YXZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAF	CAH	doub	0.00Å	1.35Å	Aromatic
CAF	CAJ	sing	0.00Å	1.46Å	Aromatic
CAH	CAL	sing	0.00Å	1.42Å	Aromatic
CAJ	NAU	doub	0.00Å	1.36Å	Aromatic
CAL	CBA	doub	0.00Å	1.46Å	Aromatic
NAU	CBA	sing	0.00Å	1.30Å	Aromatic
NAU	RU	sing	0.00Å	2.31Å
CBA	NBF	sing	0.00Å	1.46Å
RU	NAV	sing	0.00Å	2.21Å
RU	CL	sing	0.00Å	2.34Å
NBF	CBB	sing	0.00Å	1.42Å
NBF	CAR	sing	0.00Å	1.46Å
CBB	NAV	doub	0.00Å	1.37Å	Aromatic
CBB	CAM	sing	0.00Å	1.41Å	Aromatic
NAV	CAK	sing	0.00Å	1.37Å	Aromatic
CAP	CAR	sing	0.00Å	1.55Å
CAP	CAN	sing	0.00Å	1.51Å
CAM	CAI	doub	0.00Å	1.44Å	Aromatic
CAK	CAG	doub	0.00Å	1.41Å	Aromatic
CAO	CAN	sing	0.00Å	1.53Å
CAO	CAQ	sing	0.00Å	1.50Å
CAI	CAG	sing	0.00Å	1.42Å	Aromatic
CAQ	NBE	sing	0.00Å	1.47Å
CAL	H1	sing	0.00Å	1.08Å
CAH	H2	sing	0.00Å	1.08Å
CAF	H3	sing	0.00Å	1.08Å
CAJ	H4	sing	0.00Å	1.08Å
CAM	H5	sing	0.00Å	1.08Å
CAI	H6	sing	0.00Å	1.08Å
CAG	H7	sing	0.00Å	1.08Å
CAK	H8	sing	0.00Å	1.08Å
CAR	H9	sing	0.00Å	1.10Å
CAP	H10	sing	0.00Å	1.10Å
CAN	H11	sing	0.00Å	1.10Å
CAN	H12	sing	0.00Å	1.10Å
CAO	H13	sing	0.00Å	1.10Å
CAO	H14	sing	0.00Å	1.10Å
CAQ	H15	sing	0.00Å	1.10Å
CAQ	H16	sing	0.00Å	1.10Å
NBE	H17	sing	0.00Å	1.00Å
NBE	H18	sing	0.00Å	1.00Å
CAR	H20	sing	0.00Å	1.10Å
CAP	H21	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAH	CAF	CAJ	120.2°	90.0°
CAF	CAH	CAL	117.9°	90.0°
CAF	CAH	H2	121.1°	90.0°
CAH	CAF	H3	119.9°	90.0°
CAF	CAJ	NAU	120.0°	90.0°
CAJ	CAF	H3	119.9°	90.0°
CAF	CAJ	H4	120.0°	90.0°
CAH	CAL	CBA	120.2°	90.0°
CAH	CAL	H1	119.9°	90.0°
CAL	CAH	H2	121.1°	90.0°
CAJ	NAU	CBA	121.7°	90.0°
CAJ	NAU	RU	118.6°	90.0°
NAU	CAJ	H4	120.0°	90.0°
CAL	CBA	NAU	119.9°	90.0°
CAL	CBA	NBF	120.2°	90.0°
CBA	CAL	H1	119.9°	90.0°
CBA	NAU	RU	119.7°	90.0°
NAU	CBA	NBF	119.9°	90.0°
NAU	RU	NAV	82.8°	90.0°
NAU	RU	CL	151.5°	90.0°
CBA	NBF	CBB	118.1°	90.0°
CBA	NBF	CAR	120.2°	90.0°
NAV	RU	CL	95.6°	90.0°
RU	NAV	CBB	120.4°	90.0°
