CJU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	N10	sing	1.46Å	1.43Å
N10	C09	sing	1.39Å	1.43Å
C09	C03	doub	1.39Å	1.40Å	Aromatic
C09	N08	sing	1.33Å	1.33Å	Aromatic
C03	C04	sing	1.39Å	1.39Å	Aromatic
C16	C17	sing	1.53Å	1.51Å
C16	C15	sing	1.53Å	1.48Å
C17	N12	sing	1.47Å	1.45Å
N08	C06	doub	1.32Å	1.34Å	Aromatic
C04	N12	sing	1.39Å	1.44Å
C04	N05	doub	1.33Å	1.34Å	Aromatic
N12	C13	sing	1.47Å	1.46Å
C15	C14	sing	1.53Å	1.48Å
C06	N05	sing	1.32Å	1.34Å	Aromatic
C06	N07	sing	1.38Å	1.41Å
C14	C13	sing	1.53Å	1.51Å
C11	H1	sing	1.09Å	1.10Å
C11	H2	sing	1.09Å	1.10Å
C11	H3	sing	1.09Å	1.10Å
C13	H4	sing	1.09Å	1.10Å
C13	H5	sing	1.09Å	1.10Å
C15	H6	sing	1.09Å	1.10Å
C15	H7	sing	1.09Å	1.10Å
C16	H8	sing	1.09Å	1.10Å
C16	H9	sing	1.09Å	1.10Å
C17	H10	sing	1.09Å	1.10Å
C17	H11	sing	1.09Å	1.10Å
C03	H12	sing	1.08Å	1.08Å
N07	H13	sing	0.97Å	1.00Å
N07	H14	sing	0.97Å	1.00Å
N10	H15	sing	0.97Å	1.00Å
C14	H16	sing	1.09Å	1.10Å
C14	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	N10	C09	120.4°	120.0°
N10	C11	H1	109.5°	109.5°
N10	C11	H2	109.5°	109.5°
N10	C11	H3	109.5°	109.5°
C11	N10	H15	106.7°	120.0°
N10	C09	C03	121.9°	120.4°
N10	C09	N08	119.4°	120.4°
C09	N10	H15	106.6°	120.0°
C03	C09	N08	118.7°	119.1°
C09	C03	C04	118.7°	118.4°
C09	C03	H12	120.6°	120.8°
C09	N08	C06	121.6°	120.8°
C03	C04	N12	122.3°	120.5°
C03	C04	N05	119.7°	119.1°
C04	C03	H12	120.7°	120.7°
C17	C16	C15	111.3°	109.3°
C16	C17	N12	109.2°	109.5°
C17	C16	H8	109.0°	109.4°
C17	C16	H9	109.0°	109.5°
C16	C17	H10	109.5°	109.4°
C16	C17	H11	109.6°	109.4°
C16	C15	C14	113.4°	109.2°
C16	C15	H6	108.5°	109.5°
C16	C15	H7	108.5°	109.6°
C15	C16	H8	109.0°	109.5°
C15	C16	H9	109.0°	109.6°
C17	N12	C04	119.3°	111.0°
C17	N12	C13	109.3°	111.2°
N12	C17	H10	109.5°	109.5°
N12	C17	H11	109.5°	109.5°
N08	C06	N05	121.0°	121.8°
N08	C06	N07	120.2°	119.1°
N12	C04	N05	118.0°	120.4°
C04	N12	C13	116.6°	111.0°
C04	N05	C06	120.3°	120.8°
N12	C13	C14	111.6°	109.5°
N12	C13	H4	109.0°	109.5°
N12	C13	H5	109.0°	109.5°
C15	C14	C13	110.9°	109.3°
C14	C15	H6	108.5°	109.5°
C14	C15	H7	108.5°	109.6°
C15	C14	H16	109.1°	109.5°
C15	C14	H17	109.1°	109.5°
N05	C06	N07	118.8°	119.1°
C06	N07	H13	109.5°	120.0°
C06	N07	H14	109.5°	120.1°
C14	C13	H4	108.9°	109.5°
C14	C13	H5	108.9°	109.5°
C13	C14	H16	109.1°	109.6°
C13	C14	H17	109.1°	109.5°
H1	C11	H2	109.4°	109.5°
H1	C11	H3	109.5°	109.4°
H2	C11	H3	109.5°	109.5°
H4	C13	H5	109.5°	109.4°
H6	C15	H7	109.5°	109.5°
H8	C16	H9	109.5°	109.6°
H10	C17	H11	109.5°	109.4°
H13	N07	H14	109.5°	120.0°
H16	C14	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	N10	C09	H15	121.5°	179.9°
C11	N10	C09	C03	0.1°	0.1°
C11	N10	C09	N08	179.8°	179.5°
N10	C11	H1	H2	120.0°	120.0°
N10	C11	H1	H3	120.0°	120.0°
N10	C11	H2	H3	120.0°	120.0°
N10	C09	C03	N08	179.8°	179.6°
N10	C09	C03	C04	179.9°	180.0°
N10	C09	N08	C06	179.4°	180.0°
C09	N10	C11	H1	180.0°	60.1°
C09	N10	C11	H2	60.0°	60.0°
C09	N10	C11	H3	60.0°	180.0°
N10	C09	C03	H12	0.1°	0.1°
C09	C03	C04	H12	180.0°	179.8°
C03	C09	N08	C06	0.8°	0.4°
