FWO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C09	sing	1.53Å	1.54Å
C09	C08	sing	1.53Å	1.54Å
C09	C12	sing	1.53Å	1.54Å
C08	C10	sing	1.53Å	1.54Å
O03	C15	doub	1.21Å	1.28Å
C10	N06	sing	1.46Å	1.47Å
C10	C15	sing	1.51Å	1.53Å
N06	C14	sing	1.35Å	1.47Å
C15	O01	sing	1.34Å	1.29Å
O04	C17	doub	1.21Å	1.27Å
C13	C14	sing	1.51Å	1.53Å
C13	C16	sing	1.53Å	1.55Å
C14	O02	doub	1.21Å	1.20Å
C17	O05	sing	1.34Å	1.27Å
C17	C16	sing	1.51Å	1.57Å
C16	N07	sing	1.47Å	1.47Å
C10	H1	sing	1.09Å	1.10Å
C13	H2	sing	1.09Å	1.10Å
C13	H3	sing	1.09Å	1.10Å
O01	H4	sing	0.97Å	0.95Å
O05	H5	sing	0.97Å	0.95Å
N06	H6	sing	0.97Å	1.00Å
N07	H7	sing	1.01Å	1.00Å
N07	H8	sing	1.01Å	1.00Å
C08	H10	sing	1.09Å	1.10Å
C08	H11	sing	1.09Å	1.10Å
C09	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C11	H14	sing	1.09Å	1.10Å
C11	H15	sing	1.09Å	1.10Å
C12	H16	sing	1.09Å	1.10Å
C12	H17	sing	1.09Å	1.10Å
C12	H18	sing	1.09Å	1.10Å
C16	H19	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C09	C08	111.6°	109.5°
C11	C09	C12	111.0°	109.4°
C11	C09	H12	108.8°	109.4°
C09	C11	H13	109.5°	109.5°
C09	C11	H14	109.4°	109.5°
C09	C11	H15	109.5°	109.5°
C08	C09	C12	107.9°	109.5°
C09	C08	C10	116.7°	109.5°
C09	C08	H10	107.6°	109.5°
C09	C08	H11	107.6°	109.5°
C08	C09	H12	108.7°	109.5°
C12	C09	H12	108.8°	109.5°
C09	C12	H16	109.5°	109.4°
C09	C12	H17	109.5°	109.4°
C09	C12	H18	109.5°	109.5°
C08	C10	N06	109.5°	109.5°
C08	C10	C15	108.3°	109.5°
C08	C10	H1	109.5°	109.5°
C10	C08	H10	107.7°	109.5°
C10	C08	H11	107.7°	109.5°
O03	C15	C10	118.9°	120.0°
O03	C15	O01	121.2°	120.0°
N06	C10	C15	109.6°	109.5°
C10	N06	C14	126.1°	120.0°
N06	C10	H1	110.4°	109.4°
C10	N06	H6	116.9°	120.0°
C10	C15	O01	119.9°	120.0°
C15	C10	H1	109.5°	109.5°
N06	C14	C13	115.9°	120.1°
N06	C14	O02	123.7°	120.0°
C14	N06	H6	116.9°	120.0°
C15	O01	H4	109.5°	117.1°
O04	C17	O05	117.9°	120.0°
O04	C17	C16	121.4°	120.0°
C14	C13	C16	114.9°	109.5°
C13	C14	O02	120.4°	120.0°
C14	C13	H2	108.1°	109.5°
C14	C13	H3	108.1°	109.4°
C13	C16	C17	110.3°	109.5°
C13	C16	N07	110.5°	109.5°
C16	C13	H2	108.1°	109.5°
C16	C13	H3	108.1°	109.4°
C13	C16	H19	107.0°	109.5°
O05	C17	C16	120.7°	120.0°
C17	O05	H5	109.5°	117.0°
C17	C16	N07	114.1°	109.5°
C17	C16	H19	106.7°	109.5°
C16	N07	H7	109.5°	111.0°
C16	N07	H8	109.5°	111.0°
N07	C16	H19	107.8°	109.5°
H2	C13	H3	109.5°	109.4°
H7	N07	H8	109.5°	111.0°
H10	C08	H11	109.5°	109.4°
H13	C11	H14	109.5°	109.4°
H13	C11	H15	109.4°	109.5°
H14	C11	H15	109.5°	109.5°
H16	C12	H17	109.5°	109.5°
H16	C12	H18	109.4°	109.5°
H17	C12	H18	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C09	C08	C12	122.1°	120.0°
C11	C09	C08	H12	120.0°	120.0°
C11	C09	C12	H12	119.6°	120.0°
C11	C09	C08	C10	145.8°	174.2°
C11	C09	C08	H10	24.7°	54.2°
C11	C09	C08	H11	93.2°	65.8°
C09	C11	H13	H14	120.0°	120.0°
C09	C11	H13	H15	120.0°	120.0°
C09	C11	H14	H15	120.0°	120.0°
C11	C09	C12	H16	180.0°	180.0°
C11	C09	C12	H17	60.0°	60.0°
C11	C09	C12	H18	60.0°	60.0°
C08	C09	C12	H12	117.8°	120.1°
C09	C08	C10	H10	121.0°	120.1°
C09	C08	C10	H11	121.0°	120.0°
C09	C08	C10	N06	153.8°	63.3°
C09	C08	C10	C15	34.3°	176.6°
