FG0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S23	C24	sing	1.76Å	1.58Å	Aromatic
S23	C22	sing	1.76Å	1.63Å	Aromatic
C21	C22	sing	1.51Å	1.51Å
C21	C20	sing	1.53Å	1.57Å
C24	C25	doub	1.33Å	1.42Å	Aromatic
C22	C01	doub	1.35Å	1.36Å	Aromatic
C20	O19	sing	1.43Å	1.45Å
C25	C01	sing	1.39Å	1.55Å	Aromatic
C01	C02	sing	1.52Å	1.50Å
O19	C02	sing	1.43Å	1.42Å
C02	C03	sing	1.53Å	1.45Å
C02	C18	sing	1.53Å	1.45Å
C03	C04	sing	1.53Å	1.53Å
C18	C17	sing	1.53Å	1.53Å
C04	N05	sing	1.47Å	1.44Å
C17	N05	sing	1.47Å	1.45Å
N05	C06	sing	1.47Å	1.20Å
C06	C07	sing	1.51Å	1.53Å
C07	C16	doub	1.38Å	1.40Å	Aromatic
C07	C08	sing	1.38Å	1.39Å	Aromatic
C16	C15	sing	1.38Å	1.39Å	Aromatic
C08	C09	doub	1.39Å	1.44Å	Aromatic
C15	C10	doub	1.39Å	1.43Å	Aromatic
C09	C10	sing	1.39Å	1.36Å	Aromatic
C09	O14	sing	1.36Å	1.43Å
C10	O11	sing	1.36Å	1.40Å
O14	C13	sing	1.43Å	1.42Å
O11	C12	sing	1.43Å	1.39Å
C13	C12	sing	1.54Å	1.53Å
C13	H1	sing	1.09Å	1.10Å
C15	H2	sing	1.08Å	1.08Å
C17	H3	sing	1.09Å	1.10Å
C17	H4	sing	1.09Å	1.10Å
C20	H5	sing	1.09Å	1.10Å
C20	H6	sing	1.09Å	1.10Å
C21	H7	sing	1.09Å	1.10Å
C21	H8	sing	1.09Å	1.10Å
C24	H9	sing	1.08Å	1.08Å
C03	H10	sing	1.09Å	1.10Å
C03	H11	sing	1.09Å	1.10Å
C04	H12	sing	1.09Å	1.10Å
C04	H13	sing	1.09Å	1.10Å
C06	H14	sing	1.09Å	1.10Å
C06	H15	sing	1.09Å	1.10Å
C08	H16	sing	1.08Å	1.08Å
C12	H17	sing	1.09Å	1.10Å
C16	H18	sing	1.08Å	1.08Å
C18	H19	sing	1.09Å	1.10Å
C18	H20	sing	1.09Å	1.10Å
C25	H21	sing	1.08Å	1.08Å
C13	H22	sing	1.09Å	1.10Å
C12	H23	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C24	S23	C22	101.5°	91.1°
S23	C24	C25	109.0°	109.6°
S23	C24	H9	125.5°	125.2°
S23	C22	C21	129.8°	126.3°
S23	C22	C01	110.0°	110.0°
C22	C21	C20	111.5°	108.0°
C21	C22	C01	120.2°	123.7°
C22	C21	H7	109.0°	109.8°
C22	C21	H8	109.0°	109.8°
C21	C20	O19	111.7°	109.1°
C21	C20	H5	108.9°	109.5°
C21	C20	H6	108.9°	109.6°
C20	C21	H7	109.0°	109.7°
C20	C21	H8	109.0°	109.8°
C24	C25	C01	110.0°	115.7°
C25	C24	H9	125.5°	125.2°
C24	C25	H21	125.0°	122.1°
C22	C01	C25	109.6°	113.7°
C22	C01	C02	122.8°	121.5°
C20	O19	C02	114.1°	114.3°
O19	C20	H5	108.9°	109.5°
O19	C20	H6	108.9°	109.5°
C25	C01	C02	127.5°	124.8°
C01	C25	H21	125.0°	122.2°
C01	C02	O19	115.0°	108.8°
C01	C02	C03	100.3°	109.2°
C01	C02	C18	122.0°	109.2°
