Z2M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	O	sing	1.34Å	1.38Å	Aromatic
C	C12	doub	1.35Å	1.33Å	Aromatic
N	N1	sing	1.40Å	1.36Å	Aromatic
N	C4	doub	1.30Å	1.39Å	Aromatic
O	C1	sing	1.35Å	1.37Å	Aromatic
C1	C2	sing	1.47Å	1.47Å
C1	C11	doub	1.36Å	1.35Å	Aromatic
N1	C5	sing	1.37Å	1.39Å	Aromatic
C2	C3	doub	1.41Å	1.42Å	Aromatic
C2	C7	sing	1.40Å	1.40Å	Aromatic
N2	C5	doub	1.33Å	1.34Å	Aromatic
N2	C6	sing	1.32Å	1.34Å	Aromatic
C3	C4	sing	1.41Å	1.48Å	Aromatic
C3	C5	sing	1.41Å	1.47Å	Aromatic
C4	C8	sing	1.51Å	1.50Å
C6	C7	doub	1.38Å	1.38Å	Aromatic
C8	C9	sing	1.53Å	1.51Å
C8	C10	sing	1.53Å	1.51Å
C9	C10	sing	1.53Å	1.48Å
C11	C12	sing	1.41Å	1.43Å	Aromatic
C	H	sing	1.08Å	1.08Å
N1	HN1	sing	0.97Å	1.00Å
C6	H6	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C9	H9A	sing	1.09Å	1.10Å
C10	H10	sing	1.09Å	1.10Å
C10	H10A	sing	1.09Å	1.10Å
C11	H11	sing	1.08Å	1.08Å
C12	H12	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	C12	110.7°	108.7°
C	O	C1	106.2°	109.4°
O	C	H	124.7°	125.6°
C	C12	C11	106.8°	107.0°
C12	C	H	124.7°	125.7°
C	C12	H12	126.6°	126.5°
N1	N	C4	109.1°	109.7°
N	N1	C5	110.3°	108.2°
N	N1	HN1	124.9°	125.9°
N	C4	C3	109.1°	108.6°
N	C4	C8	119.8°	125.7°
O	C1	C2	117.2°	125.9°
O	C1	C11	109.8°	108.1°
C2	C1	C11	133.0°	125.9°
C1	C2	C3	122.5°	121.1°
C1	C2	C7	117.8°	121.1°
C1	C11	C12	106.5°	106.7°
C1	C11	H11	126.8°	126.7°
N1	C5	N2	126.6°	133.4°
N1	C5	C3	108.8°	106.4°
C5	N1	HN1	124.9°	125.9°
C3	C2	C7	119.7°	117.8°
C2	C3	C4	142.6°	133.9°
C2	C3	C5	114.7°	118.9°
C2	C7	C6	119.8°	119.4°
C2	C7	H7	120.1°	120.3°
C5	N2	C6	117.0°	122.0°
N2	C5	C3	124.6°	120.2°
N2	C6	C7	124.2°	121.6°
N2	C6	H6	117.9°	119.1°
C4	C3	C5	102.7°	107.2°
C3	C4	C8	131.1°	125.8°
C4	C8	C9	122.4°	117.5°
C4	C8	C10	120.6°	117.6°
C4	C8	H8	114.7°	115.6°
C7	C6	H6	117.9°	119.2°
C6	C7	H7	120.1°	120.3°
C9	C8	C10	58.6°	60.0°
C8	C9	C10	60.7°	60.0°
C9	C8	H8	114.6°	117.4°
C8	C9	H9	119.9°	117.5°
C8	C9	H9A	119.9°	117.4°
C8	C10	C9	60.7°	60.0°
C10	C8	H8	114.6°	117.5°
C8	C10	H10	119.9°	117.4°
C8	C10	H10A	119.9°	117.5°
C10	C9	H9	119.9°	117.5°
C10	C9	H9A	119.9°	117.5°
C9	C10	H10	119.9°	117.5°
C9	C10	H10A	119.9°	117.5°
C12	C11	H11	126.7°	126.6°
C11	C12	H12	126.6°	126.5°
H9	C9	H9A	109.5°	115.6°
H10	C10	H10A	109.5°	115.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	C12	H	180.0°	179.6°
C	O	C1	C2	178.0°	180.0°
C	O	C1	C11	0.1°	0.0°
O	C	C12	C11	0.1°	0.1°
O	C	C12	H12	179.9°	180.0°
C12	C	O	C1	0.0°	0.1°
