7EN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O14	C13	sing	1.36Å	1.41Å
C13	C15	doub	1.39Å	1.38Å	Aromatic
C13	C12	sing	1.39Å	1.38Å	Aromatic
C15	C16	sing	1.38Å	1.38Å	Aromatic
C12	C10	doub	1.38Å	1.38Å	Aromatic
C16	C09	doub	1.40Å	1.38Å	Aromatic
C10	C09	sing	1.40Å	1.39Å	Aromatic
C10	CL11	sing	1.74Å	1.74Å
C09	C08	sing	1.48Å	1.52Å
C08	C17	sing	1.45Å	1.67Å
C08	C07	doub	1.36Å	1.56Å
O01	C02	sing	1.36Å	1.40Å
C03	C02	doub	1.39Å	1.39Å	Aromatic
C03	C04	sing	1.38Å	1.39Å	Aromatic
C02	C22	sing	1.39Å	1.38Å	Aromatic
CL05	C04	sing	1.74Å	1.74Å
C04	C06	doub	1.40Å	1.39Å	Aromatic
C22	C21	doub	1.38Å	1.38Å	Aromatic
C17	C18	doub	1.33Å	1.56Å
C06	C21	sing	1.40Å	1.39Å	Aromatic
C06	C07	sing	1.47Å	1.51Å
C07	S19	sing	1.77Å	1.64Å
C18	S19	sing	1.77Å	1.65Å
S19	O20	doub	1.42Å	1.44Å
O01	H1	sing	0.97Å	0.95Å
C03	H2	sing	1.08Å	1.08Å
C12	H3	sing	1.08Å	1.08Å
O14	H4	sing	0.97Å	0.95Å
C15	H5	sing	1.08Å	1.08Å
C16	H6	sing	1.08Å	1.08Å
C17	H7	sing	1.08Å	1.08Å
C18	H8	sing	1.08Å	1.08Å
C21	H9	sing	1.08Å	1.08Å
C22	H10	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O14	C13	C15	120.0°	119.9°
O14	C13	C12	119.9°	119.9°
C13	O14	H4	109.5°	114.0°
C15	C13	C12	120.1°	120.2°
C13	C15	C16	119.9°	120.1°
C13	C15	H5	120.1°	120.0°
C13	C12	C10	120.1°	120.1°
C13	C12	H3	119.9°	120.0°
C15	C16	C09	120.3°	119.9°
C16	C15	H5	120.0°	120.0°
C15	C16	H6	119.8°	120.0°
C12	C10	C09	120.0°	119.8°
C12	C10	CL11	118.4°	120.1°
C10	C12	H3	120.0°	119.9°
C16	C09	C10	119.6°	119.8°
C16	C09	C08	118.7°	120.1°
C09	C16	H6	119.8°	120.1°
C09	C10	CL11	121.6°	120.1°
C10	C09	C08	121.7°	120.1°
C09	C08	C17	126.3°	121.9°
C09	C08	C07	125.9°	122.0°
C17	C08	C07	107.8°	116.2°
C08	C17	C18	108.9°	117.2°
C08	C17	H7	125.6°	121.4°
C08	C07	C06	128.2°	127.7°
C08	C07	S19	108.1°	104.5°
O01	C02	C03	120.2°	119.9°
O01	C02	C22	119.7°	119.9°
C02	O01	H1	109.5°	114.0°
C02	C03	C04	120.0°	120.1°
C03	C02	C22	120.2°	120.2°
C02	C03	H2	120.0°	120.0°
C03	C04	CL05	119.7°	120.1°
C03	C04	C06	119.8°	119.8°
C04	C03	H2	120.0°	119.9°
C02	C22	C21	119.9°	120.2°
C02	C22	H10	120.0°	119.9°
CL05	C04	C06	120.4°	120.1°
C04	C06	C21	120.1°	119.8°
C04	C06	C07	121.2°	120.1°
C22	C21	C06	120.1°	119.8°
C22	C21	H9	119.9°	120.1°
C21	C22	H10	120.1°	119.9°
C17	C18	S19	107.5°	105.2°
C18	C17	H7	125.5°	121.4°
C17	C18	H8	126.3°	127.4°
C21	C06	C07	118.7°	120.1°
C06	C21	H9	120.0°	120.1°
C06	C07	S19	123.7°	127.7°
C07	S19	C18	107.7°	96.9°
C07	S19	O20	125.9°	103.0°
C18	S19	O20	126.4°	103.1°
S19	C18	H8	126.2°	127.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O14	C13	C15	C12	180.0°	179.7°
O14	C13	C15	C16	180.0°	180.0°
O14	C13	C12	C10	179.9°	179.7°
O14	C13	C12	H3	0.1°	0.2°
O14	C13	C15	H5	0.0°	0.3°
C13	C15	C16	H5	180.0°	179.7°
C15	C13	C12	C10	0.1°	0.0°
