CG8

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C2	doub	1.22Å	1.23Å
C2	N2	sing	1.35Å	1.40Å
C2	N1	sing	1.35Å	1.42Å
N2	C3	sing	1.35Å	1.40Å
O4	C10	doub	1.21Å	1.25Å
O2	C3	doub	1.22Å	1.23Å
C3	C4	sing	1.41Å	1.45Å
N1	C5	sing	1.47Å	1.45Å
N1	C1	sing	1.37Å	1.39Å
C5	C9	sing	1.53Å	1.56Å
C10	C9	sing	1.51Å	1.53Å
C10	O3	sing	1.34Å	1.25Å
C9	N4	sing	1.47Å	1.47Å
C1	C4	doub	1.35Å	1.33Å
C1	C6	sing	1.51Å	1.51Å
C4	C7	sing	1.51Å	1.50Å
C6	N3	sing	1.48Å	1.48Å
C7	N3	sing	1.48Å	1.48Å
N3	C8	sing	1.47Å	1.46Å
C6	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C7	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C9	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.09Å	1.10Å
C8	H8	sing	1.09Å	1.10Å
C8	H9	sing	1.09Å	1.10Å
N2	H10	sing	0.97Å	1.00Å
C5	H11	sing	1.09Å	1.10Å
C5	H12	sing	1.09Å	1.10Å
N4	H13	sing	1.01Å	1.00Å
N4	H14	sing	1.01Å	1.00Å
O3	H16	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C2	N2	119.8°	119.6°
O1	C2	N1	123.0°	119.5°
N2	C2	N1	117.2°	120.9°
C2	N2	C3	125.9°	120.3°
C2	N2	H10	117.0°	119.9°
C2	N1	C5	118.3°	119.6°
C2	N1	C1	117.8°	120.7°
N2	C3	O2	120.8°	120.4°
N2	C3	C4	113.4°	119.3°
C3	N2	H10	117.0°	119.8°
O4	C10	C9	118.2°	120.0°
O4	C10	O3	123.4°	120.0°
O2	C3	C4	125.8°	120.3°
C3	C4	C1	121.2°	119.3°
C3	C4	C7	127.1°	131.9°
C5	N1	C1	124.0°	119.7°
N1	C5	C9	114.0°	109.5°
N1	C5	H11	108.4°	109.5°
N1	C5	H12	108.4°	109.5°
N1	C1	C4	124.5°	119.5°
N1	C1	C6	124.8°	131.7°
C5	C9	C10	113.2°	109.5°
C5	C9	N4	111.6°	109.5°
C5	C9	H6	107.5°	109.4°
C9	C5	H11	108.3°	109.4°
C9	C5	H12	108.3°	109.5°
C9	C10	O3	118.4°	120.0°
C10	C9	N4	108.3°	109.5°
C10	C9	H6	107.7°	109.5°
C10	O3	H16	109.5°	117.0°
N4	C9	H6	108.5°	109.4°
C9	N4	H13	109.5°	111.0°
C9	N4	H14	109.5°	111.0°
C4	C1	C6	110.7°	108.7°
C1	C4	C7	111.7°	108.8°
C1	C6	N3	104.0°	105.6°
C1	C6	H2	110.8°	110.3°
C1	C6	H3	110.8°	110.3°
C4	C7	N3	103.8°	105.5°
C4	C7	H4	110.9°	110.2°
C4	C7	H5	110.9°	110.3°
C6	N3	C7	109.7°	103.4°
C6	N3	C8	113.7°	111.0°
N3	C6	H2	110.8°	110.3°
N3	C6	H3	110.8°	110.2°
C7	N3	C8	114.9°	111.0°
N3	C7	H4	110.9°	110.2°
N3	C7	H5	110.9°	110.2°
N3	C8	H7	109.5°	109.5°
N3	C8	H8	109.5°	109.5°
N3	C8	H9	109.5°	109.5°
H2	C6	H3	109.5°	110.1°
H4	C7	H5	109.5°	110.2°
H7	C8	H8	109.5°	109.4°
H7	C8	H9	109.5°	109.5°
H8	C8	H9	109.5°	109.5°
H11	C5	H12	109.5°	109.5°
H13	N4	H14	109.5°	111.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C2	N2	N1	179.7°	179.9°
O1	C2	N2	C3	180.0°	180.0°
O1	C2	N1	C5	0.8°	0.1°
O1	C2	N1	C1	180.0°	180.0°
O1	C2	N2	H10	0.1°	0.0°
C2	N2	C3	H10	180.0°	180.0°
C2	N2	C3	O2	179.7°	180.0°
C2	N2	C3	C4	0.0°	0.0°
N2	C2	N1	C5	179.5°	180.0°
N2	C2	N1	C1	0.3°	0.1°
N1	C2	N2	C3	0.3°	0.1°
C2	N1	C5	C1	179.1°	179.9°
C2	N1	C5	C9	80.1°	90.1°
C2	N1	C1	C4	0.2°	0.1°
