0TZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C9	C10	doub	1.36Å	1.40Å	Aromatic
C9	C8	sing	1.40Å	1.40Å	Aromatic
C10	C5	sing	1.41Å	1.40Å	Aromatic
C8	C7	doub	1.35Å	1.40Å	Aromatic
C5	N6	doub	1.33Å	1.34Å	Aromatic
C5	N5	sing	1.37Å	1.41Å	Aromatic
N6	C6	sing	1.33Å	1.34Å	Aromatic
C7	N5	sing	1.36Å	1.41Å	Aromatic
N8	N9	sing	1.40Å	1.24Å	Aromatic
N8	C11	sing	1.36Å	1.33Å	Aromatic
N5	C4	sing	1.38Å	1.39Å	Aromatic
N9	C12	doub	1.31Å	1.33Å	Aromatic
C6	C4	doub	1.39Å	1.39Å	Aromatic
C6	N7	sing	1.39Å	1.34Å
C4	C3	sing	1.47Å	1.39Å
C11	N7	sing	1.39Å	1.34Å
C11	C13	doub	1.36Å	1.32Å	Aromatic
C12	C13	sing	1.40Å	1.33Å	Aromatic
C3	N3	doub	1.34Å	1.35Å	Aromatic
C3	N1	sing	1.34Å	1.34Å	Aromatic
N3	C2	sing	1.33Å	1.35Å	Aromatic
N1	C1	doub	1.32Å	1.34Å	Aromatic
C2	N4	sing	1.38Å	1.33Å
C2	N2	doub	1.33Å	1.34Å	Aromatic
C1	N2	sing	1.32Å	1.34Å	Aromatic
C1	C14	sing	1.51Å	1.52Å
N8	H1	sing	0.97Å	1.00Å
C12	H2	sing	1.08Å	1.08Å
C13	H3	sing	1.08Å	1.08Å
N7	H4	sing	0.97Å	1.00Å
C10	H5	sing	1.08Å	1.08Å
C9	H6	sing	1.08Å	1.08Å
C8	H7	sing	1.08Å	1.08Å
C7	H8	sing	1.08Å	1.08Å
C14	H9	sing	1.09Å	1.10Å
C14	H10	sing	1.09Å	1.10Å
C14	H11	sing	1.09Å	1.10Å
N4	H12	sing	0.97Å	1.00Å
N4	H13	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C9	C8	120.4°	119.6°
C9	C10	C5	120.3°	119.4°
C9	C10	H5	119.9°	120.3°
C10	C9	H6	119.8°	120.2°
C9	C8	C7	120.2°	120.1°
C8	C9	H6	119.8°	120.2°
C9	C8	H7	119.9°	120.0°
C10	C5	N6	131.6°	131.7°
C10	C5	N5	119.4°	119.5°
C5	C10	H5	119.9°	120.3°
C8	C7	N5	119.5°	120.7°
C7	C8	H7	119.9°	119.9°
C8	C7	H8	120.3°	119.7°
N6	C5	N5	108.9°	108.7°
C5	N6	C6	109.3°	109.7°
C5	N5	C7	120.2°	120.6°
C5	N5	C4	105.5°	107.1°
N6	C6	C4	109.0°	108.1°
N6	C6	N7	126.3°	126.0°
C7	N5	C4	134.3°	132.3°
N5	C7	H8	120.2°	119.7°
N9	N8	C11	108.6°	107.8°
N8	N9	C12	109.6°	108.4°
N9	N8	H1	125.7°	126.1°
N8	C11	N7	126.8°	126.3°
N8	C11	C13	108.9°	107.5°
C11	N8	H1	125.7°	126.1°
N5	C4	C6	107.3°	106.4°
N5	C4	C3	127.1°	126.8°
N9	C12	C13	108.0°	108.4°
N9	C12	H2	126.0°	125.7°
C4	C6	N7	124.7°	126.0°
C6	C4	C3	125.6°	126.8°
C6	N7	C11	124.6°	120.0°
C6	N7	H4	117.7°	120.0°
C4	C3	N3	121.7°	120.1°
C4	C3	N1	118.8°	120.1°
N7	C11	C13	124.3°	126.3°
C11	N7	H4	117.7°	120.0°
C11	C13	C12	105.0°	107.9°
C11	C13	H3	127.5°	126.1°
C13	C12	H2	126.0°	125.8°
C12	C13	H3	127.5°	126.1°
N3	C3	N1	119.5°	119.8°
C3	N3	C2	119.9°	119.7°
C3	N1	C1	120.3°	120.0°
N3	C2	N4	120.0°	120.0°
N3	C2	N2	120.4°	120.0°
N1	C1	N2	120.5°	120.3°
N1	C1	C14	118.6°	119.9°
N4	C2	N2	119.6°	120.0°
C2	N4	H12	109.5°	120.1°
C2	N4	H13	109.5°	120.0°
C2	N2	C1	119.3°	120.3°
N2	C1	C14	120.9°	119.9°
C1	C14	H9	109.5°	109.5°
C1	C14	H10	109.5°	109.5°
C1	C14	H11	109.5°	109.5°
H9	C14	H10	109.5°	109.5°
H9	C14	H11	109.5°	109.4°
H10	C14	H11	109.5°	109.5°
H12	N4	H13	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C9	C8	H6	180.0°	179.9°
C9	C10	C5	H5	180.0°	180.0°
