07R

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O08	C07	sing	1.36Å	1.41Å
C09	C07	doub	1.39Å	1.41Å	Aromatic
C09	C10	sing	1.38Å	1.46Å	Aromatic
C07	C06	sing	1.39Å	1.37Å	Aromatic
C10	C11	doub	1.38Å	1.41Å	Aromatic
C06	C05	doub	1.38Å	1.49Å	Aromatic
C11	C05	sing	1.38Å	1.41Å	Aromatic
C05	C04	sing	1.51Å	1.54Å
C04	N03	sing	1.46Å	1.51Å
N03	C02	sing	1.35Å	1.50Å
C02	O01	doub	1.22Å	1.29Å
C02	N12	sing	1.35Å	1.46Å
N12	C13	sing	1.39Å	1.48Å
C13	N14	doub	1.30Å	1.44Å	Aromatic
C13	S23	sing	1.76Å	1.64Å	Aromatic
N14	C15	sing	1.33Å	1.50Å	Aromatic
S23	C22	sing	1.76Å	1.67Å	Aromatic
C15	C22	doub	1.35Å	1.46Å	Aromatic
C15	C16	sing	1.48Å	1.52Å
C17	C16	doub	1.40Å	1.47Å	Aromatic
C17	C18	sing	1.38Å	1.46Å	Aromatic
C16	C21	sing	1.40Å	1.42Å	Aromatic
C18	N19	doub	1.32Å	1.36Å	Aromatic
C21	C20	doub	1.38Å	1.47Å	Aromatic
N19	C20	sing	1.32Å	1.40Å	Aromatic
N03	H1	sing	0.97Å	1.00Å
C04	H2	sing	1.09Å	1.10Å
C04	H3	sing	1.09Å	1.10Å
C06	H4	sing	1.08Å	1.08Å
O08	H5	sing	0.97Å	0.95Å
C09	H6	sing	1.08Å	1.08Å
C10	H7	sing	1.08Å	1.08Å
C11	H8	sing	1.08Å	1.08Å
N12	H9	sing	0.97Å	1.00Å
C17	H10	sing	1.08Å	1.08Å
C18	H11	sing	1.08Å	1.08Å
C20	H12	sing	1.08Å	1.08Å
C21	H13	sing	1.08Å	1.08Å
C22	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O08	C07	C09	120.9°	120.1°
O08	C07	C06	119.9°	120.0°
C07	O08	H5	109.5°	114.0°
C07	C09	C10	122.0°	120.0°
C09	C07	C06	119.2°	119.9°
C07	C09	H6	119.0°	120.0°
C09	C10	C11	119.7°	120.1°
C10	C09	H6	119.0°	120.0°
C09	C10	H7	120.2°	120.0°
C07	C06	C05	119.4°	120.0°
C07	C06	H4	120.3°	120.1°
C10	C11	C05	118.0°	120.1°
C11	C10	H7	120.1°	119.9°
C10	C11	H8	121.0°	120.0°
C06	C05	C11	121.7°	120.0°
C06	C05	C04	116.1°	120.0°
C05	C06	H4	120.3°	120.0°
C11	C05	C04	122.2°	119.9°
C05	C11	H8	121.0°	119.9°
C05	C04	N03	109.0°	109.4°
C05	C04	H2	109.6°	109.4°
C05	C04	H3	109.6°	109.5°
C04	N03	C02	120.9°	119.9°
C04	N03	H1	119.6°	120.0°
N03	C04	H2	109.6°	109.5°
N03	C04	H3	109.6°	109.5°
N03	C02	O01	121.7°	120.0°
N03	C02	N12	117.9°	120.0°
C02	N03	H1	119.5°	120.0°
O01	C02	N12	120.5°	120.0°
C02	N12	C13	111.7°	120.0°
C02	N12	H9	124.1°	120.0°
N12	C13	N14	128.9°	125.3°
N12	C13	S23	121.6°	125.3°
C13	N12	H9	124.1°	120.0°
N14	C13	S23	109.4°	109.4°
C13	N14	C15	113.9°	117.0°
C13	S23	C22	97.9°	90.0°
N14	C15	C22	106.5°	115.3°
N14	C15	C16	122.1°	122.3°
S23	C22	C15	112.2°	108.2°
S23	C22	H14	123.9°	125.9°
C22	C15	C16	131.3°	122.3°
C15	C22	H14	123.9°	125.9°
C15	C16	C17	117.9°	120.9°
C15	C16	C21	125.5°	120.9°
C16	C17	C18	122.8°	119.0°
C17	C16	C21	116.6°	118.2°
C16	C17	H10	118.6°	120.5°
C17	C18	N19	119.6°	120.9°
C18	C17	H10	118.6°	120.5°
C17	C18	H11	120.2°	119.5°
C16	C21	C20	117.3°	119.0°
C16	C21	H13	121.4°	120.5°
C18	N19	C20	118.5°	122.0°
N19	C18	H11	120.2°	119.6°
C21	C20	N19	125.2°	120.9°
C21	C20	H12	117.4°	119.6°
C20	C21	H13	121.4°	120.5°
N19	C20	H12	117.4°	119.6°
H2	C04	H3	109.3°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O08	C07	C09	C06	178.8°	180.0°
O08	C07	C09	C10	178.5°	180.0°
O08	C07	C06	C05	178.6°	180.0°
O08	C07	C06	H4	1.4°	0.0°
O08	C07	C09	H6	1.5°	0.0°