C2	N1	C1	C6	179.7°	179.9°
N1	C2	N2	H10	179.7°	179.9°
C2	N1	C5	H11	40.6°	149.9°
C2	N1	C5	H12	159.2°	29.9°
N2	C3	O2	C4	179.7°	180.0°
N2	C3	C4	C1	0.1°	0.0°
N2	C3	C4	C7	179.8°	180.0°
O4	C10	C9	C5	50.0°	100.0°
O4	C10	C9	O3	180.0°	180.0°
O4	C10	C9	N4	174.2°	20.0°
O4	C10	C9	H6	68.6°	140.0°
O4	C10	O3	H16	0.0°	0.0°
O2	C3	C4	C1	179.8°	180.0°
O2	C3	C4	C7	0.1°	0.0°
O2	C3	N2	H10	0.3°	0.0°
C3	C4	C1	N1	0.0°	0.0°
C3	C4	C1	C7	179.9°	180.0°
C3	C4	C1	C6	179.9°	180.0°
C3	C4	C7	N3	178.8°	162.7°
C3	C4	C7	H4	59.7°	78.3°
C3	C4	C7	H5	62.1°	43.7°
C4	C3	N2	H10	180.0°	180.0°
N1	C5	C9	H11	120.7°	120.0°
N1	C5	C9	H12	120.7°	120.0°
N1	C5	C9	C10	163.6°	175.0°
N1	C5	C9	N4	74.0°	54.9°
C5	N1	C1	C4	179.3°	180.0°
C5	N1	C1	C6	0.6°	0.0°
N1	C5	C9	H6	44.8°	65.0°
N1	C5	H11	H12	118.0°	120.0°
C1	N1	C5	C9	99.0°	89.9°
N1	C1	C4	C6	179.9°	180.0°
N1	C1	C4	C7	179.9°	180.0°
N1	C1	C6	N3	178.8°	162.8°
N1	C1	C6	H2	62.0°	43.7°
N1	C1	C6	H3	59.7°	78.2°
C1	N1	C5	H11	140.3°	30.0°
C1	N1	C5	H12	21.6°	150.0°
C5	C9	C10	N4	124.2°	120.0°
C5	C9	C10	H6	118.6°	120.0°
C5	C9	C10	O3	130.0°	80.0°
C5	C9	N4	H6	118.2°	119.9°
C9	C5	H11	H12	117.9°	120.0°
C5	C9	N4	H13	180.0°	176.0°
C5	C9	N4	H14	60.0°	60.0°
C10	C9	N4	H6	116.6°	120.0°
C10	C9	C5	H11	42.9°	55.0°
C10	C9	C5	H12	75.8°	65.0°
C10	C9	N4	H13	54.8°	63.9°
C10	C9	N4	H14	65.2°	60.0°
C9	C10	O3	H16	179.9°	180.0°
O3	C10	C9	N4	5.7°	160.0°
O3	C10	C9	H6	111.4°	40.0°
N4	C9	C5	H11	165.3°	65.0°
N4	C9	C5	H12	46.6°	175.0°
C9	N4	H13	H14	120.1°	123.9°
C4	C1	C6	N3	1.3°	17.2°
C1	C4	C7	N3	1.3°	17.3°
C4	C1	C6	H2	117.9°	136.3°
C4	C1	C6	H3	120.4°	101.8°
C1	C4	C7	H4	120.3°	101.7°
C1	C4	C7	H5	117.9°	136.3°
C6	C1	C4	C7	0.0°	0.0°
C1	C6	N3	H2	119.1°	119.1°
C1	C6	N3	H3	119.1°	119.1°
C1	C6	N3	C7	2.0°	26.9°
C1	C6	N3	C8	132.2°	146.0°
C1	C6	H2	H3	122.6°	121.9°
C4	C7	N3	C6	2.0°	26.9°
C4	C7	N3	H4	119.1°	119.0°
C4	C7	N3	H5	119.1°	119.1°
C4	C7	N3	C8	131.6°	146.0°
C4	C7	H4	H5	122.6°	122.0°
C6	N3	C7	C8	129.6°	119.1°
N3	C6	H2	H3	122.5°	121.9°
C6	N3	C7	H4	121.1°	92.1°
C6	N3	C7	H5	117.1°	146.0°
C6	N3	C8	H7	180.0°	60.0°
C6	N3	C8	H8	60.0°	180.0°
C6	N3	C8	H9	60.0°	60.0°
C7	N3	C6	H2	117.1°	146.0°
C7	N3	C6	H3	121.2°	92.2°
N3	C7	H4	H5	122.6°	121.9°
C7	N3	C8	H7	52.4°	174.4°
C7	N3	C8	H8	67.6°	65.7°
C7	N3	C8	H9	172.4°	54.4°
C8	N3	C6	H2	13.1°	94.9°
C8	N3	C6	H3	108.6°	26.9°
C8	N3	C7	H4	109.3°	27.0°
C8	N3	C7	H5	12.5°	95.0°
N3	C8	H7	H8	120.0°	120.0°
N3	C8	H7	H9	120.0°	120.1°
N3	C8	H8	H9	120.0°	120.0°
H6	C9	C5	H11	75.9°	175.0°
H6	C9	C5	H12	165.5°	55.0°
H6	C9	N4	H13	61.8°	56.1°
H6	C9	N4	H14	178.2°	180.0°
H7	C8	H8	H9	120.0°	120.0°

Release date:	2018-02-28
Definition date:	2017-11-27
Last modified:	2018-02-23
Release status:	REL
Processing site:	EBI
Derived from:	6F28