9XC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O3	C11	doub	1.22Å	1.21Å
N9	C9	sing	1.38Å	1.35Å
N7	C12	doub	1.30Å	1.33Å
C11	N6	sing	1.35Å	1.34Å
C11	C8	sing	1.47Å	1.50Å
C9	C8	doub	1.41Å	1.40Å	Aromatic
C9	N4	sing	1.33Å	1.34Å	Aromatic
C12	N6	sing	1.38Å	1.33Å
C12	N8	sing	1.38Å	1.26Å
C8	N3	sing	1.33Å	1.37Å	Aromatic
N4	C10	doub	1.32Å	1.35Å	Aromatic
N3	C1	doub	1.32Å	1.36Å	Aromatic
C10	C1	sing	1.41Å	1.41Å	Aromatic
C10	N5	sing	1.38Å	1.36Å
C1	C2	sing	1.48Å	1.51Å
O2	C7	sing	1.43Å	1.43Å
O2	C5	sing	1.35Å	1.37Å
C2	C5	doub	1.41Å	1.40Å	Aromatic
C2	C3	sing	1.40Å	1.40Å	Aromatic
C5	N2	sing	1.33Å	1.37Å	Aromatic
C3	N1	doub	1.32Å	1.36Å	Aromatic
N2	C4	doub	1.32Å	1.36Å	Aromatic
N1	C4	sing	1.32Å	1.37Å	Aromatic
C4	O1	sing	1.35Å	1.38Å
O1	C6	sing	1.43Å	1.43Å
C3	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
N8	H5	sing	0.97Å	1.00Å
N8	H6	sing	0.97Å	1.00Å
N6	H7	sing	0.97Å	1.00Å
N7	H8	sing	0.97Å	1.00Å
N9	H9	sing	0.97Å	1.00Å
N9	H10	sing	0.97Å	1.00Å
N5	H11	sing	0.97Å	1.00Å
N5	H12	sing	0.97Å	1.00Å
C7	H13	sing	1.09Å	1.10Å
C7	H14	sing	1.09Å	1.10Å
C7	H15	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O3	C11	N6	124.7°	120.0°
O3	C11	C8	118.0°	120.0°
N9	C9	C8	124.0°	119.9°
N9	C9	N4	117.2°	120.1°
C9	N9	H9	109.5°	120.0°
C9	N9	H10	109.4°	120.0°
N7	C12	N6	120.8°	120.0°
N7	C12	N8	120.7°	120.0°
C12	N7	H8	112.0°	120.0°
N6	C11	C8	117.2°	120.0°
C11	N6	C12	126.9°	120.0°
C11	N6	H7	116.6°	120.0°
C11	C8	C9	122.3°	120.1°
C11	C8	N3	117.5°	120.0°
C8	C9	N4	118.8°	120.0°
C9	C8	N3	120.2°	119.9°
C9	N4	C10	121.3°	120.0°
N6	C12	N8	118.6°	120.0°
C12	N6	H7	116.5°	120.0°
C12	N8	H5	120.0°	120.0°
C12	N8	H6	120.0°	120.0°
C8	N3	C1	121.2°	120.0°
N4	C10	C1	120.8°	120.0°
N4	C10	N5	115.5°	120.0°
N3	C1	C10	117.6°	120.0°
N3	C1	C2	119.9°	120.0°
C1	C10	N5	123.7°	119.9°
C10	C1	C2	122.5°	120.0°
C10	N5	H11	109.5°	120.0°
C10	N5	H12	109.4°	119.9°
C1	C2	C5	120.9°	120.9°
C1	C2	C3	121.9°	120.9°
C7	O2	C5	119.6°	117.0°
O2	C7	H13	109.5°	109.5°
O2	C7	H14	109.5°	109.5°
O2	C7	H15	109.5°	109.4°
O2	C5	C2	119.7°	120.5°
O2	C5	N2	119.6°	120.6°
C5	C2	C3	117.1°	118.2°
C2	C5	N2	120.7°	118.9°
C2	C3	N1	120.6°	119.1°
C2	C3	H1	119.7°	120.5°
C5	N2	C4	120.9°	120.8°
C3	N1	C4	121.5°	121.0°
N1	C3	H1	119.7°	120.5°
N2	C4	N1	119.2°	122.0°
N2	C4	O1	120.3°	119.0°
N1	C4	O1	120.5°	119.0°
C4	O1	C6	122.3°	117.0°
O1	C6	H2	109.5°	109.5°
O1	C6	H3	109.5°	109.4°
O1	C6	H4	109.5°	109.5°
H2	C6	H3	109.5°	109.4°
H2	C6	H4	109.5°	109.5°
H3	C6	H4	109.5°	109.5°
H5	N8	H6	120.0°	120.0°
H9	N9	H10	109.5°	120.0°
H11	N5	H12	109.5°	120.0°
H13	C7	H14	109.5°	109.5°
H13	C7	H15	109.5°	109.5°
