F1Z

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N2	C12	sing	1.40Å	1.34Å
C12	C11	doub	1.39Å	1.38Å	Aromatic
C12	C13	sing	1.39Å	1.37Å	Aromatic
C11	C10	sing	1.38Å	1.39Å	Aromatic
C13	C14	doub	1.38Å	1.38Å	Aromatic
C10	C9	doub	1.38Å	1.38Å	Aromatic
C14	C9	sing	1.38Å	1.37Å	Aromatic
C9	C8	sing	1.51Å	1.50Å
C8	N1	sing	1.46Å	1.42Å
O2	C4	doub	1.22Å	1.19Å
N1	C4	sing	1.35Å	1.33Å
N1	C5	sing	1.47Å	1.45Å
C4	N	sing	1.35Å	1.30Å
C1	C	sing	1.53Å	1.52Å
C1	O	sing	1.45Å	1.41Å
O1	C2	doub	1.21Å	1.19Å
C5	C6	sing	1.47Å	1.48Å
O	C2	sing	1.34Å	1.43Å
C2	C3	sing	1.51Å	1.50Å
N	C3	sing	1.47Å	1.43Å
C6	C7	trip	1.17Å	1.28Å
N	H1	sing	0.97Å	1.00Å
C3	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C1	H5	sing	1.09Å	1.10Å
C	H6	sing	1.09Å	1.10Å
C	H7	sing	1.09Å	1.10Å
C	H8	sing	1.09Å	1.10Å
C5	H9	sing	1.09Å	1.10Å
C5	H10	sing	1.09Å	1.10Å
C7	H11	sing	1.05Å	1.06Å
C8	H12	sing	1.09Å	1.10Å
C8	H13	sing	1.09Å	1.10Å
C14	H14	sing	1.08Å	1.08Å
C13	H15	sing	1.08Å	1.08Å
N2	H16	sing	0.97Å	1.00Å
N2	H17	sing	0.97Å	1.00Å
C11	H18	sing	1.08Å	1.08Å
C10	H19	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2	C12	C11	119.3°	120.1°
N2	C12	C13	121.4°	120.1°
C12	N2	H16	109.5°	120.0°
C12	N2	H17	109.5°	120.0°
C11	C12	C13	119.3°	119.9°
C12	C11	C10	120.1°	119.9°
C12	C11	H18	120.0°	120.0°
C12	C13	C14	120.9°	119.9°
C12	C13	H15	119.6°	120.0°
C11	C10	C9	119.9°	120.1°
C10	C11	H18	119.9°	120.1°
C11	C10	H19	120.1°	119.9°
C13	C14	C9	119.8°	120.1°
C13	C14	H14	120.1°	120.0°
C14	C13	H15	119.6°	120.1°
C10	C9	C14	120.1°	120.1°
C10	C9	C8	121.0°	119.9°
C9	C10	H19	120.1°	120.0°
C14	C9	C8	118.9°	119.9°
C9	C14	H14	120.1°	119.9°
C9	C8	N1	110.9°	109.5°
C9	C8	H12	109.1°	109.5°
C9	C8	H13	109.1°	109.4°
C8	N1	C4	126.5°	120.0°
C8	N1	C5	110.7°	120.0°
N1	C8	H12	109.1°	109.5°
N1	C8	H13	109.1°	109.5°
O2	C4	N1	125.8°	120.0°
O2	C4	N	118.9°	120.0°
C4	N1	C5	122.8°	120.0°
N1	C4	N	115.3°	120.0°
N1	C5	C6	107.4°	109.5°
N1	C5	H9	110.0°	109.4°
N1	C5	H10	110.0°	109.5°
C4	N	C3	124.8°	120.0°
C4	N	H1	117.6°	120.0°
C	C1	O	105.6°	109.5°
C	C1	H4	110.5°	109.5°
C	C1	H5	110.5°	109.5°
C1	C	H6	109.5°	109.5°
C1	C	H7	109.4°	109.5°
C1	C	H8	109.5°	109.5°
C1	O	C2	124.0°	117.0°
O	C1	H4	110.5°	109.4°
O	C1	H5	110.4°	109.5°
O1	C2	O	122.5°	120.0°
O1	C2	C3	123.0°	120.0°
C5	C6	C7	176.3°	180.0°
C6	C5	H9	110.0°	109.5°
C6	C5	H10	110.0°	109.5°
O	C2	C3	114.4°	120.0°
C2	C3	N	112.5°	109.5°
C2	C3	H2	108.7°	109.5°
C2	C3	H3	108.7°	109.5°
C3	N	H1	117.6°	120.0°
N	C3	H2	108.7°	109.4°
N	C3	H3	108.7°	109.5°
C6	C7	H11	180.0°	179.9°
H2	C3	H3	109.4°	109.4°
H4	C1	H5	109.4°	109.5°
H6	C	H7	109.5°	109.5°
H6	C	H8	109.5°	109.5°
H7	C	H8	109.5°	109.4°
H9	C5	H10	109.4°	109.5°
H12	C8	H13	109.5°	109.4°
H16	N2	H17	109.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2	C12	C11	C13	179.4°	179.7°
N2	C12	C11	C10	178.4°	180.0°
N2	C12	C13	C14	178.9°	179.7°
N2	C12	C13	H15	1.1°	0.3°
C12	N2	H16	H17	120.0°	179.9°
N2	C12	C11	H18	1.6°	0.3°
C12	C11	C10	H18	180.0°	179.8°
