SNV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C7	doub	1.38Å	1.39Å	Aromatic
C6	C5	sing	1.39Å	1.42Å	Aromatic
N2	C5	sing	1.40Å	1.38Å
C7	C8	sing	1.38Å	1.39Å	Aromatic
C5	C4	doub	1.40Å	1.43Å	Aromatic
C8	C9	doub	1.38Å	1.40Å	Aromatic
C4	C9	sing	1.39Å	1.40Å	Aromatic
C4	N1	sing	1.40Å	1.47Å
N1	C10	sing	1.47Å	1.51Å
N1	C3	sing	1.47Å	1.50Å
C10	C11	sing	1.53Å	1.56Å
C11	N	sing	1.47Å	1.51Å
C3	C2	sing	1.53Å	1.55Å
C2	N	sing	1.47Å	1.50Å
N	C1	sing	1.47Å	1.51Å
C1	C	sing	1.53Å	1.56Å
C	O	sing	1.43Å	1.41Å
C6	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.08Å	1.08Å
C10	H4	sing	1.09Å	1.10Å
C10	H5	sing	1.09Å	1.10Å
C	H7	sing	1.09Å	1.10Å
C	H8	sing	1.09Å	1.10Å
O	H9	sing	0.97Å	0.95Å
C1	H10	sing	1.09Å	1.10Å
C1	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C2	H14	sing	1.09Å	1.10Å
C2	H15	sing	1.09Å	1.10Å
C3	H16	sing	1.09Å	1.10Å
C3	H17	sing	1.09Å	1.10Å
C9	H18	sing	1.08Å	1.08Å
N2	H19	sing	0.97Å	1.00Å
N2	H20	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C6	C5	120.3°	120.0°
C6	C7	C8	120.7°	120.2°
C7	C6	H1	119.8°	120.0°
C6	C7	H2	119.6°	119.9°
C6	C5	N2	119.5°	120.1°
C6	C5	C4	119.0°	119.8°
C5	C6	H1	119.8°	120.0°
N2	C5	C4	121.5°	120.1°
C5	N2	H19	109.5°	120.0°
C5	N2	H20	109.4°	120.0°
C7	C8	C9	119.7°	120.2°
C8	C7	H2	119.7°	119.9°
C7	C8	H3	120.1°	119.9°
C5	C4	C9	119.1°	119.8°
C5	C4	N1	117.9°	120.1°
C8	C9	C4	121.2°	120.0°
C9	C8	H3	120.1°	119.8°
C8	C9	H18	119.4°	120.1°
C9	C4	N1	123.1°	120.1°
C4	C9	H18	119.4°	119.9°
C4	N1	C10	114.0°	111.0°
C4	N1	C3	112.0°	111.0°
C10	N1	C3	108.5°	110.9°
N1	C10	C11	106.6°	109.4°
N1	C10	H4	110.2°	109.5°
N1	C10	H5	110.1°	109.5°
N1	C3	C2	108.4°	109.4°
N1	C3	H16	109.7°	109.5°
N1	C3	H17	109.8°	109.5°
C10	C11	N	111.1°	109.4°
C11	C10	H4	110.2°	109.5°
C11	C10	H5	110.2°	109.5°
C10	C11	H12	109.0°	109.5°
C10	C11	H13	109.0°	109.5°
C11	N	C2	112.1°	110.9°
C11	N	C1	109.9°	111.0°
N	C11	H12	109.1°	109.5°
N	C11	H13	109.1°	109.5°
C3	C2	N	112.4°	109.4°
C3	C2	H14	108.7°	109.5°
C3	C2	H15	108.8°	109.5°
C2	C3	H16	109.8°	109.5°
C2	C3	H17	109.7°	109.4°
C2	N	C1	108.6°	111.0°
N	C2	H14	108.8°	109.5°
N	C2	H15	108.7°	109.5°
N	C1	C	111.0°	109.5°
N	C1	H10	109.1°	109.4°
N	C1	H11	109.1°	109.4°
C1	C	O	111.6°	109.5°
C1	C	H7	109.0°	109.5°
C1	C	H8	109.0°	109.4°
C	C1	H10	109.1°	109.5°
C	C1	H11	109.1°	109.5°
O	C	H7	108.9°	109.4°
O	C	H8	108.9°	109.5°
C	O	H9	109.5°	114.0°
H4	C10	H5	109.5°	109.5°
H7	C	H8	109.5°	109.5°
H10	C1	H11	109.5°	109.5°
H12	C11	H13	109.5°	109.5°
H14	C2	H15	109.4°	109.5°
H16	C3	H17	109.4°	109.5°
H19	N2	H20	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C6	C5	H1	180.0°	179.9°
C7	C6	C5	N2	178.7°	180.0°
C6	C7	C8	H2	180.0°	180.0°
C7	C6	C5	C4	0.3°	0.1°
C6	C7	C8	C9	0.3°	0.0°
C6	C7	C8	H3	179.7°	180.0°
C6	C5	N2	C4	179.0°	180.0°
C5	C6	C7	C8	0.1°	0.0°
C6	C5	C4	C9	0.4°	0.1°
C6	C5	C4	N1	179.7°	179.7°
C5	C6	C7	H2	179.9°	180.0°
C6	C5	N2	H19	180.0°	180.0°
C6	C5	N2	H20	60.0°	0.0°
N2	C5	C4	C9	178.5°	180.0°
N2	C5	C4	N1	1.3°	0.2°
N2	C5	C6	H1	1.3°	0.0°