C13	C15	C16	C09	0.1°	0.6°
C15	C13	C12	H3	179.9°	179.9°
C15	C13	O14	H4	180.0°	89.9°
C13	C15	C16	H6	179.9°	179.9°
C12	C13	C15	C16	0.0°	0.3°
C13	C12	C10	H3	180.0°	180.0°
C13	C12	C10	C09	0.2°	0.0°
C13	C12	C10	CL11	180.0°	179.9°
C12	C13	O14	H4	0.0°	89.7°
C12	C13	C15	H5	180.0°	180.0°
C15	C16	C09	H6	180.0°	179.5°
C15	C16	C09	C10	0.1°	0.6°
C15	C16	C09	C08	180.0°	179.8°
C12	C10	C09	C16	0.2°	0.3°
C12	C10	C09	CL11	179.8°	180.0°
C12	C10	C09	C08	179.9°	179.9°
C16	C09	C10	C08	179.9°	179.6°
C16	C09	C10	CL11	180.0°	179.7°
C16	C09	C08	C17	136.9°	101.1°
C16	C09	C08	C07	42.7°	79.0°
C09	C16	C15	H5	180.0°	179.7°
C10	C09	C08	C17	43.2°	79.3°
C10	C09	C08	C07	137.2°	100.6°
C09	C10	C12	H3	179.8°	179.9°
C10	C09	C16	H6	179.8°	180.0°
CL11	C10	C09	C08	0.1°	0.0°
CL11	C10	C12	H3	0.0°	0.1°
C09	C08	C17	C07	179.6°	179.9°
C09	C08	C17	C18	179.8°	180.0°
C09	C08	C07	C06	0.2°	0.1°
C09	C08	C07	S19	179.7°	179.8°
C08	C09	C16	H6	0.1°	0.3°
C09	C08	C17	H7	0.1°	0.0°
C08	C17	C18	H7	180.0°	180.0°
C17	C08	C07	C06	179.5°	180.0°
C17	C08	C07	S19	0.1°	0.3°
C08	C17	C18	S19	0.2°	0.2°
C08	C17	C18	H8	179.8°	180.0°
C08	C07	C06	C04	62.8°	122.3°
C07	C08	C17	C18	0.2°	0.1°
C08	C07	C06	C21	118.3°	57.6°
C08	C07	C06	S19	179.5°	179.6°
C08	C07	S19	C18	0.1°	0.3°
C08	C07	S19	O20	180.0°	104.8°
C07	C08	C17	H7	179.8°	179.9°
O01	C02	C03	C22	179.9°	179.7°
O01	C02	C03	C04	179.8°	180.0°
O01	C02	C22	C21	179.8°	179.8°
O01	C02	C03	H2	0.2°	0.0°
O01	C02	C22	H10	0.2°	0.0°
C02	C03	C04	H2	180.0°	180.0°
C02	C03	C04	CL05	179.9°	180.0°
C02	C03	C04	C06	0.4°	0.0°
C03	C02	C22	C21	0.1°	0.5°
C03	C02	O01	H1	180.0°	89.8°
C03	C02	C22	H10	179.9°	179.7°
C04	C03	C02	C22	0.1°	0.2°
C03	C04	CL05	C06	179.5°	180.0°
C03	C04	C06	C21	0.7°	0.0°
C03	C04	C06	C07	179.5°	179.9°
C02	C22	C21	H10	180.0°	179.8°
C02	C22	C21	C06	0.4°	0.5°
C22	C02	O01	H1	0.0°	89.9°
C22	C02	C03	H2	179.9°	179.7°
C02	C22	C21	H9	179.6°	179.7°
CL05	C04	C06	C21	179.8°	180.0°
CL05	C04	C06	C07	1.0°	0.1°
CL05	C04	C03	H2	0.1°	0.0°
C04	C06	C21	C22	0.7°	0.2°
C04	C06	C21	C07	178.9°	179.9°
C04	C06	C07	S19	117.7°	58.1°
C06	C04	C03	H2	179.6°	180.0°
C04	C06	C21	H9	179.4°	180.0°
C22	C21	C06	H9	180.0°	179.8°
C22	C21	C06	C07	179.5°	179.7°
C17	C18	S19	C07	0.2°	0.3°
C17	C18	S19	H8	180.0°	179.9°
C17	C18	S19	O20	179.9°	104.8°
C21	C06	C07	S19	61.1°	122.0°
C06	C21	C22	H10	179.6°	179.8°
C06	C07	S19	C18	179.6°	180.0°
C06	C07	S19	O20	0.4°	74.8°
C07	C06	C21	H9	0.5°	0.1°
C07	S19	C18	O20	179.9°	105.1°
C07	S19	C18	H8	179.8°	179.9°
S19	C18	C17	H7	179.7°	179.8°
O20	S19	C18	H8	0.1°	75.0°
H5	C15	C16	H6	0.1°	0.3°
H7	C17	C18	H8	0.3°	0.0°
H9	C21	C22	H10	0.4°	0.0°

Release date:	2017-01-18
Definition date:	2016-10-15
Last modified:	2017-01-13
Release status:	REL
Processing site:	RCSB
Derived from:	5TM3