RU	NAV	CAK	116.6°	90.0°
CBB	NBF	CAR	121.0°	90.0°
NBF	CBB	NAV	119.4°	90.0°
NBF	CBB	CAM	120.8°	90.0°
NBF	CAR	CAP	116.3°	90.0°
NBF	CAR	H9	107.7°	90.0°
NBF	CAR	H20	107.8°	90.0°
NAV	CBB	CAM	119.8°	90.0°
CBB	NAV	CAK	123.0°	90.0°
CBB	CAM	CAI	118.6°	90.0°
CBB	CAM	H5	120.7°	90.0°
NAV	CAK	CAG	120.0°	90.0°
NAV	CAK	H8	120.0°	90.0°
CAR	CAP	CAN	119.6°	90.0°
CAP	CAR	H9	107.7°	90.0°
CAR	CAP	H10	106.9°	90.0°
CAP	CAR	H20	107.7°	90.0°
CAR	CAP	H21	106.9°	90.0°
CAP	CAN	CAO	117.5°	90.0°
CAN	CAP	H10	106.9°	90.0°
CAP	CAN	H11	107.4°	90.0°
CAP	CAN	H12	107.4°	90.0°
CAN	CAP	H21	106.9°	90.0°
CAM	CAI	CAG	120.0°	90.0°
CAI	CAM	H5	120.7°	90.0°
CAM	CAI	H6	120.0°	90.0°
CAK	CAG	CAI	118.7°	90.0°
CAK	CAG	H7	120.6°	90.0°
CAG	CAK	H8	120.0°	90.0°
CAN	CAO	CAQ	118.4°	90.0°
CAO	CAN	H11	107.4°	90.0°
CAO	CAN	H12	107.5°	90.0°
CAN	CAO	H13	107.2°	90.0°
CAN	CAO	H14	107.2°	90.0°
CAO	CAQ	NBE	119.1°	90.0°
CAQ	CAO	H13	107.2°	90.0°
CAQ	CAO	H14	107.2°	90.0°
CAO	CAQ	H15	107.0°	90.0°
CAO	CAQ	H16	107.0°	90.0°
CAG	CAI	H6	120.0°	90.0°
CAI	CAG	H7	120.7°	90.0°
NBE	CAQ	H15	107.0°	90.0°
NBE	CAQ	H16	107.0°	90.0°
CAQ	NBE	H17	109.5°	90.0°
CAQ	NBE	H18	109.5°	90.0°
H9	CAR	H20	109.5°	90.0°
H10	CAP	H21	109.5°	90.0°
H11	CAN	H12	109.5°	90.0°
H13	CAO	H14	109.5°	90.0°
H15	CAQ	H16	109.5°	90.0°
H17	NBE	H18	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAH	CAF	CAJ	H3	180.0°	90.0°
CAF	CAH	CAL	H2	180.0°	90.0°
CAH	CAF	CAJ	NAU	0.2°	90.0°
CAF	CAH	CAL	CBA	0.2°	90.0°
CAF	CAH	CAL	H1	179.8°	90.0°
CAH	CAF	CAJ	H4	179.8°	90.0°
CAJ	CAF	CAH	CAL	0.0°	90.0°
CAF	CAJ	NAU	H4	180.0°	90.0°
CAF	CAJ	NAU	CBA	0.1°	90.0°
CAF	CAJ	NAU	RU	179.9°	90.0°
CAJ	CAF	CAH	H2	179.9°	90.0°
CAH	CAL	CBA	H1	180.0°	90.0°
CAH	CAL	CBA	NAU	0.3°	90.0°
CAH	CAL	CBA	NBF	179.9°	90.0°
CAL	CAH	CAF	H3	180.0°	90.0°
CAJ	NAU	CBA	CAL	0.1°	90.0°
CAJ	NAU	CBA	RU	180.0°	90.0°
CAJ	NAU	CBA	NBF	179.7°	90.0°
CAJ	NAU	RU	NAV	143.5°	90.0°
CAJ	NAU	RU	CL	128.1°	90.0°
