5ZM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	sing	1.53Å	1.43Å
C2	C3	sing	1.51Å	1.46Å
C2	C10	sing	1.51Å	1.53Å
C2	C19	sing	1.53Å	1.58Å
C3	C4	sing	1.37Å	1.46Å	Aromatic
C3	C8	doub	1.39Å	1.43Å	Aromatic
C4	C5	doub	1.39Å	1.46Å	Aromatic
C5	C6	sing	1.39Å	1.41Å	Aromatic
C5	C12	sing	1.48Å	1.34Å
C6	C7	doub	1.38Å	1.41Å	Aromatic
C7	C8	sing	1.39Å	1.43Å	Aromatic
C8	N9	sing	1.39Å	1.36Å
N9	C10	sing	1.34Å	1.42Å
C10	O11	doub	1.21Å	1.22Å
C12	C13	sing	1.39Å	1.57Å	Aromatic
C12	C17	doub	1.39Å	1.48Å	Aromatic
C13	C14	doub	1.38Å	1.39Å	Aromatic
C14	C15	sing	1.39Å	1.42Å	Aromatic
C15	C16	doub	1.39Å	1.47Å	Aromatic
C15	F18	sing	1.35Å	1.41Å
C16	C17	sing	1.38Å	1.40Å	Aromatic
C1	H11C	sing	1.09Å	1.10Å
C1	H12C	sing	1.09Å	1.10Å
C1	H13C	sing	1.09Å	1.10Å
C19	H191	sing	1.09Å	1.10Å
C19	H192	sing	1.09Å	1.10Å
C19	H193	sing	1.09Å	1.10Å
C4	H4	sing	1.08Å	1.08Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
N9	H9	sing	0.97Å	1.00Å
C13	H13	sing	1.08Å	1.08Å
C17	H17	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	112.4°	110.5°
C1	C2	C10	114.9°	110.5°
C1	C2	C19	120.4°	110.4°
C2	C1	H11C	109.5°	109.5°
C2	C1	H12C	109.5°	109.5°
C2	C1	H13C	109.4°	109.5°
C3	C2	C10	104.2°	104.1°
C3	C2	C19	105.0°	110.5°
C2	C3	C4	132.8°	132.8°
C2	C3	C8	108.1°	106.3°
C10	C2	C19	97.8°	110.6°
C2	C10	N9	106.5°	107.1°
C2	C10	O11	124.5°	126.5°
C2	C19	H191	109.5°	109.5°
C2	C19	H192	109.5°	109.5°
C2	C19	H193	109.5°	109.5°
C4	C3	C8	119.1°	120.9°
C3	C4	C5	118.1°	119.9°
C3	C4	H4	120.9°	120.0°
C3	C8	C7	122.2°	119.1°
C3	C8	N9	110.7°	110.2°
C4	C5	C6	120.0°	119.5°
C4	C5	C12	119.5°	120.2°
C5	C4	H4	120.9°	120.1°
C6	C5	C12	120.5°	120.2°
C5	C6	C7	122.4°	120.3°
C5	C6	H6	118.8°	119.9°
C5	C12	C13	116.0°	120.1°
C5	C12	C17	122.3°	120.1°
C6	C7	C8	118.2°	120.3°
C7	C6	H6	118.8°	119.8°
C6	C7	H7	120.9°	119.8°
C7	C8	N9	127.1°	130.7°
C8	C7	H7	120.9°	119.9°
C8	N9	C10	110.4°	112.3°
C8	N9	H9	124.8°	123.9°
N9	C10	O11	129.0°	126.4°
C10	N9	H9	124.8°	123.8°
C13	C12	C17	121.7°	119.8°
C12	C13	C14	115.8°	119.9°
C12	C13	H13	122.1°	120.1°
C12	C17	C16	116.9°	119.9°
C12	C17	H17	121.5°	120.1°
C13	C14	C15	121.7°	120.1°
C14	C13	H13	122.1°	120.0°
C13	C14	H14	119.2°	120.0°
C14	C15	C16	122.9°	120.2°
C14	C15	F18	114.5°	119.9°
C15	C14	H14	119.1°	119.9°
C16	C15	F18	122.6°	119.9°
C15	C16	C17	120.9°	120.1°
C15	C16	H16	119.6°	120.0°
C16	C17	H17	121.5°	120.1°
C17	C16	H16	119.6°	119.9°
H11C	C1	H12C	109.5°	109.5°
H11C	C1	H13C	109.5°	109.5°
H12C	C1	H13C	109.5°	109.4°
H191	C19	H192	109.5°	109.4°
H191	C19	H193	109.5°	109.5°
H192	C19	H193	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	C10	125.1°	118.6°
C1	C2	C3	C19	132.6°	122.6°
C1	C2	C10	C19	128.9°	122.6°
C1	C2	C3	C4	54.3°	61.4°
C1	C2	C3	C8	125.5°	118.7°
C1	C2	C10	N9	123.5°	118.7°
C1	C2	C10	O11	56.5°	61.4°
C2	C1	H11C	H12C	120.0°	120.0°
C2	C1	H11C	H13C	120.0°	120.0°
C2	C1	H12C	H13C	120.0°	120.0°
C1	C2	C19	H191	180.0°	60.7°
C1	C2	C19	H192	60.0°	179.3°
C1	C2	C19	H193	60.0°	59.3°
C3	C2	C10	C19	107.7°	118.7°
