A6Z

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C1	doub	1.38Å	1.38Å	Aromatic
C6	C5	sing	1.38Å	1.54Å	Aromatic
C1	C2	sing	1.38Å	1.54Å	Aromatic
CL1	C5	sing	1.74Å	1.71Å
C5	C4	doub	1.38Å	1.38Å	Aromatic
C2	C3	doub	1.39Å	1.39Å	Aromatic
C4	C3	sing	1.39Å	1.51Å	Aromatic
C3	N1	sing	1.40Å	1.41Å
C7	N1	sing	1.47Å	1.44Å
C7	C8	sing	1.53Å	1.50Å
N1	C10	sing	1.47Å	1.41Å
C8	N2	sing	1.47Å	1.41Å
C10	C9	sing	1.53Å	1.53Å
C9	N2	sing	1.47Å	1.41Å
N2	C11	sing	1.47Å	1.44Å
C11	C12	sing	1.47Å	1.54Å
C12	N3	trip	1.14Å	1.15Å
C11	H1	sing	1.09Å	1.10Å
C11	H2	sing	1.09Å	1.10Å
C10	H3	sing	1.09Å	1.10Å
C10	H4	sing	1.09Å	1.10Å
C9	H5	sing	1.09Å	1.10Å
C9	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C7	H9	sing	1.09Å	1.10Å
C7	H10	sing	1.09Å	1.10Å
C4	H11	sing	1.08Å	1.08Å
C6	H12	sing	1.08Å	1.08Å
C2	H13	sing	1.08Å	1.08Å
C1	H14	sing	1.08Å	1.08Å
N2	H15	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C6	C5	119.8°	120.1°
C6	C1	C2	119.8°	120.1°
C1	C6	H12	120.1°	119.9°
C6	C1	H14	120.1°	120.0°
C6	C5	CL1	124.2°	120.0°
C6	C5	C4	120.1°	120.0°
C5	C6	H12	120.1°	120.0°
C1	C2	C3	119.8°	120.0°
C1	C2	H13	120.1°	120.0°
C2	C1	H14	120.1°	119.9°
CL1	C5	C4	115.7°	120.0°
C5	C4	C3	120.2°	119.9°
C5	C4	H11	119.9°	120.0°
C2	C3	C4	120.4°	119.8°
C2	C3	N1	124.4°	120.1°
C3	C2	H13	120.1°	120.0°
C4	C3	N1	115.2°	120.1°
C3	C4	H11	119.9°	120.1°
C3	N1	C7	112.3°	111.0°
C3	N1	C10	122.7°	111.0°
N1	C7	C8	115.0°	109.3°
C7	N1	C10	125.0°	110.8°
N1	C7	H9	108.1°	109.5°
N1	C7	H10	108.1°	109.5°
C7	C8	N2	113.4°	109.5°
C7	C8	H7	108.5°	109.5°
C7	C8	H8	108.5°	109.4°
C8	C7	H9	108.1°	109.5°
C8	C7	H10	108.1°	109.5°
N1	C10	C9	112.7°	109.3°
N1	C10	H3	108.6°	109.5°
N1	C10	H4	108.7°	109.5°
C8	N2	C9	114.1°	109.5°
C8	N2	C11	108.2°	109.4°
N2	C8	H7	108.5°	109.5°
N2	C8	H8	108.5°	109.4°
C8	N2	H15	109.5°	109.4°
C10	C9	N2	116.8°	109.5°
C9	C10	H3	108.7°	109.5°
C9	C10	H4	108.6°	109.5°
C10	C9	H5	107.6°	109.5°
C10	C9	H6	107.6°	109.4°
C9	N2	C11	106.2°	109.5°
N2	C9	H5	107.6°	109.5°
N2	C9	H6	107.6°	109.5°
C9	N2	H15	109.5°	109.4°
N2	C11	C12	105.9°	109.5°
N2	C11	H1	110.3°	109.5°
N2	C11	H2	110.4°	109.5°
C11	N2	H15	109.1°	109.5°
C11	C12	N3	173.8°	179.9°
C12	C11	H1	110.4°	109.4°
C12	C11	H2	110.4°	109.5°
H1	C11	H2	109.5°	109.4°
H3	C10	H4	109.5°	109.5°
H5	C9	H6	109.5°	109.5°
H7	C8	H8	109.5°	109.5°
H9	C7	H10	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C6	C5	H12	180.0°	179.9°
C6	C1	C2	H14	180.0°	179.7°
C1	C6	C5	CL1	179.8°	180.0°
C1	C6	C5	C4	0.1°	0.0°
C6	C1	C2	C3	0.7°	0.5°
C6	C1	C2	H13	179.3°	180.0°
C5	C6	C1	C2	0.1°	0.3°
C6	C5	CL1	C4	179.8°	180.0°
C6	C5	C4	C3	0.4°	0.0°
C6	C5	C4	H11	179.6°	179.7°
C5	C6	C1	H14	180.0°	180.0°
C1	C2	C3	H13	180.0°	179.5°
C1	C2	C3	C4	1.2°	0.5°
C1	C2	C3	N1	179.4°	179.5°
C2	C1	C6	H12	179.9°	179.8°
CL1	C5	C4	C3	179.7°	180.0°
CL1	C5	C4	H11	0.3°	0.3°
CL1	C5	C6	H12	0.2°	0.1°