C10	C9	C8	C7	0.1°	0.1°
C9	C10	C5	N6	180.0°	179.9°
C9	C10	C5	N5	0.0°	0.0°
C10	C9	C8	H7	179.9°	180.0°
C8	C9	C10	C5	0.0°	0.0°
C9	C8	C7	H7	180.0°	179.9°
C9	C8	C7	N5	0.2°	0.1°
C8	C9	C10	H5	180.0°	180.0°
C9	C8	C7	H8	179.8°	180.0°
C10	C5	N6	N5	180.0°	179.9°
C10	C5	N6	C6	179.9°	180.0°
C10	C5	N5	C7	0.0°	0.0°
C10	C5	N5	C4	179.8°	180.0°
C5	C10	C9	H6	180.0°	180.0°
C8	C7	N5	C5	0.1°	0.1°
C8	C7	N5	H8	180.0°	180.0°
C8	C7	N5	C4	179.6°	180.0°
C7	C8	C9	H6	179.9°	180.0°
N6	C5	N5	C7	179.9°	180.0°
N6	C5	N5	C4	0.3°	0.0°
C5	N6	C6	C4	0.5°	0.1°
C5	N6	C6	N7	179.9°	179.8°
N6	C5	C10	H5	0.0°	0.1°
N5	C5	N6	C6	0.1°	0.1°
C5	N5	C7	C4	179.7°	180.0°
C5	N5	C4	C6	0.5°	0.0°
C5	N5	C4	C3	179.4°	179.7°
N5	C5	C10	H5	180.0°	180.0°
C5	N5	C7	H8	179.8°	180.0°
N6	C6	C4	N5	0.6°	0.0°
N6	C6	C4	N7	179.5°	179.7°
N6	C6	C4	C3	179.5°	179.7°
N6	C6	N7	C11	7.7°	0.3°
N6	C6	N7	H4	172.3°	179.7°
C7	N5	C4	C6	179.7°	180.0°
C7	N5	C4	C3	0.9°	0.3°
N5	C7	C8	H7	179.8°	180.0°
N9	N8	C11	H1	180.0°	179.8°
N9	N8	C11	N7	179.5°	180.0°
N9	N8	C11	C13	0.1°	0.0°
N8	N9	C12	C13	0.3°	0.1°
N8	N9	C12	H2	179.8°	180.0°
C11	N8	N9	C12	0.2°	0.1°
N8	C11	N7	C6	1.8°	179.9°
N8	C11	N7	C13	179.5°	180.0°
N8	C11	C13	C12	0.0°	0.0°
N8	C11	C13	H3	180.0°	180.0°
N8	C11	N7	H4	178.2°	0.0°
N5	C4	C6	C3	178.9°	179.7°
N5	C4	C6	N7	179.9°	179.7°
N5	C4	C3	N3	0.7°	0.4°
N5	C4	C3	N1	178.7°	179.4°
C4	N5	C7	H8	0.5°	0.0°
N9	C12	C13	C11	0.2°	0.0°
N9	C12	C13	H2	180.0°	179.9°
C12	N9	N8	H1	179.8°	179.7°
N9	C12	C13	H3	179.8°	180.0°
C4	C6	N7	C11	172.9°	180.0°
C6	C4	C3	N3	179.4°	180.0°
C6	C4	C3	N1	0.0°	0.2°
C4	C6	N7	H4	7.1°	0.0°
N7	C6	C4	C3	1.0°	0.1°
C6	N7	C11	H4	180.0°	180.0°
C6	N7	C11	C13	178.6°	0.1°
C4	C3	N3	N1	179.4°	179.7°
C4	C3	N3	C2	179.5°	180.0°
C4	C3	N1	C1	179.2°	180.0°
N7	C11	C13	C12	179.7°	180.0°
N7	C11	N8	H1	0.5°	0.2°
N7	C11	C13	H3	0.4°	0.0°
C11	C13	C12	H3	180.0°	180.0°
C13	C11	N8	H1	179.9°	179.8°
C11	C13	C12	H2	179.8°	180.0°
C13	C11	N7	H4	1.4°	180.0°
N3	C3	N1	C1	0.2°	0.3°
C3	N3	C2	N4	179.9°	180.0°
C3	N3	C2	N2	0.3°	0.1°
N1	C3	N3	C2	0.1°	0.3°
C3	N1	C1	N2	0.4°	0.0°
C3	N1	C1	C14	179.9°	180.0°
N3	C2	N4	N2	179.8°	179.9°
N3	C2	N2	C1	0.1°	0.2°
N3	C2	N4	H12	0.0°	0.0°
N3	C2	N4	H13	120.0°	180.0°
N1	C1	N2	C2	0.2°	0.2°
N1	C1	N2	C14	179.7°	180.0°
N1	C1	C14	H9	0.0°	90.0°
N1	C1	C14	H10	120.0°	150.0°
N1	C1	C14	H11	120.0°	30.0°
N4	C2	N2	C1	180.0°	179.7°
C2	N4	H12	H13	120.0°	180.0°
C2	N2	C1	C14	179.9°	179.8°
N2	C2	N4	H12	179.8°	180.0°
N2	C2	N4	H13	59.8°	0.0°
N2	C1	C14	H9	179.7°	90.0°
N2	C1	C14	H10	59.7°	30.0°
N2	C1	C14	H11	60.3°	150.0°
C1	C14	H9	H10	120.0°	120.0°
C1	C14	H9	H11	120.0°	120.0°
C1	C14	H10	H11	120.0°	120.0°
H2	C12	C13	H3	0.1°	0.1°
H5	C10	C9	H6	0.0°	0.0°
H6	C9	C8	H7	0.1°	0.1°
H7	C8	C7	H8	0.2°	0.1°
H9	C14	H10	H11	120.0°	120.0°

Definition date:	2012-06-12
Last modified:	2012-07-13
Release status:	REL
Processing site:	RCSB
Derived from:	4FHJ