JD7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N17	C16	trip	1.14Å	1.17Å
C16	C13	sing	1.43Å	1.41Å
C13	C12	doub	1.40Å	1.39Å	Aromatic
C13	C14	sing	1.40Å	1.39Å	Aromatic
C12	C11	sing	1.38Å	1.40Å	Aromatic
C14	C15	doub	1.38Å	1.40Å	Aromatic
C11	C10	doub	1.38Å	1.40Å	Aromatic
C15	C10	sing	1.38Å	1.41Å	Aromatic
C10	C03	sing	1.51Å	1.56Å
C03	C02	sing	1.53Å	1.55Å
C03	N04	sing	1.46Å	1.44Å
C02	C01	sing	1.53Å	1.54Å
C01	C09	sing	1.53Å	1.54Å
N04	C05	sing	1.34Å	1.39Å	Aromatic
N04	C08	sing	1.37Å	1.40Å	Aromatic
C09	C08	sing	1.51Å	1.48Å
C05	N06	doub	1.31Å	1.35Å	Aromatic
C08	C07	doub	1.34Å	1.39Å	Aromatic
N06	C07	sing	1.34Å	1.40Å	Aromatic
C01	H2	sing	1.09Å	1.10Å
C01	H1	sing	1.09Å	1.10Å
C02	H3	sing	1.09Å	1.10Å
C02	H4	sing	1.09Å	1.10Å
C03	H5	sing	1.09Å	1.10Å
C05	H6	sing	1.08Å	1.08Å
C07	H7	sing	1.08Å	1.08Å
C09	H9	sing	1.09Å	1.10Å
C09	H8	sing	1.09Å	1.10Å
C11	H10	sing	1.08Å	1.08Å
C12	H11	sing	1.08Å	1.08Å
C14	H12	sing	1.08Å	1.08Å
C15	H13	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N17	C16	C13	179.9°	180.0°
C16	C13	C12	125.2°	120.2°
C16	C13	C14	119.6°	120.2°
C12	C13	C14	115.2°	119.7°
C13	C12	C11	122.4°	119.8°
C13	C12	H11	118.8°	120.1°
C13	C14	C15	122.3°	119.8°
C13	C14	H12	118.9°	120.1°
C12	C11	C10	123.2°	120.2°
C12	C11	H10	118.4°	119.9°
C11	C12	H11	118.8°	120.1°
C14	C15	C10	123.4°	120.2°
C15	C14	H12	118.9°	120.1°
C14	C15	H13	118.3°	119.9°
C11	C10	C15	113.5°	120.3°
C11	C10	C03	123.2°	119.8°
C10	C11	H10	118.4°	120.0°
C15	C10	C03	123.3°	119.9°
C10	C15	H13	118.3°	119.9°
C10	C03	C02	111.6°	109.6°
C10	C03	N04	111.7°	109.6°
C10	C03	H5	107.6°	109.7°
C02	C03	N04	109.1°	108.7°
C03	C02	C01	118.7°	109.8°
C03	C02	H3	107.1°	109.5°
C03	C02	H4	107.1°	109.4°
C02	C03	H5	107.7°	109.6°
C03	N04	C05	125.5°	128.4°
C03	N04	C08	126.2°	124.3°
N04	C03	H5	109.1°	109.6°
C02	C01	C09	114.4°	109.3°
C02	C01	H2	108.2°	109.5°
C02	C01	H1	108.2°	109.5°
C01	C02	H3	107.1°	109.4°
C01	C02	H4	107.1°	109.4°
C01	C09	C08	114.5°	108.1°
C09	C01	H2	108.2°	109.5°
C09	C01	H1	108.2°	109.5°
C01	C09	H9	108.2°	109.8°
C01	C09	H8	108.2°	109.7°
C05	N04	C08	108.3°	107.3°
N04	C05	N06	110.2°	108.6°
N04	C05	H6	124.9°	125.8°
N04	C08	C09	124.0°	124.2°
N04	C08	C07	104.7°	107.1°
C09	C08	C07	131.3°	128.7°
C08	C09	H9	108.2°	109.7°
C08	C09	H8	108.2°	109.7°
C05	N06	C07	105.8°	109.3°
N06	C05	H6	124.9°	125.7°
C08	C07	N06	110.9°	107.8°
C08	C07	H7	124.5°	126.1°
N06	C07	H7	124.5°	126.1°
H2	C01	H1	109.5°	109.5°
H3	C02	H4	109.5°	109.3°
H9	C09	H8	109.5°	109.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N17	C16	C13	C12	168.9°	121.5°
N17	C16	C13	C14	11.1°	58.5°
C16	C13	C12	C14	180.0°	179.9°
C16	C13	C12	C11	180.0°	180.0°
C16	C13	C14	C15	180.0°	179.8°
C16	C13	C12	H11	0.0°	0.1°
C16	C13	C14	H12	0.0°	0.0°
C13	C12	C11	H11	180.0°	180.0°
C12	C13	C14	C15	0.0°	0.3°
C13	C12	C11	C10	0.3°	0.1°
C13	C12	C11	H10	179.7°	180.0°
C12	C13	C14	H12	180.0°	179.9°
C14	C13	C12	C11	0.0°	0.0°
C13	C14	C15	H12	180.0°	179.8°
C13	C14	C15	C10	0.2°	0.5°