C5	N2	H19	H20	120.0°	180.0°
C7	C8	C9	H3	180.0°	179.9°
C7	C8	C9	C4	0.1°	0.1°
C8	C7	C6	H1	179.9°	180.0°
C7	C8	C9	H18	179.9°	179.7°
C5	C4	C9	C8	0.2°	0.0°
C5	C4	C9	N1	179.9°	179.8°
C5	C4	N1	C10	73.9°	119.7°
C5	C4	N1	C3	162.5°	116.5°
C4	C5	C6	H1	179.7°	180.0°
C5	C4	C9	H18	179.8°	179.8°
C4	C5	N2	H19	1.1°	0.1°
C4	C5	N2	H20	121.0°	180.0°
C8	C9	C4	H18	180.0°	179.8°
C8	C9	C4	N1	179.9°	179.8°
C9	C8	C7	H2	179.7°	179.9°
C9	C4	N1	C10	106.3°	60.1°
C9	C4	N1	C3	17.4°	63.8°
C4	C9	C8	H3	179.9°	180.0°
C4	N1	C10	C3	125.5°	123.9°
C4	N1	C10	C11	167.6°	176.8°
C4	N1	C3	C2	168.8°	176.8°
C4	N1	C10	H4	72.9°	63.2°
C4	N1	C10	H5	48.0°	56.8°
C4	N1	C3	H16	48.9°	56.9°
C4	N1	C3	H17	71.4°	63.2°
N1	C4	C9	H18	0.1°	0.0°
N1	C10	C11	H4	119.6°	120.0°
N1	C10	C11	H5	119.5°	120.0°
N1	C10	C11	N	60.6°	58.4°
C10	N1	C3	C2	64.5°	59.3°
N1	C10	H4	H5	121.3°	120.0°
N1	C10	C11	H12	179.1°	178.3°
N1	C10	C11	H13	59.6°	61.6°
C10	N1	C3	H16	175.6°	179.2°
C10	N1	C3	H17	55.3°	60.7°
C3	N1	C10	C11	66.9°	59.3°
N1	C3	C2	H16	119.9°	120.0°
N1	C3	C2	H17	119.9°	120.0°
N1	C3	C2	N	55.4°	58.4°
C3	N1	C10	H4	52.6°	60.7°
C3	N1	C10	H5	173.5°	179.3°
N1	C3	C2	H14	65.0°	178.4°
N1	C3	C2	H15	175.9°	61.6°
N1	C3	H16	H17	120.5°	120.1°
C10	C11	N	H12	120.2°	119.9°
C10	C11	N	H13	120.2°	120.0°
C10	C11	N	C2	52.7°	59.3°
C10	C11	N	C1	173.6°	176.8°
C11	C10	H4	H5	121.3°	120.1°
C10	C11	H12	H13	119.2°	120.1°
C11	N	C2	C3	50.0°	59.3°
C11	N	C2	C1	121.6°	123.9°
C11	N	C1	C	77.1°	170.0°
N	C11	C10	H4	58.9°	61.6°
N	C11	C10	H5	179.8°	178.4°
C11	N	C1	H10	43.1°	50.0°
C11	N	C1	H11	162.6°	70.0°
N	C11	H12	H13	119.3°	120.0°
C11	N	C2	H14	70.5°	179.3°
C11	N	C2	H15	170.4°	60.7°
C3	C2	N	H14	120.4°	120.0°
C3	C2	N	H15	120.5°	120.0°
C3	C2	N	C1	171.6°	176.8°
C3	C2	H14	H15	118.7°	120.0°
C2	C3	H16	H17	120.5°	120.0°
C2	N	C1	C	159.9°	66.2°
C2	N	C1	H10	79.9°	173.8°
C2	N	C1	H11	39.7°	53.8°
C2	N	C11	H12	172.9°	179.2°
C2	N	C11	H13	67.5°	60.7°
N	C2	H14	H15	118.7°	120.0°
N	C2	C3	H16	175.3°	178.4°
N	C2	C3	H17	64.4°	61.6°
N	C1	C	H10	120.2°	120.0°
N	C1	C	H11	120.2°	120.0°
N	C1	C	O	53.5°	65.0°
N	C1	C	H7	66.8°	55.0°
N	C1	C	H8	173.9°	175.0°
N	C1	H10	H11	119.3°	120.0°
C1	N	C11	H12	66.2°	56.9°
C1	N	C11	H13	53.4°	63.2°
C1	N	C2	H14	51.1°	56.9°
C1	N	C2	H15	68.0°	63.2°
C1	C	O	H7	120.3°	120.0°
C1	C	O	H8	120.3°	120.0°
C1	C	H7	H8	119.1°	120.0°
C1	C	O	H9	180.0°	180.0°
C	C1	H10	H11	119.3°	120.1°
O	C	H7	H8	119.0°	120.0°
O	C	C1	H10	173.8°	55.0°
O	C	C1	H11	66.7°	175.0°
H1	C6	C7	H2	0.1°	0.1°
H2	C7	C8	H3	0.3°	0.0°
H3	C8	C9	H18	0.1°	0.2°
H4	C10	C11	H12	61.3°	58.4°
H4	C10	C11	H13	179.2°	178.4°
H5	C10	C11	H12	59.6°	61.7°
H5	C10	C11	H13	59.9°	58.4°
H7	C	O	H9	59.7°	60.0°
H7	C	C1	H10	53.5°	174.9°
H7	C	C1	H11	173.0°	65.0°
H8	C	O	H9	59.6°	60.0°
H8	C	C1	H10	65.9°	65.0°
H8	C	C1	H11	53.6°	55.1°
H14	C2	C3	H16	54.8°	61.6°
H14	C2	C3	H17	175.1°	58.4°
H15	C2	C3	H16	64.3°	58.4°
H15	C2	C3	H17	56.0°	178.4°

Release date:	2020-07-22
Definition date:	2020-03-11
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	5R91