5RD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	N12	sing	1.47Å	1.44Å
C13	C14	sing	1.53Å	1.52Å
C11	N12	sing	1.47Å	1.44Å
C11	C04	sing	1.51Å	1.54Å
C15	C14	sing	1.53Å	1.54Å
C15	C16	sing	1.53Å	1.52Å
C04	C03	doub	1.38Å	1.39Å	Aromatic
C04	C05	sing	1.38Å	1.41Å	Aromatic
C03	C02	sing	1.38Å	1.40Å	Aromatic
C05	C06	doub	1.38Å	1.40Å	Aromatic
C02	C01	doub	1.38Å	1.40Å	Aromatic
C06	C01	sing	1.38Å	1.41Å	Aromatic
C01	S07	sing	1.76Å	1.79Å
N10	S07	sing	1.66Å	1.62Å
O08	S07	doub	1.42Å	1.44Å
S07	O09	doub	1.42Å	1.44Å
C11	H1	sing	1.09Å	1.10Å
C11	H2	sing	1.09Å	1.10Å
C13	H3	sing	1.09Å	1.10Å
C13	H4	sing	1.09Å	1.10Å
C14	H5	sing	1.09Å	1.10Å
C14	H6	sing	1.09Å	1.10Å
C15	H7	sing	1.09Å	1.10Å
C15	H8	sing	1.09Å	1.10Å
C16	H9	sing	1.09Å	1.10Å
C16	H10	sing	1.09Å	1.10Å
C16	H11	sing	1.09Å	1.10Å
C02	H12	sing	1.08Å	1.08Å
C03	H13	sing	1.08Å	1.08Å
C05	H14	sing	1.08Å	1.08Å
C06	H15	sing	1.08Å	1.08Å
N10	H16	sing	0.97Å	1.00Å
N10	H17	sing	0.97Å	1.00Å
N12	H18	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N12	C13	C14	109.2°	109.5°
C13	N12	C11	110.6°	111.0°
N12	C13	H3	109.5°	109.4°
N12	C13	H4	109.6°	109.5°
C13	N12	H18	109.2°	111.0°
C13	C14	C15	109.6°	109.4°
C14	C13	H3	109.6°	109.5°
C14	C13	H4	109.5°	109.5°
C13	C14	H5	109.5°	109.5°
C13	C14	H6	109.5°	109.5°
N12	C11	C04	110.4°	109.5°
N12	C11	H1	109.2°	109.5°
N12	C11	H2	109.2°	109.4°
C11	N12	H18	109.2°	111.0°
C11	C04	C03	118.5°	120.0°
C11	C04	C05	121.8°	120.0°
C04	C11	H1	109.2°	109.5°
C04	C11	H2	109.3°	109.5°
C14	C15	C16	109.8°	109.5°
C15	C14	H5	109.4°	109.5°
C15	C14	H6	109.4°	109.5°
C14	C15	H7	109.4°	109.5°
C14	C15	H8	109.4°	109.5°
C16	C15	H7	109.4°	109.5°
C16	C15	H8	109.4°	109.5°
C15	C16	H9	109.5°	109.5°
C15	C16	H10	109.5°	109.5°
C15	C16	H11	109.4°	109.5°
C03	C04	C05	119.7°	120.0°
C04	C03	C02	120.6°	120.0°
C04	C03	H13	119.7°	120.0°
C04	C05	C06	120.2°	120.0°
C04	C05	H14	119.9°	120.0°
C03	C02	C01	119.5°	119.9°
C03	C02	H12	120.2°	120.0°
C02	C03	H13	119.7°	120.0°
C05	C06	C01	119.5°	120.0°
C06	C05	H14	119.9°	120.0°
C05	C06	H15	120.2°	120.0°
C02	C01	C06	120.5°	120.0°
C02	C01	S07	119.4°	120.0°
C01	C02	H12	120.2°	120.0°
C06	C01	S07	120.1°	120.0°
C01	C06	H15	120.3°	120.0°
C01	S07	N10	107.8°	107.2°
C01	S07	O08	106.1°	106.4°
C01	S07	O09	107.7°	106.4°
N10	S07	O08	111.3°	106.4°
N10	S07	O09	111.2°	106.4°
S07	N10	H16	109.5°	120.0°
S07	N10	H17	109.5°	120.0°
O08	S07	O09	112.4°	123.1°
H1	C11	H2	109.5°	109.5°
H3	C13	H4	109.5°	109.5°
H5	C14	H6	109.4°	109.5°
H7	C15	H8	109.5°	109.5°
H9	C16	H10	109.5°	109.5°
H9	C16	H11	109.5°	109.5°
H10	C16	H11	109.5°	109.4°
H16	N10	H17	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N12	C13	C14	H3	119.9°	120.0°
N12	C13	C14	H4	119.9°	120.0°
C13	N12	C11	H18	120.2°	123.9°
C13	N12	C11	C04	165.0°	180.0°
N12	C13	C14	C15	174.5°	180.0°
C13	N12	C11	H1	44.9°	60.0°
C13	N12	C11	H2	74.8°	60.1°
N12	C13	H3	H4	120.1°	120.0°
N12	C13	C14	H5	54.5°	60.0°
N12	C13	C14	H6	65.4°	60.0°
C14	C13	N12	C11	132.4°	180.0°
C13	C14	C15	H5	120.0°	120.0°
C13	C14	C15	H6	120.0°	120.0°
C13	C14	C15	C16	171.0°	180.0°