C5	C4	C3	C2	1.1°	0.2°
C5	C4	C3	H11	180.0°	179.7°
C5	C4	C3	N1	179.5°	179.7°
C4	C5	C6	H12	180.0°	179.9°
C2	C3	C4	N1	178.4°	179.9°
C2	C3	N1	C7	158.3°	0.1°
C2	C3	N1	C10	20.7°	123.6°
C2	C3	C4	H11	178.9°	179.9°
C3	C2	C1	H14	179.3°	179.8°
C4	C3	N1	C7	20.0°	180.0°
C4	C3	N1	C10	161.0°	56.3°
C4	C3	C2	H13	178.8°	180.0°
C3	N1	C7	C10	179.0°	123.9°
C3	N1	C7	C8	172.6°	177.5°
C3	N1	C10	C9	166.9°	177.6°
C3	N1	C10	H3	46.4°	57.6°
C3	N1	C10	H4	72.7°	62.4°
C3	N1	C7	H9	66.6°	62.5°
C3	N1	C7	H10	51.8°	57.6°
N1	C3	C4	H11	0.5°	0.0°
N1	C3	C2	H13	0.6°	0.1°
N1	C7	C8	H9	120.8°	120.0°
N1	C7	C8	H10	120.8°	119.9°
N1	C7	C8	N2	26.0°	59.2°
C7	N1	C10	C9	14.3°	58.6°
C7	N1	C10	H3	134.8°	178.6°
C7	N1	C10	H4	106.2°	61.4°
N1	C7	C8	H7	94.6°	60.8°
N1	C7	C8	H8	146.6°	179.2°
N1	C7	H9	H10	117.5°	120.1°
C8	C7	N1	C10	8.4°	58.6°
C7	C8	N2	H7	120.6°	120.0°
C7	C8	N2	H8	120.6°	119.9°
C7	C8	N2	C9	54.5°	60.8°
C7	C8	N2	C11	172.5°	179.2°
C7	C8	H7	H8	118.2°	120.0°
C8	C7	H9	H10	117.5°	120.1°
C7	C8	N2	H15	68.7°	59.2°
N1	C10	C9	H3	120.5°	120.0°
N1	C10	C9	H4	120.5°	120.0°
N1	C10	C9	N2	14.2°	59.2°
N1	C10	H3	H4	118.5°	120.0°
N1	C10	C9	H5	135.3°	179.2°
N1	C10	C9	H6	106.8°	60.8°
C10	N1	C7	H9	112.4°	61.4°
C10	N1	C7	H10	129.3°	178.5°
C8	N2	C9	C10	49.0°	60.7°
C8	N2	C9	C11	119.1°	120.0°
C8	N2	C9	H15	123.2°	120.0°
C8	N2	C11	H15	119.1°	120.0°
C8	N2	C11	C12	140.1°	65.0°
C8	N2	C11	H1	100.4°	55.0°
C8	N2	C11	H2	20.7°	175.0°
C8	N2	C9	H5	170.1°	179.2°
C8	N2	C9	H6	72.0°	59.2°
N2	C8	H7	H8	118.2°	120.0°
N2	C8	C7	H9	146.8°	60.7°
N2	C8	C7	H10	94.9°	179.2°
C10	C9	N2	H5	121.1°	120.0°
C10	C9	N2	H6	121.0°	120.0°
C10	C9	N2	C11	168.1°	179.3°
C9	C10	H3	H4	118.5°	120.1°
C10	C9	H5	H6	116.7°	120.0°
C10	C9	N2	H15	74.1°	59.2°
C9	N2	C11	H15	118.0°	120.0°
C9	N2	C11	C12	96.9°	175.0°
C9	N2	C11	H1	22.5°	65.0°
C9	N2	C11	H2	143.6°	55.0°
N2	C9	C10	H3	106.3°	179.2°
N2	C9	C10	H4	134.7°	60.8°
N2	C9	H5	H6	116.7°	120.0°
C9	N2	C8	H7	66.1°	59.3°
C9	N2	C8	H8	175.1°	179.3°
N2	C11	C12	H1	119.4°	120.0°
N2	C11	C12	H2	119.4°	120.0°
N2	C11	C12	N3	117.9°	16.9°
N2	C11	H1	H2	121.6°	120.0°
C11	N2	C9	H5	70.8°	59.2°
C11	N2	C9	H6	47.1°	60.8°
C11	N2	C8	H7	51.9°	60.7°
C11	N2	C8	H8	66.9°	59.3°
C12	C11	H1	H2	121.7°	120.0°
C12	C11	N2	H15	21.0°	55.0°
N3	C12	C11	H1	1.6°	136.9°
N3	C12	C11	H2	122.7°	103.1°
H1	C11	N2	H15	140.5°	175.0°
H2	C11	N2	H15	98.4°	65.0°
H3	C10	C9	H5	14.8°	60.8°
H3	C10	C9	H6	132.7°	59.2°
H4	C10	C9	H5	104.2°	59.3°
H4	C10	C9	H6	13.7°	179.2°
H5	C9	N2	H15	46.9°	60.8°
H6	C9	N2	H15	164.8°	179.2°
H7	C8	C7	H9	26.2°	179.2°
H7	C8	C7	H10	144.5°	59.1°
H7	C8	N2	H15	170.7°	179.3°
H8	C8	C7	H9	92.7°	59.2°
H8	C8	C7	H10	25.7°	60.9°
H8	C8	N2	H15	51.9°	60.7°
H12	C6	C1	H14	0.0°	0.1°
H13	C2	C1	H14	0.7°	0.2°

Release date:	2017-11-01
Definition date:	2017-08-16
Last modified:	2017-10-27
Release status:	REL
Processing site:	EBI
Derived from:	5OS0