NAU	CAJ	CAF	H3	179.8°	90.0°
CAL	CBA	NAU	NBF	179.6°	90.0°
CAL	CBA	NAU	RU	179.9°	90.0°
CAL	CBA	NBF	CBB	121.0°	90.0°
CAL	CBA	NBF	CAR	68.6°	90.0°
CBA	CAL	CAH	H2	179.8°	90.0°
CBA	NAU	RU	NAV	36.5°	90.0°
CBA	NAU	RU	CL	51.9°	90.0°
NAU	CBA	NBF	CBB	58.6°	90.0°
NAU	CBA	NBF	CAR	111.8°	90.0°
NAU	CBA	CAL	H1	179.7°	90.0°
CBA	NAU	CAJ	H4	179.9°	90.0°
RU	NAU	CBA	NBF	0.3°	90.0°
NAU	RU	NAV	CL	151.4°	90.0°
NAU	RU	NAV	CBB	36.1°	90.0°
NAU	RU	NAV	CAK	143.8°	90.0°
RU	NAU	CAJ	H4	0.1°	90.0°
CBA	NBF	CBB	CAR	170.4°	90.0°
CBA	NBF	CBB	NAV	59.1°	90.0°
CBA	NBF	CBB	CAM	119.9°	90.0°
CBA	NBF	CAR	CAP	86.6°	90.0°
NBF	CBA	CAL	H1	0.1°	90.0°
CBA	NBF	CAR	H9	152.4°	90.0°
CBA	NBF	CAR	H20	34.3°	90.0°
RU	NAV	CBB	NBF	0.3°	90.0°
RU	NAV	CBB	CAK	179.9°	90.0°
RU	NAV	CBB	CAM	179.2°	90.0°
RU	NAV	CAK	CAG	179.8°	90.0°
RU	NAV	CAK	H8	0.2°	90.0°
CL	RU	NAV	CBB	115.2°	90.0°
CL	RU	NAV	CAK	64.8°	90.0°
NBF	CBB	NAV	CAM	179.0°	90.0°
NBF	CBB	NAV	CAK	179.7°	90.0°
CBB	NBF	CAR	CAP	103.2°	90.0°
NBF	CBB	CAM	CAI	179.8°	90.0°
NBF	CBB	CAM	H5	0.2°	90.0°
CBB	NBF	CAR	H9	17.8°	90.0°
CBB	NBF	CAR	H20	135.9°	90.0°
CAR	NBF	CBB	NAV	111.3°	90.0°
CAR	NBF	CBB	CAM	69.7°	90.0°
NBF	CAR	CAP	H9	121.0°	90.0°
NBF	CAR	CAP	H20	121.0°	90.0°
NBF	CAR	CAP	CAN	169.1°	90.0°
NBF	CAR	H9	H20	116.9°	90.0°
NBF	CAR	CAP	H10	69.4°	90.0°
NBF	CAR	CAP	H21	47.7°	90.0°
NAV	CBB	CAM	CAI	0.9°	90.0°
CBB	NAV	CAK	CAG	0.1°	90.0°
NAV	CBB	CAM	H5	179.1°	90.0°
CBB	NAV	CAK	H8	179.9°	90.0°
CAM	CBB	NAV	CAK	0.7°	90.0°
CBB	CAM	CAI	H5	180.0°	90.0°
CBB	CAM	CAI	CAG	0.5°	90.0°
CBB	CAM	CAI	H6	179.5°	90.0°
NAV	CAK	CAG	H8	180.0°	90.0°
NAV	CAK	CAG	CAI	0.2°	90.0°
NAV	CAK	CAG	H7	179.8°	90.0°
CAR	CAP	CAN	H10	121.4°	90.0°
CAR	CAP	CAN	H21	121.4°	90.0°
CAR	CAP	CAN	CAO	110.5°	90.0°
CAP	CAR	H9	H20	116.9°	90.0°
CAR	CAP	H10	H21	115.4°	90.0°
CAR	CAP	CAN	H11	128.4°	90.0°
CAR	CAP	CAN	H12	10.7°	90.0°
CAP	CAN	CAO	H11	121.2°	90.0°
CAP	CAN	CAO	H12	121.2°	90.0°