C09	C08	C10	H1	85.0°	56.6°
C09	C08	H10	H11	116.7°	120.0°
C08	C09	C11	H13	180.0°	177.3°
C08	C09	C11	H14	60.0°	62.8°
C08	C09	C11	H15	60.0°	57.3°
C08	C09	C12	H16	57.5°	60.0°
C08	C09	C12	H17	62.6°	180.0°
C08	C09	C12	H18	177.4°	60.0°
C12	C09	C08	C10	92.1°	65.8°
C12	C09	C08	H10	146.9°	174.1°
C12	C09	C08	H11	29.0°	54.1°
C12	C09	C11	H13	59.6°	57.3°
C12	C09	C11	H14	60.4°	177.2°
C12	C09	C11	H15	179.6°	62.7°
C09	C12	H16	H17	120.0°	119.9°
C09	C12	H16	H18	120.0°	120.0°
C09	C12	H17	H18	120.0°	120.0°
C08	C10	C15	O03	66.8°	120.0°
C08	C10	N06	C15	118.7°	120.0°
C08	C10	N06	H1	120.6°	120.0°
C08	C10	C15	H1	119.3°	120.0°
C08	C10	N06	C14	110.5°	155.0°
C08	C10	C15	O01	112.0°	60.0°
C08	C10	N06	H6	69.5°	25.1°
C10	C08	H10	H11	116.8°	119.9°
C10	C08	C09	H12	25.8°	54.2°
O03	C15	C10	N06	52.6°	0.0°
O03	C15	C10	O01	178.8°	180.0°
O03	C15	C10	H1	173.8°	120.0°
O03	C15	O01	H4	0.0°	0.0°
N06	C10	C15	H1	121.2°	120.0°
C10	N06	C14	H6	180.0°	179.9°
N06	C10	C15	O01	128.6°	180.0°
C10	N06	C14	C13	179.6°	180.0°
C10	N06	C14	O02	0.1°	0.0°
N06	C10	C08	H10	32.8°	56.7°
N06	C10	C08	H11	85.2°	176.7°
C15	C10	N06	C14	130.9°	85.0°
C10	C15	O01	H4	178.7°	180.0°
C15	C10	N06	H6	49.1°	95.0°
C15	C10	C08	H10	86.7°	63.3°
C15	C10	C08	H11	155.4°	56.6°
N06	C14	C13	O02	179.7°	180.0°
N06	C14	C13	C16	160.4°	180.0°
C14	N06	C10	H1	10.1°	35.0°
N06	C14	C13	H2	39.6°	59.9°
N06	C14	C13	H3	78.8°	60.0°
O01	C15	C10	H1	7.4°	60.0°
O04	C17	C16	C13	57.4°	100.1°
O04	C17	O05	C16	179.3°	180.0°
O04	C17	C16	N07	67.8°	20.0°
O04	C17	O05	H5	0.0°	0.0°
O04	C17	C16	H19	173.2°	140.0°
C14	C13	C16	H2	120.8°	120.1°
C14	C13	C16	H3	120.8°	120.0°
C14	C13	C16	C17	137.8°	175.0°
C14	C13	C16	N07	10.6°	65.0°
C14	C13	H2	H3	117.6°	119.9°
C13	C14	N06	H6	0.4°	0.0°
C14	C13	C16	H19	106.5°	55.0°
C16	C13	C14	O02	19.9°	0.0°
C13	C16	C17	O05	121.9°	80.0°
C13	C16	C17	N07	125.2°	120.0°
C13	C16	C17	H19	115.8°	120.0°
C13	C16	N07	H19	116.6°	120.0°
C16	C13	H2	H3	117.5°	120.0°
C13	C16	N07	H7	180.0°	176.0°
C13	C16	N07	H8	60.0°	60.1°
O02	C14	C13	H2	140.7°	120.0°
O02	C14	C13	H3	100.9°	120.0°
O02	C14	N06	H6	179.9°	180.0°
O05	C17	C16	N07	112.9°	160.0°
O05	C17	C16	H19	6.1°	40.0°
C17	C16	N07	H19	118.4°	120.0°
C17	C16	C13	H2	101.4°	54.9°
C17	C16	C13	H3	17.0°	65.0°
C16	C17	O05	H5	179.3°	180.0°
C17	C16	N07	H7	54.9°	64.0°
C17	C16	N07	H8	65.0°	60.0°
N07	C16	C13	H2	131.4°	175.0°
N07	C16	C13	H3	110.2°	55.0°
C16	N07	H7	H8	120.0°	124.0°
H1	C10	N06	H6	169.9°	145.0°
H1	C10	C08	H10	153.9°	176.7°
H1	C10	C08	H11	36.0°	63.4°
H2	C13	C16	H19	14.3°	65.1°
H3	C13	C16	H19	132.7°	175.0°
H7	N07	C16	H19	63.4°	56.0°
H8	N07	C16	H19	176.6°	180.0°
H10	C08	C09	H12	95.2°	65.8°
H11	C08	C09	H12	146.8°	174.2°
H12	C09	C11	H13	60.0°	62.7°
H12	C09	C11	H14	179.9°	57.2°
H12	C09	C11	H15	59.9°	177.3°
H12	C09	C12	H16	60.3°	60.0°
H12	C09	C12	H17	179.6°	59.9°
H12	C09	C12	H18	59.6°	179.9°
H13	C11	H14	H15	119.9°	120.0°
H16	C12	H17	H18	120.0°	120.1°

Release date:	2020-12-30
Definition date:	2020-06-25
Last modified:	2020-12-25
Release status:	REL
Processing site:	PDBJ
Derived from:	7CF6