61L

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C19	C12	sing	1.51Å	1.50Å
C13	C12	doub	1.39Å	1.38Å	Aromatic
C13	C14	sing	1.38Å	1.38Å	Aromatic
C12	C11	sing	1.38Å	1.39Å	Aromatic
C14	C10	doub	1.40Å	1.39Å	Aromatic
C11	C09	doub	1.39Å	1.39Å	Aromatic
C10	C09	sing	1.40Å	1.39Å	Aromatic
C10	C15	sing	1.47Å	1.52Å
C09	N08	sing	1.39Å	1.43Å
C15	O16	doub	1.21Å	1.26Å
C15	O17	sing	1.35Å	1.27Å
S07	C18	sing	1.81Å	1.78Å
S07	C06	sing	1.76Å	1.77Å
N08	C05	sing	1.40Å	1.43Å
C06	C05	doub	1.40Å	1.40Å	Aromatic
C06	C01	sing	1.39Å	1.39Å	Aromatic
C05	C04	sing	1.39Å	1.40Å	Aromatic
C01	C02	doub	1.38Å	1.38Å	Aromatic
C04	C20	sing	1.51Å	1.51Å
C04	C03	doub	1.38Å	1.39Å	Aromatic
C02	C03	sing	1.38Å	1.39Å	Aromatic
C01	H1	sing	1.08Å	1.08Å
C02	H2	sing	1.08Å	1.08Å
C03	H3	sing	1.08Å	1.08Å
N08	H4	sing	0.97Å	1.00Å
C11	H5	sing	1.08Å	1.08Å
C13	H6	sing	1.08Å	1.08Å
C14	H7	sing	1.08Å	1.08Å
O17	H8	sing	0.97Å	0.95Å
C18	H9	sing	1.09Å	1.10Å
C18	H10	sing	1.09Å	1.10Å
C18	H11	sing	1.09Å	1.10Å
C19	H12	sing	1.09Å	1.10Å
C19	H13	sing	1.09Å	1.10Å
C19	H14	sing	1.09Å	1.10Å
C20	H15	sing	1.09Å	1.10Å
C20	H16	sing	1.09Å	1.10Å
C20	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C19	C12	C13	119.2°	119.8°
C19	C12	C11	119.8°	119.8°
C12	C19	H12	109.5°	109.5°
C12	C19	H13	109.5°	109.5°
C12	C19	H14	109.5°	109.5°
C12	C13	C14	119.1°	120.4°
C13	C12	C11	121.0°	120.5°
C12	C13	H6	120.4°	119.8°
C13	C14	C10	120.2°	119.9°
C14	C13	H6	120.5°	119.8°
C13	C14	H7	119.9°	120.0°
C12	C11	C09	120.3°	120.1°
C12	C11	H5	119.8°	120.0°
C14	C10	C09	120.9°	119.6°
C14	C10	C15	119.4°	120.2°
C10	C14	H7	119.9°	120.1°
C11	C09	C10	118.5°	119.6°
C11	C09	N08	122.1°	120.2°
C09	C11	H5	119.9°	119.9°
C09	C10	C15	119.6°	120.2°
C10	C09	N08	119.3°	120.2°
C10	C15	O16	119.3°	120.0°
C10	C15	O17	120.8°	120.0°
C09	N08	C05	124.1°	120.0°
C09	N08	H4	118.0°	120.0°
O16	C15	O17	119.9°	120.0°
C15	O17	H8	109.5°	117.0°
C18	S07	C06	108.7°	103.0°
S07	C18	H9	109.5°	109.5°
S07	C18	H10	109.5°	109.5°
S07	C18	H11	109.5°	109.5°
S07	C06	C05	121.0°	120.1°
S07	C06	C01	118.4°	120.1°
N08	C05	C06	118.8°	120.1°
N08	C05	C04	121.8°	120.1°
C05	N08	H4	118.0°	119.9°
C05	C06	C01	120.6°	119.8°
C06	C05	C04	119.3°	119.8°
C06	C01	C02	119.7°	120.0°
C06	C01	H1	120.2°	120.0°
C05	C04	C20	122.6°	120.0°
C05	C04	C03	119.7°	120.0°
C01	C02	C03	120.1°	120.3°
C02	C01	H1	120.1°	120.0°
C01	C02	H2	120.0°	119.9°
C20	C04	C03	117.7°	120.0°
C04	C20	H15	109.5°	109.5°
C04	C20	H16	109.5°	109.4°
C04	C20	H17	109.4°	109.5°
C04	C03	C02	120.6°	120.2°
C04	C03	H3	119.7°	119.9°
C03	C02	H2	119.9°	119.9°
C02	C03	H3	119.7°	119.9°
H9	C18	H10	109.5°	109.4°
H9	C18	H11	109.5°	109.5°
H10	C18	H11	109.5°	109.4°
H12	C19	H13	109.5°	109.4°
H12	C19	H14	109.5°	109.5°
H13	C19	H14	109.5°	109.4°
H15	C20	H16	109.4°	109.5°
H15	C20	H17	109.5°	109.5°
H16	C20	H17	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C19	C12	C13	C11	179.8°	180.0°
C19	C12	C13	C14	179.8°	179.7°
C19	C12	C11	C09	179.3°	180.0°
C19	C12	C11	H5	0.7°	0.0°
C19	C12	C13	H6	0.2°	0.0°
C12	C19	H12	H13	120.0°	120.0°