C14	C13	C12	H11	180.0°	180.0°
C13	C14	C15	H13	179.8°	180.0°
C12	C11	C10	H10	180.0°	180.0°
C12	C11	C10	C15	0.5°	0.3°
C12	C11	C10	C03	179.7°	180.0°
C14	C15	C10	C11	0.4°	0.5°
C14	C15	C10	H13	180.0°	179.5°
C14	C15	C10	C03	179.7°	179.8°
C11	C10	C15	C03	179.2°	179.7°
C11	C10	C03	C02	67.6°	120.0°
C11	C10	C03	N04	170.0°	120.8°
C11	C10	C03	H5	50.3°	0.4°
C10	C11	C12	H11	179.7°	180.0°
C11	C10	C15	H13	179.5°	180.0°
C15	C10	C03	C02	113.3°	59.7°
C15	C10	C03	N04	9.2°	59.5°
C15	C10	C03	H5	128.8°	179.9°
C15	C10	C11	H10	179.5°	179.7°
C10	C15	C14	H12	179.8°	179.7°
C10	C03	C02	N04	123.9°	119.8°
C10	C03	C02	H5	117.9°	120.5°
C10	C03	N04	H5	118.8°	120.5°
C10	C03	C02	C01	84.8°	170.5°
C10	C03	N04	C05	73.7°	43.0°
C10	C03	N04	C08	105.2°	137.0°
C10	C03	C02	H3	36.5°	69.4°
C10	C03	C02	H4	153.9°	50.4°
C03	C10	C11	H10	0.3°	0.0°
C03	C10	C15	H13	0.3°	0.3°
C02	C03	N04	H5	117.4°	119.7°
C03	C02	C01	H3	121.3°	120.1°
C03	C02	C01	H4	121.3°	120.1°
C03	C02	C01	C09	41.8°	69.9°
C02	C03	N04	C05	162.5°	162.8°
C02	C03	N04	C08	18.7°	17.2°
C03	C02	C01	H2	78.9°	170.1°
C03	C02	C01	H1	162.5°	50.1°
C03	C02	H3	H4	115.8°	119.8°
N04	C03	C02	C01	39.1°	50.7°
C03	N04	C05	C08	179.0°	180.0°
C03	N04	C08	C09	0.7°	0.2°
C03	N04	C05	N06	179.7°	179.9°
C03	N04	C08	C07	179.3°	179.9°
N04	C03	C02	H3	160.4°	170.8°
N04	C03	C02	H4	82.2°	69.4°
C03	N04	C05	H6	0.3°	0.1°
C02	C01	C09	H2	120.7°	120.0°
C02	C01	C09	H1	120.7°	120.0°
C02	C01	C09	C08	20.9°	48.7°
C02	C01	H2	H1	117.8°	120.1°
C01	C02	H3	H4	115.8°	119.9°
C01	C02	C03	H5	157.4°	69.0°
C02	C01	C09	H9	141.7°	71.0°
C02	C01	C09	H8	99.8°	168.3°
C01	C09	C08	N04	1.3°	15.7°
C01	C09	C08	H9	120.7°	119.7°
C01	C09	C08	H8	120.8°	119.6°
C01	C09	C08	C07	178.7°	164.2°
C09	C01	H2	H1	117.7°	120.1°
C09	C01	C02	H3	163.1°	170.0°
C09	C01	C02	H4	79.5°	50.2°
C01	C09	H9	H8	117.7°	120.7°
C05	N04	C08	C09	179.7°	179.8°
N04	C05	N06	H6	180.0°	180.0°
C05	N04	C08	C07	0.3°	0.1°
N04	C05	N06	C07	0.8°	0.1°
C05	N04	C03	H5	45.1°	77.5°
N04	C08	C09	C07	180.0°	179.9°
C08	N04	C05	N06	0.7°	0.1°
N04	C08	C07	N06	0.2°	0.1°
C08	N04	C03	H5	136.1°	102.5°
C08	N04	C05	H6	179.3°	179.9°
N04	C08	C07	H7	179.8°	179.9°
N04	C08	C09	H9	122.1°	103.9°
N04	C08	C09	H8	119.4°	135.4°
C09	C08	C07	N06	179.9°	179.8°
C08	C09	C01	H2	99.8°	168.6°
C08	C09	C01	H1	141.7°	71.3°
C09	C08	C07	H7	0.2°	0.2°
C08	C09	H9	H8	117.7°	120.7°
C05	N06	C07	C08	0.6°	0.0°
C05	N06	C07	H7	179.4°	180.0°
C08	C07	N06	H7	180.0°	180.0°
C07	C08	C09	H9	57.9°	76.2°
C07	C08	C09	H8	60.6°	44.5°
C07	N06	C05	H6	179.2°	180.0°
H2	C01	C02	H3	42.4°	50.0°
H2	C01	C02	H4	159.8°	69.8°
H2	C01	C09	H9	20.9°	49.0°
H2	C01	C09	H8	139.5°	71.7°
H1	C01	C02	H3	76.2°	70.1°
H1	C01	C02	H4	41.2°	170.2°
H1	C01	C09	H9	97.6°	169.1°
H1	C01	C09	H8	20.9°	48.4°
H3	C02	C03	H5	81.3°	51.1°
H4	C02	C03	H5	36.1°	170.9°
H10	C11	C12	H11	0.3°	0.0°
H12	C14	C15	H13	0.2°	0.2°

Release date:	2018-11-21
Definition date:	2018-08-30
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	6M7X