CAP	CAN	CAO	CAQ	145.0°	90.0°
CAN	CAP	CAR	H9	48.2°	90.0°
CAN	CAP	H10	H21	115.4°	90.0°
CAP	CAN	H11	H12	116.3°	90.0°
CAP	CAN	CAO	H13	93.8°	90.0°
CAP	CAN	CAO	H14	23.7°	90.0°
CAN	CAP	CAR	H20	69.9°	90.0°
CAM	CAI	CAG	CAK	0.0°	90.0°
CAM	CAI	CAG	H6	180.0°	90.0°
CAM	CAI	CAG	H7	180.0°	90.0°
CAK	CAG	CAI	H7	180.0°	90.0°
CAK	CAG	CAI	H6	180.0°	90.0°
CAN	CAO	CAQ	H13	121.3°	90.0°
CAN	CAO	CAQ	H14	121.3°	90.0°
CAN	CAO	CAQ	NBE	97.4°	90.0°
CAO	CAN	CAP	H10	10.9°	90.0°
CAO	CAN	H11	H12	116.4°	90.0°
CAN	CAO	H13	H14	115.9°	90.0°
CAN	CAO	CAQ	H15	141.3°	90.0°
CAN	CAO	CAQ	H16	24.0°	90.0°
CAO	CAN	CAP	H21	128.1°	90.0°
CAO	CAQ	NBE	H15	121.3°	90.0°
CAO	CAQ	NBE	H16	121.4°	90.0°
CAQ	CAO	CAN	H11	23.8°	90.0°
CAQ	CAO	CAN	H12	93.9°	90.0°
CAQ	CAO	H13	H14	116.0°	90.0°
CAO	CAQ	H15	H16	115.6°	90.0°
CAO	CAQ	NBE	H17	180.0°	90.0°
CAO	CAQ	NBE	H18	60.0°	90.0°
CAG	CAI	CAM	H5	179.5°	90.0°
CAI	CAG	CAK	H8	179.8°	90.0°
NBE	CAQ	CAO	H13	23.9°	90.0°
NBE	CAQ	CAO	H14	141.3°	90.0°
NBE	CAQ	H15	H16	115.7°	90.0°
CAQ	NBE	H17	H18	120.0°	90.0°
H1	CAL	CAH	H2	0.2°	90.0°
H2	CAH	CAF	H3	0.1°	90.0°
H3	CAF	CAJ	H4	0.2°	90.0°
H5	CAM	CAI	H6	0.5°	90.0°
H6	CAI	CAG	H7	0.0°	90.0°
H7	CAG	CAK	H8	0.2°	90.0°
H9	CAR	CAP	H10	169.6°	90.0°
H9	CAR	CAP	H21	73.2°	90.0°
H10	CAP	CAN	H11	110.2°	90.0°
H10	CAP	CAN	H12	132.1°	90.0°
H10	CAP	CAR	H20	51.5°	90.0°
H11	CAN	CAO	H13	145.1°	90.0°
H11	CAN	CAO	H14	97.5°	90.0°
H11	CAN	CAP	H21	7.0°	90.0°
H12	CAN	CAO	H13	27.4°	90.0°
H12	CAN	CAO	H14	144.8°	90.0°
H12	CAN	CAP	H21	110.7°	90.0°
H13	CAO	CAQ	H15	97.5°	90.0°
H13	CAO	CAQ	H16	145.3°	90.0°
H14	CAO	CAQ	H15	20.0°	90.0°
H14	CAO	CAQ	H16	97.3°	90.0°
H15	CAQ	NBE	H17	58.6°	90.0°
H15	CAQ	NBE	H18	178.7°	90.0°
H16	CAQ	NBE	H17	58.6°	90.0°
H16	CAQ	NBE	H18	61.4°	90.0°
H20	CAR	CAP	H21	168.7°	90.0°

Release date:	2014-06-25
Definition date:	2013-05-24
Last modified:	2014-06-20
Release status:	REL
Processing site:	PDBJ
Derived from:	4KP9