C2	C3	C4	C8	179.8°	180.0°
C2	C3	C4	C5	179.6°	180.0°
C2	C3	C8	C7	179.8°	180.0°
C2	C3	C8	N9	0.7°	0.0°
C3	C2	C10	N9	0.1°	0.0°
C3	C2	C10	O11	179.9°	180.0°
C3	C2	C1	H11C	180.0°	60.0°
C3	C2	C1	H12C	60.0°	180.0°
C3	C2	C1	H13C	60.0°	60.0°
C3	C2	C19	H191	52.1°	61.9°
C3	C2	C19	H192	172.2°	58.1°
C3	C2	C19	H193	67.9°	178.1°
C2	C3	C4	H4	0.4°	0.0°
C10	C2	C3	C4	179.4°	180.0°
C10	C2	C3	C8	0.4°	0.0°
C2	C10	N9	C8	0.4°	0.0°
C2	C10	N9	O11	180.0°	180.0°
C10	C2	C1	H11C	61.0°	174.7°
C10	C2	C1	H12C	59.0°	65.3°
C10	C2	C1	H13C	179.0°	54.6°
C10	C2	C19	H191	55.0°	176.6°
C10	C2	C19	H192	65.1°	56.7°
C10	C2	C19	H193	175.0°	63.3°
C2	C10	N9	H9	179.7°	180.0°
C19	C2	C3	C4	78.3°	61.2°
C19	C2	C3	C8	101.9°	118.8°
C19	C2	C10	N9	107.6°	118.7°
C19	C2	C10	O11	72.4°	61.3°
C19	C2	C1	H11C	55.5°	62.6°
C19	C2	C1	H12C	175.6°	57.4°
C19	C2	C1	H13C	64.5°	177.4°
C2	C19	H191	H192	120.0°	120.0°
C2	C19	H191	H193	120.0°	120.1°
C2	C19	H192	H193	120.0°	120.1°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	0.7°	0.0°
C3	C4	C5	C12	179.4°	180.0°
C4	C3	C8	C7	0.1°	0.0°
C4	C3	C8	N9	179.2°	180.0°
C8	C3	C4	C5	0.6°	0.0°
C3	C8	C7	C6	0.6°	0.0°
C3	C8	C7	N9	179.0°	180.0°
C3	C8	N9	C10	0.7°	0.0°
C8	C3	C4	H4	179.4°	180.0°
C3	C8	C7	H7	179.4°	180.0°
C3	C8	N9	H9	179.4°	180.0°
C4	C5	C6	C12	179.9°	180.0°
C4	C5	C6	C7	0.2°	0.0°
C4	C5	C12	C13	47.2°	180.0°
C4	C5	C12	C17	132.3°	0.3°
C4	C5	C6	H6	179.8°	179.9°
C5	C6	C7	H6	180.0°	179.9°
C5	C6	C7	C8	0.4°	0.0°
C6	C5	C12	C13	132.9°	0.0°
C6	C5	C12	C17	47.6°	179.7°
C6	C5	C4	H4	179.3°	180.0°
C5	C6	C7	H7	179.5°	180.0°
C12	C5	C6	C7	179.9°	180.0°
C5	C12	C13	C17	179.5°	179.7°
C5	C12	C13	C14	179.4°	180.0°
C5	C12	C17	C16	179.0°	179.7°
C12	C5	C4	H4	0.6°	0.0°
C12	C5	C6	H6	0.1°	0.1°
C5	C12	C13	H13	0.6°	0.1°
C5	C12	C17	H17	1.0°	0.0°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C8	N9	179.5°	180.0°
C7	C8	N9	C10	179.7°	180.0°
C8	C7	C6	H6	179.5°	179.9°
C7	C8	N9	H9	0.3°	0.0°
C8	N9	C10	H9	180.0°	180.0°
C8	N9	C10	O11	179.6°	180.0°
N9	C8	C7	H7	0.5°	0.0°
O11	C10	N9	H9	0.3°	0.1°
C12	C13	C14	H13	180.0°	179.9°
C12	C13	C14	C15	0.4°	0.0°
C13	C12	C17	C16	0.5°	0.6°
C13	C12	C17	H17	179.5°	179.8°
C12	C13	C14	H14	179.6°	180.0°
C17	C12	C13	C14	0.1°	0.3°
C12	C17	C16	C15	1.0°	0.6°
C12	C17	C16	H17	180.0°	179.6°
C17	C12	C13	H13	179.9°	179.8°
C12	C17	C16	H16	179.0°	179.7°
C13	C14	C15	H14	180.0°	180.0°
C13	C14	C15	C16	1.0°	0.0°
C13	C14	C15	F18	179.7°	180.0°
C14	C15	C16	F18	179.2°	180.0°
C14	C15	C16	C17	1.4°	0.3°
C15	C14	C13	H13	179.6°	179.9°
C14	C15	C16	H16	178.7°	180.0°
C15	C16	C17	H16	180.0°	179.7°
C15	C16	C17	H17	179.0°	179.8°
C16	C15	C14	H14	179.0°	180.0°
F18	C15	C16	C17	179.5°	179.7°
F18	C15	C14	H14	0.3°	0.0°
F18	C15	C16	H16	0.5°	0.1°
H11C	C1	H12C	H13C	120.0°	120.0°
H191	C19	H192	H193	120.0°	119.9°
H6	C6	C7	H7	0.5°	0.1°
H13	C13	C14	H14	0.4°	0.1°
H17	C17	C16	H16	1.0°	0.0°

Release date:	2015-05-13
Definition date:	2015-03-08
Last modified:	2015-05-08
Release status:	REL
Processing site:	EBI
Derived from:	5ALN