C12	C19	H12	H14	120.0°	120.0°
C12	C19	H13	H14	120.0°	120.0°
C12	C13	C14	H6	180.0°	179.7°
C12	C13	C14	C10	0.2°	0.3°
C13	C12	C11	C09	0.6°	0.0°
C13	C12	C11	H5	179.4°	180.0°
C12	C13	C14	H7	179.7°	180.0°
C13	C12	C19	H12	89.9°	90.0°
C13	C12	C19	H13	150.1°	30.0°
C13	C12	C19	H14	30.1°	150.0°
C14	C13	C12	C11	0.1°	0.3°
C13	C14	C10	H7	180.0°	179.7°
C13	C14	C10	C09	0.1°	0.0°
C13	C14	C10	C15	179.7°	180.0°
C12	C11	C09	H5	180.0°	180.0°
C12	C11	C09	C10	0.7°	0.3°
C12	C11	C09	N08	179.2°	180.0°
C11	C12	C13	H6	179.9°	180.0°
C11	C12	C19	H12	89.9°	90.0°
C11	C12	C19	H13	30.1°	150.0°
C11	C12	C19	H14	150.1°	30.0°
C14	C10	C09	C11	0.4°	0.3°
C14	C10	C09	C15	179.7°	180.0°
C14	C10	C09	N08	179.5°	180.0°
C14	C10	C15	O16	40.5°	173.9°
C14	C10	C15	O17	140.3°	6.1°
C10	C14	C13	H6	179.7°	180.0°
C11	C09	C10	N08	179.9°	179.7°
C11	C09	C10	C15	179.8°	179.7°
C11	C09	N08	C05	8.2°	109.9°
C11	C09	N08	H4	171.8°	70.1°
C09	C10	C15	O16	139.3°	6.1°
C09	C10	C15	O17	40.0°	173.9°
C10	C09	N08	C05	171.9°	69.8°
C10	C09	N08	H4	8.1°	110.2°
C10	C09	C11	H5	179.3°	179.7°
C09	C10	C14	H7	179.9°	179.7°
C15	C10	C09	N08	0.2°	0.0°
C10	C15	O16	O17	179.2°	180.0°
C15	C10	C14	H7	0.4°	0.3°
C10	C15	O17	H8	179.2°	180.0°
C09	N08	C05	H4	180.0°	180.0°
C09	N08	C05	C06	110.4°	27.1°
C09	N08	C05	C04	71.4°	152.6°
N08	C09	C11	H5	0.8°	0.0°
O16	C15	O17	H8	0.0°	0.0°
C18	S07	C06	C05	163.3°	180.0°
C18	S07	C06	C01	17.0°	0.6°
S07	C18	H9	H10	120.0°	120.0°
S07	C18	H9	H11	120.0°	120.1°
S07	C18	H10	H11	120.0°	120.0°
S07	C06	C05	N08	0.9°	0.3°
S07	C06	C05	C01	179.7°	179.4°
S07	C06	C05	C04	179.1°	180.0°
S07	C06	C01	C02	179.5°	180.0°
S07	C06	C01	H1	0.5°	0.3°
C06	S07	C18	H9	180.0°	60.0°
C06	S07	C18	H10	60.0°	60.0°
C06	S07	C18	H11	60.0°	180.0°
N08	C05	C06	C04	178.2°	179.7°
N08	C05	C06	C01	179.4°	179.7°
N08	C05	C04	C20	0.7°	0.0°
N08	C05	C04	C03	179.1°	180.0°
C05	C06	C01	C02	0.8°	0.6°
C06	C05	C04	C20	178.9°	179.7°
C06	C05	C04	C03	0.9°	0.3°
C05	C06	C01	H1	179.2°	179.7°
C06	C05	N08	H4	69.5°	152.9°
C01	C06	C05	C04	1.2°	0.6°
C06	C01	C02	H1	180.0°	179.7°
C06	C01	C02	C03	0.1°	0.3°
C06	C01	C02	H2	179.9°	179.7°
C05	C04	C20	C03	179.8°	179.9°
C05	C04	C03	C02	0.2°	0.0°
C05	C04	C03	H3	179.8°	180.0°
C04	C05	N08	H4	108.6°	27.4°
C05	C04	C20	H15	89.9°	90.0°
C05	C04	C20	H16	150.1°	30.0°
C05	C04	C20	H17	30.1°	149.9°
C01	C02	C03	C04	0.2°	0.0°
C01	C02	C03	H2	180.0°	180.0°
C01	C02	C03	H3	179.8°	180.0°
C20	C04	C03	C02	179.6°	180.0°
C20	C04	C03	H3	0.4°	0.0°
C04	C20	H15	H16	120.0°	120.0°
C04	C20	H15	H17	120.0°	120.1°
C04	C20	H16	H17	120.0°	120.0°
C04	C03	C02	H3	180.0°	180.0°
C04	C03	C02	H2	179.8°	180.0°
C03	C04	C20	H15	89.9°	90.0°
C03	C04	C20	H16	30.1°	150.0°
C03	C04	C20	H17	150.1°	30.0°
C03	C02	C01	H1	179.9°	180.0°
H1	C01	C02	H2	0.1°	0.0°
H2	C02	C03	H3	0.2°	0.0°
H6	C13	C14	H7	0.3°	0.3°
H9	C18	H10	H11	120.0°	120.0°
H12	C19	H13	H14	120.0°	120.0°
H15	C20	H16	H17	120.0°	120.0°

Release date:	2016-05-11
Definition date:	2015-05-06
Last modified:	2016-05-06
Release status:	REL
Processing site:	RCSB
Derived from:	4ZOJ