C09	C03	C04	N12	178.5°	179.8°
C09	C03	C04	N05	0.6°	0.2°
C03	C09	N10	H15	121.6°	180.0°
N08	C09	C03	C04	0.1°	0.4°
C09	N08	C06	N05	0.8°	0.2°
C09	N08	C06	N07	179.2°	179.8°
N08	C09	C03	H12	179.9°	179.8°
N08	C09	N10	H15	58.7°	0.4°
C03	C04	N12	C17	17.9°	180.0°
C03	C04	N12	N05	179.1°	180.0°
C03	C04	N12	C13	152.7°	55.8°
C03	C04	N05	C06	0.6°	0.0°
C17	C16	C15	H8	120.3°	119.8°
C17	C16	C15	H9	120.3°	120.0°
C16	C17	N12	H10	119.9°	120.0°
C16	C17	N12	H11	120.0°	120.0°
C16	C17	N12	C04	159.1°	174.2°
C16	C17	N12	C13	63.2°	61.8°
C17	C16	C15	C14	50.5°	57.6°
C17	C16	C15	H6	70.1°	62.3°
C17	C16	C15	H7	171.1°	177.6°
C17	C16	H8	H9	119.2°	120.1°
C16	C17	H10	H11	120.1°	119.9°
C15	C16	C17	N12	57.7°	59.1°
C16	C15	C14	H6	120.6°	119.9°
C16	C15	C14	H7	120.6°	120.0°
C16	C15	C14	C13	47.7°	57.7°
C16	C15	H6	H7	118.2°	120.1°
C15	C16	H8	H9	119.2°	120.2°
C15	C16	C17	H10	177.6°	179.1°
C15	C16	C17	H11	62.3°	60.9°
C16	C15	C14	H16	168.0°	62.3°
C16	C15	C14	H17	72.5°	177.6°
C17	N12	C04	C13	134.7°	124.2°
C17	N12	C04	N05	161.1°	0.0°
C17	N12	C13	C14	61.9°	61.8°
C17	N12	C13	H4	177.8°	178.2°
C17	N12	C13	H5	58.4°	58.2°
N12	C17	C16	H8	177.9°	60.7°
N12	C17	C16	H9	62.6°	179.2°
N12	C17	H10	H11	120.1°	120.0°
N08	C06	N05	C04	0.1°	0.1°
N08	C06	N05	N07	180.0°	179.9°
N08	C06	N07	H13	0.0°	180.0°
N08	C06	N07	H14	120.0°	0.0°
N12	C04	N05	C06	178.5°	179.9°
C04	N12	C13	C14	159.1°	174.1°
C04	N12	C13	H4	38.8°	54.1°
C04	N12	C13	H5	80.6°	65.8°
C04	N12	C17	H10	39.2°	54.2°
C04	N12	C17	H11	81.0°	65.8°
N12	C04	C03	H12	1.5°	0.0°
N05	C04	N12	C13	26.4°	124.2°
C04	N05	C06	N07	179.9°	180.0°
N05	C04	C03	H12	179.4°	180.0°
N12	C13	C14	C15	53.3°	59.2°
N12	C13	C14	H4	120.3°	120.0°
N12	C13	C14	H5	120.3°	120.0°
N12	C13	H4	H5	119.1°	120.0°
C13	N12	C17	H10	176.9°	178.2°
C13	N12	C17	H11	56.8°	58.2°
N12	C13	C14	H16	173.5°	60.8°
N12	C13	C14	H17	66.9°	179.1°
C15	C14	C13	H16	120.2°	120.0°
C15	C14	C13	H17	120.2°	119.9°
C15	C14	C13	H4	173.6°	179.2°
C15	C14	C13	H5	67.1°	60.8°
C14	C15	H6	H7	118.2°	120.2°
C14	C15	C16	H8	170.8°	62.2°
C14	C15	C16	H9	69.8°	177.6°
C15	C14	H16	H17	119.3°	120.1°
N05	C06	N07	H13	180.0°	0.0°
N05	C06	N07	H14	59.9°	179.9°
C06	N07	H13	H14	120.0°	179.9°
C14	C13	H4	H5	119.0°	120.0°
C13	C14	C15	H6	72.8°	62.2°
C13	C14	C15	H7	168.3°	177.7°
C13	C14	H16	H17	119.4°	120.1°
H1	C11	H2	H3	120.0°	120.0°
H1	C11	N10	H15	58.5°	120.0°
H2	C11	N10	H15	61.5°	120.0°
H3	C11	N10	H15	178.5°	0.1°
H4	C13	C14	H16	66.2°	59.3°
H4	C13	C14	H17	53.4°	60.9°
H5	C13	C14	H16	53.1°	179.2°
H5	C13	C14	H17	172.7°	59.1°
H6	C15	C16	H8	50.2°	177.8°
H6	C15	C16	H9	169.6°	57.7°
H6	C15	C14	H16	47.4°	177.8°
H6	C15	C14	H17	166.9°	57.7°
H7	C15	C16	H8	68.7°	57.8°
H7	C15	C16	H9	50.8°	62.4°
H7	C15	C14	H16	71.5°	57.7°
H7	C15	C14	H17	48.1°	62.4°
H8	C16	C17	H10	62.1°	59.3°
H8	C16	C17	H11	58.0°	179.2°
H9	C16	C17	H10	57.3°	60.8°
H9	C16	C17	H11	177.4°	59.1°

Release date:	2020-10-28
Definition date:	2019-04-24
Last modified:	2020-10-23
Release status:	REL
Processing site:	PDBJ
Derived from:	6JVR