C	C12	C11	C1	0.1°	0.0°
C	C12	C11	H12	180.0°	180.0°
C	C12	C11	H11	179.9°	180.0°
N	N1	C5	HN1	180.0°	180.0°
N	N1	C5	N2	178.9°	179.9°
N1	N	C4	C3	0.3°	0.0°
N	N1	C5	C3	0.1°	0.0°
N1	N	C4	C8	177.7°	180.0°
C4	N	N1	C5	0.1°	0.0°
N	C4	C3	C2	178.4°	179.9°
N	C4	C3	C8	177.7°	180.0°
N	C4	C3	C5	0.3°	0.0°
N	C4	C8	C9	18.8°	60.0°
N	C4	C8	C10	51.2°	8.6°
C4	N	N1	HN1	179.9°	180.0°
N	C4	C8	H8	165.3°	154.3°
O	C1	C2	C11	177.5°	179.9°
O	C1	C2	C3	155.9°	50.0°
O	C1	C2	C7	22.5°	129.9°
O	C1	C11	C12	0.1°	0.0°
C1	O	C	H	180.0°	179.7°
O	C1	C11	H11	179.9°	180.0°
C1	C2	C3	C7	178.4°	180.0°
C1	C2	C3	C4	0.2°	0.0°
C1	C2	C3	C5	178.1°	180.0°
C1	C2	C7	C6	178.1°	180.0°
C2	C1	C11	C12	177.5°	179.9°
C1	C2	C7	H7	1.9°	0.0°
C2	C1	C11	H11	2.5°	0.0°
C11	C1	C2	C3	26.6°	130.0°
C11	C1	C2	C7	154.9°	50.0°
C1	C11	C12	H11	180.0°	180.0°
C1	C11	C12	H12	179.9°	180.0°
N1	C5	C3	C2	179.0°	180.0°
N1	C5	N2	C3	178.9°	179.9°
N1	C5	N2	C6	179.0°	180.0°
N1	C5	C3	C4	0.3°	0.0°
C2	C3	C5	N2	0.1°	0.1°
C2	C3	C4	C5	178.1°	179.9°
C2	C3	C4	C8	0.7°	0.0°
C3	C2	C7	C6	0.4°	0.0°
C3	C2	C7	H7	179.6°	180.0°
C2	C7	C6	N2	0.3°	0.0°
C7	C2	C3	C4	178.2°	180.0°
C7	C2	C3	C5	0.3°	0.1°
C2	C7	C6	H7	180.0°	180.0°
C2	C7	C6	H6	179.7°	180.0°
N2	C5	C3	C4	178.8°	179.9°
C5	N2	C6	C7	0.0°	0.1°
N2	C5	N1	HN1	1.1°	0.1°
C5	N2	C6	H6	180.0°	180.0°
C6	N2	C5	C3	0.1°	0.1°
N2	C6	C7	H6	180.0°	179.9°
N2	C6	C7	H7	179.7°	180.0°
C3	C4	C8	C9	163.7°	120.0°
C3	C4	C8	C10	126.3°	171.4°
C3	C4	C8	H8	17.2°	25.6°
C5	C3	C4	C8	177.3°	180.0°
C3	C5	N1	HN1	179.9°	180.0°
C4	C8	C9	C10	108.6°	107.5°
C4	C8	C9	H8	146.5°	145.0°
C4	C8	C10	H8	143.5°	145.1°
C4	C8	C9	H9	141.7°	145.0°
C4	C8	C9	H9A	1.1°	0.0°
C4	C8	C10	H10	2.0°	0.1°
C4	C8	C10	H10A	138.7°	145.0°
C9	C8	C10	H8	104.9°	107.4°
C8	C9	C10	H9	109.7°	107.5°
C8	C9	C10	H9A	109.7°	107.4°
C8	C9	H9	H9A	144.3°	145.7°
C9	C8	C10	H10	109.6°	107.5°
C9	C8	C10	H10A	109.7°	107.5°
C8	C10	H10	H10A	144.4°	145.6°
C10	C9	H9	H9A	144.3°	145.7°
C9	C10	H10	H10A	144.4°	145.8°
C11	C12	C	H	179.9°	179.7°
H	C	C12	H12	0.1°	0.3°
H6	C6	C7	H7	0.3°	0.1°
H8	C8	C9	H9	4.8°	0.0°
H8	C8	C9	H9A	145.5°	145.0°
H8	C8	C10	H10	145.5°	145.0°
H8	C8	C10	H10A	4.8°	0.1°
H9	C9	C10	H10	140.7°	145.1°
H9	C9	C10	H10A	0.0°	0.0°
H9A	C9	C10	H10	0.0°	0.0°
H9A	C9	C10	H10A	140.7°	145.1°
H11	C11	C12	H12	0.1°	0.0°

Release date:	2013-06-26
Definition date:	2012-10-08
Last modified:	2013-06-21
Release status:	REL
Processing site:	EBI
Derived from:	4BDJ