H14	C7	H15	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O3	C11	N6	C8	179.5°	180.0°
O3	C11	C8	C9	19.5°	6.0°
O3	C11	N6	C12	0.9°	5.3°
O3	C11	C8	N3	159.5°	174.0°
O3	C11	N6	H7	179.1°	174.8°
N9	C9	C8	C11	0.9°	0.3°
N9	C9	C8	N4	178.5°	179.8°
N9	C9	C8	N3	179.9°	179.7°
N9	C9	N4	C10	179.5°	179.7°
C9	N9	H9	H10	120.0°	180.0°
N7	C12	N6	C11	0.1°	5.2°
N7	C12	N6	N8	179.2°	179.9°
N7	C12	N8	H5	179.2°	175.1°
N7	C12	N8	H6	0.8°	5.0°
N7	C12	N6	H7	179.9°	174.7°
N6	C11	C8	C9	160.0°	174.0°
C11	N6	C12	H7	180.0°	179.9°
C11	N6	C12	N8	179.3°	174.8°
N6	C11	C8	N3	21.0°	6.0°
C11	C8	C9	N3	179.0°	180.0°
C11	C8	C9	N4	179.3°	179.9°
C8	C11	N6	C12	179.6°	174.8°
C11	C8	N3	C1	179.7°	180.0°
C8	C11	N6	H7	0.4°	5.1°
C8	C9	N4	C10	0.9°	0.1°
C9	C8	N3	C1	1.3°	0.0°
C8	C9	N9	H9	178.5°	5.8°
C8	C9	N9	H10	58.5°	174.2°
N4	C9	C8	N3	1.7°	0.1°
C9	N4	C10	C1	0.3°	0.1°
C9	N4	C10	N5	179.5°	180.0°
N4	C9	N9	H9	0.0°	174.0°
N4	C9	N9	H10	120.0°	6.0°
N6	C12	N8	H5	0.0°	4.9°
N6	C12	N8	H6	180.0°	175.0°
N6	C12	N7	H8	179.1°	180.0°
C12	N8	H5	H6	180.0°	179.9°
N8	C12	N6	H7	0.7°	5.3°
N8	C12	N7	H8	0.0°	0.0°
C8	N3	C1	C10	0.1°	0.0°
C8	N3	C1	C2	179.9°	180.0°
N4	C10	C1	N3	0.7°	0.1°
N4	C10	C1	N5	179.1°	179.9°
N4	C10	C1	C2	179.3°	179.9°
N4	C10	N5	H11	0.0°	174.7°
N4	C10	N5	H12	120.0°	5.1°
N3	C1	C10	C2	180.0°	180.0°
N3	C1	C10	N5	179.8°	180.0°
N3	C1	C2	C5	108.4°	50.0°
N3	C1	C2	C3	72.7°	130.0°
C10	C1	C2	C5	71.6°	130.0°
C10	C1	C2	C3	107.3°	50.0°
C1	C10	N5	H11	179.2°	5.3°
C1	C10	N5	H12	59.1°	174.8°
N5	C10	C1	C2	0.2°	0.0°
C10	N5	H11	H12	120.0°	179.9°
C1	C2	C5	O2	0.4°	0.0°
C1	C2	C5	C3	178.9°	180.0°
C1	C2	C5	N2	179.1°	179.9°
C1	C2	C3	N1	178.8°	179.9°
C1	C2	C3	H1	1.2°	0.0°
C7	O2	C5	C2	134.6°	180.0°
C7	O2	C5	N2	44.1°	0.1°
O2	C7	H13	H14	120.0°	120.0°
O2	C7	H13	H15	120.0°	119.9°
O2	C7	H14	H15	120.0°	120.0°
O2	C5	C2	N2	178.7°	179.9°
O2	C5	C2	C3	178.5°	180.0°
O2	C5	N2	C4	178.6°	180.0°
C5	O2	C7	H13	180.0°	180.0°
C5	O2	C7	H14	60.0°	60.0°
C5	O2	C7	H15	60.0°	60.0°
C5	C2	C3	N1	0.1°	0.0°
C2	C5	N2	C4	0.2°	0.1°
C5	C2	C3	H1	179.9°	179.9°
C3	C2	C5	N2	0.2°	0.1°
C2	C3	N1	H1	180.0°	179.9°
C2	C3	N1	C4	0.3°	0.1°
C5	N2	C4	N1	0.1°	0.1°
C5	N2	C4	O1	179.7°	180.0°
C3	N1	C4	N2	0.3°	0.1°
C3	N1	C4	O1	179.5°	180.0°
N2	C4	N1	O1	179.8°	179.9°
N2	C4	O1	C6	117.3°	180.0°
N1	C4	O1	C6	62.9°	0.1°
C4	N1	C3	H1	179.7°	180.0°
C4	O1	C6	H2	180.0°	59.9°
C4	O1	C6	H3	60.0°	60.0°
C4	O1	C6	H4	60.0°	180.0°
O1	C6	H2	H3	120.0°	120.0°
O1	C6	H2	H4	120.0°	120.0°
O1	C6	H3	H4	120.0°	120.0°
H2	C6	H3	H4	120.0°	120.0°
H13	C7	H14	H15	120.0°	120.0°

Release date:	2019-09-18
Definition date:	2018-08-22
Last modified:	2019-09-13
Release status:	REL
Processing site:	PDBJ
Derived from:	6AG3