	CAH	CAF	0.3°	0.3°
CAS	CAI	CAG	CAE	0.2°	0.5°
CAS	CAI	CAG	HAI	180.0°	179.7°
CAI	CAS	CAO	HAO1	158.2°	149.7°
CAI	CAS	CAO	HAO2	38.8°	29.8°
CAI	CAS	CAH	HAH	179.7°	179.8°
CAS	CAI	CAG	HAG	179.8°	179.7°
CAH	CAF	CAE	HAF	180.0°	180.0°
CAH	CAF	CAE	CAG	0.1°	0.1°
CAH	CAF	CAE	HAE	179.9°	179.9°
CAF	CAE	CAG	HAE	180.0°	179.9°
CAF	CAE	CAG	CAI	0.0°	0.3°
CAE	CAF	CAH	HAH	180.0°	180.0°
CAF	CAE	CAG	HAG	180.0°	179.9°
CAE	CAG	CAI	HAG	180.0°	179.8°
CAE	CAG	CAI	HAI	179.7°	179.8°
CAG	CAE	CAF	HAF	179.9°	180.0°
CAI	CAG	CAE	HAE	180.0°	179.9°
CLB	CAU	CLC	CLD	119.4°	120.0°
CLB	CAU	CLC	CAQ	117.1°	120.0°
CLB	CAU	CLD	CAQ	117.8°	120.0°
CLB	CAU	CAQ	NAA	40.8°	0.0°
CLB	CAU	CAQ	OAP	144.9°	180.0°
CLC	CAU	CLD	CAQ	123.9°	120.0°
CLC	CAU	CAQ	NAA	76.0°	120.0°
CLC	CAU	CAQ	OAP	98.4°	60.0°
CLD	CAU	CAQ	NAA	159.5°	120.0°
CLD	CAU	CAQ	OAP	26.1°	60.0°
CAU	CAQ	NAA	OAP	173.9°	180.0°
CAU	CAQ	OAP	CAN	169.3°	180.0°
CAU	CAQ	NAA	HAA	173.8°	180.0°
NAA	CAQ	OAP	CAN	17.0°	0.0°
CAQ	OAP	CAN	HAN1	44.5°	60.0°
CAQ	OAP	CAN	HAN2	166.4°	60.0°
OAP	CAQ	NAA	HAA	0.0°	0.1°
OAP	CAN	HAN1	HAN2	122.7°	120.0°
HAK	CAK	CAM	HAM	0.2°	0.0°
HAJ	CAJ	CAL	HAL	0.0°	0.1°
HAH	CAH	CAF	HAF	0.0°	0.0°
HAI	CAI	CAG	HAG	0.3°	0.0°
HAF	CAF	CAE	HAE	0.1°	0.1°
HAE	CAE	CAG	HAG	0.0°	0.1°

Release date:	2012-08-24
Definition date:	2012-07-04
Last modified:	2014-09-05
Release status:	REL
Processing site:	EBI
Derived from:	4B0O