C14	C13	H3	H4	120.1°	120.0°
C13	C14	H5	H6	120.0°	120.0°
C13	C14	C15	H7	50.9°	60.0°
C13	C14	C15	H8	69.0°	60.0°
C14	C13	N12	H18	107.4°	56.0°
N12	C11	C04	H1	120.1°	120.0°
N12	C11	C04	H2	120.1°	120.0°
N12	C11	C04	C03	145.4°	90.0°
N12	C11	C04	C05	34.8°	90.1°
N12	C11	H1	H2	119.6°	120.0°
C11	N12	C13	H3	107.6°	60.0°
C11	N12	C13	H4	12.5°	60.0°
C11	C04	C03	C05	179.8°	180.0°
C11	C04	C03	C02	179.3°	180.0°
C11	C04	C05	C06	179.6°	179.7°
C04	C11	H1	H2	119.6°	120.0°
C11	C04	C03	H13	0.7°	0.1°
C11	C04	C05	H14	0.4°	0.1°
C04	C11	N12	H18	74.8°	56.1°
C14	C15	C16	H7	120.1°	120.0°
C14	C15	C16	H8	120.1°	120.0°
C15	C14	C13	H3	65.5°	60.0°
C15	C14	C13	H4	54.6°	60.0°
C15	C14	H5	H6	119.9°	120.0°
C14	C15	H7	H8	119.8°	120.0°
C14	C15	C16	H9	180.0°	60.0°
C14	C15	C16	H10	60.0°	60.0°
C14	C15	C16	H11	60.0°	180.0°
C16	C15	C14	H5	69.0°	60.0°
C16	C15	C14	H6	50.9°	60.0°
C16	C15	H7	H8	119.8°	120.0°
C15	C16	H9	H10	120.0°	120.0°
C15	C16	H9	H11	120.0°	120.0°
C15	C16	H10	H11	120.0°	120.0°
C04	C03	C02	H13	180.0°	179.9°
C03	C04	C05	C06	0.2°	0.3°
C04	C03	C02	C01	0.9°	0.0°
C03	C04	C11	H1	25.3°	150.0°
C03	C04	C11	H2	94.4°	30.0°
C04	C03	C02	H12	179.1°	180.0°
C03	C04	C05	H14	179.8°	180.0°
C05	C04	C03	C02	0.5°	0.0°
C04	C05	C06	H14	180.0°	179.6°
C04	C05	C06	C01	0.4°	0.6°
C05	C04	C11	H1	154.9°	29.9°
C05	C04	C11	H2	85.3°	150.0°
C05	C04	C03	H13	179.5°	179.9°
C04	C05	C06	H15	179.7°	180.0°
C03	C02	C01	H12	180.0°	179.9°
C03	C02	C01	C06	1.1°	0.3°
C03	C02	C01	S07	179.6°	180.0°
C05	C06	C01	C02	0.8°	0.6°
C05	C06	C01	H15	180.0°	179.4°
C05	C06	C01	S07	179.9°	179.7°
C02	C01	C06	S07	179.3°	179.7°
C02	C01	S07	N10	131.7°	90.0°
C02	C01	S07	O08	12.3°	156.4°
C02	C01	S07	O09	108.3°	23.5°
C01	C02	C03	H13	179.1°	179.9°
C02	C01	C06	H15	179.2°	180.0°
C06	C01	S07	N10	47.6°	90.3°
C06	C01	S07	O08	166.9°	23.3°
C06	C01	S07	O09	72.5°	156.2°
C06	C01	C02	H12	178.9°	179.7°
C01	C06	C05	H14	179.6°	179.7°
C01	S07	N10	O08	116.0°	113.6°
C01	S07	N10	O09	117.9°	113.6°
C01	S07	O08	O09	117.5°	123.0°
S07	C01	C02	H12	0.4°	0.1°
S07	C01	C06	H15	0.0°	0.3°
C01	S07	N10	H16	180.0°	0.1°
C01	S07	N10	H17	60.0°	180.0°
N10	S07	O08	O09	125.5°	122.9°
S07	N10	H16	H17	120.0°	179.9°
O08	S07	N10	H16	64.1°	113.6°
O08	S07	N10	H17	56.0°	66.5°
O09	S07	N10	H16	62.1°	113.5°
O09	S07	N10	H17	177.9°	66.4°
H1	C11	N12	H18	165.1°	63.9°
H2	C11	N12	H18	45.4°	176.0°
H3	C13	C14	H5	174.5°	60.0°
H3	C13	C14	H6	54.5°	180.0°
H3	C13	N12	H18	12.5°	176.0°
H4	C13	C14	H5	65.4°	180.0°
H4	C13	C14	H6	174.6°	60.0°
H4	C13	N12	H18	132.6°	64.0°
H5	C14	C15	H7	170.9°	180.0°
H5	C14	C15	H8	51.1°	60.0°
H6	C14	C15	H7	69.1°	60.0°
H6	C14	C15	H8	171.0°	180.0°
H7	C15	C16	H9	59.9°	180.0°
H7	C15	C16	H10	179.9°	60.0°
H7	C15	C16	H11	60.1°	60.0°
H8	C15	C16	H9	59.9°	60.0°
H8	C15	C16	H10	60.1°	NaN°
H8	C15	C16	H11	179.9°	60.0°
H9	C16	H10	H11	120.0°	120.0°
H12	C02	C03	H13	0.9°	0.0°
H14	C05	C06	H15	0.3°	0.4°

Release date:	2016-01-05
Definition date:	2015-11-17
Last modified:	2015-12-31
Release status:	REL
Processing site:	RCSB
Derived from:	5EKH