C11	C12	C13	C14	0.5°	0.1°
C12	C11	C10	C9	1.2°	0.5°
C11	C12	C13	H15	179.5°	180.0°
C11	C12	N2	H16	180.0°	0.0°
C11	C12	N2	H17	60.0°	180.0°
C12	C11	C10	H19	178.8°	180.0°
C13	C12	C11	C10	1.1°	0.2°
C12	C13	C14	H15	180.0°	179.9°
C12	C13	C14	C9	0.0°	0.1°
C12	C13	C14	H14	180.0°	180.0°
C13	C12	N2	H16	0.6°	179.8°
C13	C12	N2	H17	120.6°	0.3°
C13	C12	C11	H18	178.9°	180.0°
C11	C10	C9	H19	180.0°	179.5°
C11	C10	C9	C14	0.7°	0.5°
C11	C10	C9	C8	178.2°	179.7°
C13	C14	C9	C10	0.1°	0.2°
C13	C14	C9	H14	180.0°	179.9°
C13	C14	C9	C8	177.7°	180.0°
C10	C9	C14	C8	177.6°	179.8°
C10	C9	C8	N1	127.5°	90.2°
C10	C9	C8	H12	112.3°	149.7°
C10	C9	C8	H13	7.2°	29.8°
C10	C9	C14	H14	179.9°	179.7°
C9	C10	C11	H18	178.8°	179.7°
C14	C9	C8	N1	55.0°	89.9°
C14	C9	C8	H12	65.2°	30.1°
C14	C9	C8	H13	175.2°	150.0°
C9	C14	C13	H15	180.0°	180.0°
C14	C9	C10	H19	179.3°	180.0°
C9	C8	N1	H12	120.2°	120.0°
C9	C8	N1	H13	120.2°	120.0°
C9	C8	N1	C4	109.1°	90.0°
C9	C8	N1	C5	72.0°	90.0°
C9	C8	H12	H13	119.3°	119.9°
C8	C9	C14	H14	2.3°	0.1°
C8	C9	C10	H19	1.8°	0.2°
C8	N1	C4	O2	14.6°	0.0°
C8	N1	C4	C5	178.8°	180.0°
C8	N1	C4	N	166.8°	179.8°
C8	N1	C5	C6	100.3°	90.0°
C8	N1	C5	H9	19.4°	30.0°
C8	N1	C5	H10	140.0°	149.9°
N1	C8	H12	H13	119.4°	120.0°
O2	C4	N1	N	178.6°	179.7°
O2	C4	N1	C5	164.2°	180.0°
O2	C4	N	C3	1.6°	0.0°
O2	C4	N	H1	178.4°	180.0°
C4	N1	C5	C6	78.6°	90.0°
N1	C4	N	C3	179.8°	179.7°
N1	C4	N	H1	0.3°	0.3°
C4	N1	C5	H9	161.6°	150.0°
C4	N1	C5	H10	41.0°	30.0°
C4	N1	C8	H12	11.1°	150.0°
C4	N1	C8	H13	130.7°	30.0°
C5	N1	C4	N	14.4°	0.3°
N1	C5	C6	H9	119.7°	120.0°
N1	C5	C6	H10	119.7°	120.0°
N1	C5	C6	C7	3.4°	0.2°
N1	C5	H9	H10	121.0°	120.0°
C5	N1	C8	H12	167.8°	30.0°
C5	N1	C8	H13	48.3°	150.0°
C4	N	C3	C2	70.3°	180.0°
C4	N	C3	H1	180.0°	180.0°
C4	N	C3	H2	169.3°	60.0°
C4	N	C3	H3	50.2°	60.0°
C	C1	O	H4	119.4°	120.0°
C	C1	O	H5	119.4°	120.0°
C	C1	O	C2	168.5°	180.0°
C	C1	H4	H5	121.8°	120.0°
C1	C	H6	H7	120.0°	120.0°
C1	C	H6	H8	120.0°	120.0°
C1	C	H7	H8	120.0°	120.0°
C1	O	C2	O1	6.1°	0.1°
C1	O	C2	C3	173.7°	180.0°
O	C1	H4	H5	121.8°	120.0°
O	C1	C	H6	180.0°	180.0°
O	C1	C	H7	60.0°	60.0°
O	C1	C	H8	60.0°	60.0°
O1	C2	O	C3	179.8°	179.9°
O1	C2	C3	N	26.4°	0.0°
O1	C2	C3	H2	94.1°	120.0°
O1	C2	C3	H3	146.9°	120.0°
C6	C5	H9	H10	120.9°	120.0°
C5	C6	C7	H11	86.6°	172.9°
O	C2	C3	N	153.8°	180.0°
O	C2	C3	H2	85.7°	60.1°
O	C2	C3	H3	33.4°	59.9°
C2	O	C1	H4	72.1°	60.1°
C2	O	C1	H5	49.1°	60.0°
C2	C3	N	H2	120.5°	120.0°
C2	C3	N	H3	120.5°	120.0°
C2	C3	N	H1	109.7°	0.0°
C2	C3	H2	H3	118.6°	120.0°
N	C3	H2	H3	118.6°	120.0°
C7	C6	C5	H9	116.3°	120.1°
C7	C6	C5	H10	123.1°	119.8°
H1	N	C3	H2	10.7°	120.0°
H1	N	C3	H3	129.8°	120.1°
H4	C1	C	H6	60.6°	60.0°
H4	C1	C	H7	59.4°	179.9°
H4	C1	C	H8	179.4°	60.0°
H5	C1	C	H6	60.7°	60.0°
H5	C1	C	H7	179.3°	60.0°
H5	C1	C	H8	59.4°	180.0°
H6	C	H7	H8	120.0°	120.0°
H14	C14	C13	H15	0.0°	0.1°
H18	C11	C10	H19	1.2°	0.2°

Release date:	2018-11-07
Definition date:	2018-05-17
Last modified:	2018-11-02
Release status:	REL
Processing site:	EBI
Derived from:	6GJY