C07	C09	C10	H6	180.0°	180.0°
C07	C09	C10	C11	0.5°	0.2°
C09	C07	C06	C05	0.3°	0.1°
C09	C07	C06	H4	179.8°	179.9°
C09	C07	O08	H5	180.0°	90.0°
C07	C09	C10	H7	179.6°	180.0°
C10	C09	C07	C06	0.3°	0.1°
C09	C10	C11	H7	180.0°	179.8°
C09	C10	C11	C05	0.5°	0.5°
C09	C10	C11	H8	179.5°	180.0°
C07	C06	C05	H4	180.0°	180.0°
C07	C06	C05	C11	0.3°	0.2°
C07	C06	C05	C04	178.6°	180.0°
C06	C07	O08	H5	1.2°	90.0°
C06	C07	C09	H6	179.7°	180.0°
C10	C11	C05	C06	0.4°	0.5°
C10	C11	C05	H8	180.0°	179.5°
C10	C11	C05	C04	178.6°	179.7°
C11	C10	C09	H6	179.5°	179.8°
C06	C05	C11	C04	178.3°	179.8°
C06	C05	C04	N03	45.9°	90.0°
C06	C05	C04	H2	74.1°	30.0°
C06	C05	C04	H3	165.9°	150.0°
C06	C05	C11	H8	179.6°	180.0°
C11	C05	C04	N03	132.4°	90.3°
C11	C05	C04	H2	107.6°	149.7°
C11	C05	C04	H3	12.4°	29.8°
C11	C05	C06	H4	179.7°	179.8°
C05	C11	C10	H7	179.5°	179.7°
C05	C04	N03	H2	120.0°	120.0°
C05	C04	N03	H3	120.0°	120.0°
C05	C04	N03	C02	109.4°	180.0°
C05	C04	N03	H1	70.6°	0.0°
C05	C04	H2	H3	120.2°	120.0°
C04	C05	C06	H4	1.4°	0.0°
C04	C05	C11	H8	1.4°	0.2°
C04	N03	C02	H1	180.0°	180.0°
C04	N03	C02	O01	101.7°	0.0°
C04	N03	C02	N12	78.1°	179.7°
N03	C04	H2	H3	120.2°	120.0°
N03	C02	O01	N12	179.9°	179.7°
N03	C02	N12	C13	167.8°	179.7°
C02	N03	C04	H2	130.6°	60.0°
C02	N03	C04	H3	10.6°	60.0°
N03	C02	N12	H9	12.2°	0.3°
O01	C02	N12	C13	12.1°	0.0°
O01	C02	N03	H1	78.2°	180.0°
O01	C02	N12	H9	167.9°	180.0°
C02	N12	C13	H9	180.0°	180.0°
C02	N12	C13	N14	122.3°	179.9°
C02	N12	C13	S23	54.0°	0.3°
N12	C02	N03	H1	101.9°	0.3°
N12	C13	N14	S23	176.6°	179.8°
N12	C13	N14	C15	178.1°	180.0°
N12	C13	S23	C22	179.4°	179.9°
N14	C13	S23	C22	2.4°	0.3°
C13	N14	C15	C22	0.4°	0.0°
C13	N14	C15	C16	179.0°	179.9°
N14	C13	N12	H9	57.7°	0.1°
S23	C13	N14	C15	1.5°	0.2°
C13	S23	C22	C15	2.8°	0.3°
S23	C13	N12	H9	126.0°	179.7°
C13	S23	C22	H14	177.2°	179.9°
N14	C15	C22	S23	2.1°	0.3°
N14	C15	C22	C16	179.3°	180.0°
N14	C15	C16	C17	9.6°	179.8°
N14	C15	C16	C21	172.5°	0.0°
N14	C15	C22	H14	177.9°	180.0°
S23	C22	C15	H14	180.0°	179.8°
S23	C22	C15	C16	177.2°	179.7°
C22	C15	C16	C17	169.7°	0.3°
C22	C15	C16	C21	8.2°	180.0°
C15	C16	C17	C21	178.1°	179.8°
C15	C16	C17	C18	179.9°	180.0°
C15	C16	C21	C20	179.9°	179.8°
C15	C16	C17	H10	0.1°	0.0°
C15	C16	C21	H13	0.1°	0.0°
C16	C15	C22	H14	2.8°	0.1°
C16	C17	C18	H10	180.0°	179.9°
C16	C17	C18	N19	0.4°	0.0°
C17	C16	C21	C20	2.2°	0.5°
C16	C17	C18	H11	179.5°	180.0°
C17	C16	C21	H13	177.8°	179.7°
C18	C17	C16	C21	1.8°	0.2°
C17	C18	N19	H11	180.0°	180.0°
C17	C18	N19	C20	0.5°	0.0°
C16	C21	C20	H13	180.0°	179.8°
C16	C21	C20	N19	1.4°	0.5°
C21	C16	C17	H10	178.2°	179.7°
C16	C21	C20	H12	178.6°	179.7°
C18	N19	C20	C21	0.0°	0.3°
N19	C18	C17	H10	179.5°	180.0°
C18	N19	C20	H12	180.0°	179.9°
C21	C20	N19	H12	180.0°	179.8°
C20	N19	C18	H11	179.5°	180.0°
N19	C20	C21	H13	178.6°	179.7°
H1	N03	C04	H2	49.4°	120.0°
H1	N03	C04	H3	169.4°	120.0°
H6	C09	C10	H7	0.4°	0.0°
H7	C10	C11	H8	0.4°	0.2°
H10	C17	C18	H11	0.5°	0.0°
H12	C20	C21	H13	1.4°	0.1°

Definition date:	2011-10-03
Last modified:	2012-08-17
Release status:	REL
Processing site:	RCSB
Derived from:	3TWJ