O19	C02	C03	89.4°	110.0°
O19	C02	C18	112.4°	110.0°
C03	C02	C18	111.6°	109.6°
C02	C03	C04	114.6°	109.3°
C02	C03	H10	108.2°	109.5°
C02	C03	H11	108.2°	109.5°
C02	C18	C17	113.7°	109.3°
C02	C18	H19	108.4°	109.5°
C02	C18	H20	108.4°	109.4°
C03	C04	N05	113.5°	109.5°
C04	C03	H10	108.2°	109.4°
C04	C03	H11	108.2°	109.5°
C03	C04	H12	108.5°	109.5°
C03	C04	H13	108.5°	109.5°
C18	C17	N05	113.8°	109.6°
C18	C17	H3	108.4°	109.5°
C18	C17	H4	108.4°	109.5°
C17	C18	H19	108.4°	109.6°
C17	C18	H20	108.4°	109.5°
C04	N05	C17	110.0°	111.2°
C04	N05	C06	107.3°	111.0°
N05	C04	H12	108.5°	109.5°
N05	C04	H13	108.5°	109.5°
C17	N05	C06	106.5°	111.1°
N05	C17	H3	108.4°	109.4°
N05	C17	H4	108.4°	109.4°
N05	C06	C07	117.1°	109.5°
N05	C06	H14	107.5°	109.4°
N05	C06	H15	107.5°	109.5°
C06	C07	C16	118.2°	119.9°
C06	C07	C08	122.5°	119.9°
C07	C06	H14	107.5°	109.5°
C07	C06	H15	107.5°	109.5°
C16	C07	C08	119.3°	120.1°
C07	C16	C15	120.6°	120.1°
C07	C16	H18	119.7°	119.9°
C07	C08	C09	120.3°	120.1°
C07	C08	H16	119.9°	120.0°
C16	C15	C10	120.1°	120.1°
C16	C15	H2	120.0°	119.9°
C15	C16	H18	119.7°	120.0°
C08	C09	C10	120.0°	119.8°
C08	C09	O14	117.8°	119.4°
C09	C08	H16	119.9°	119.9°
C15	C10	C09	119.7°	119.8°
C15	C10	O11	117.2°	119.4°
C10	C15	H2	119.9°	119.9°
C10	C09	O14	122.2°	120.8°
C09	C10	O11	123.1°	120.8°
C09	O14	C13	116.4°	116.7°
C10	O11	C12	117.3°	116.7°
O14	C13	C12	116.4°	108.2°
O14	C13	H1	107.7°	109.9°
O14	C13	H22	107.7°	109.6°
O11	C12	C13	117.3°	108.0°
O11	C12	H17	107.5°	109.8°
O11	C12	H23	107.5°	109.8°
C12	C13	H1	107.7°	109.8°
C13	C12	H17	107.5°	109.8°
C12	C13	H22	107.7°	109.7°
C13	C12	H23	107.5°	109.7°
H1	C13	H22	109.5°	109.6°
H3	C17	H4	109.5°	109.4°
H5	C20	H6	109.5°	109.6°
H7	C21	H8	109.4°	109.9°
H10	C03	H11	109.5°	109.5°
H12	C04	H13	109.5°	109.4°
H14	C06	H15	109.5°	109.5°
H17	C12	H23	109.5°	109.7°
H19	C18	H20	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C24	S23	C22	C21	179.9°	180.0°
S23	C24	C25	H9	180.0°	179.9°
C24	S23	C22	C01	0.1°	0.1°
S23	C24	C25	C01	0.1°	0.0°
S23	C24	C25	H21	180.0°	180.0°
S23	C22	C21	C01	179.9°	179.9°
S23	C22	C21	C20	163.9°	164.2°
C22	S23	C24	C25	0.1°	0.0°
S23	C22	C01	C25	0.1°	0.1°
S23	C22	C01	C02	180.0°	180.0°
S23	C22	C21	H7	43.5°	44.7°
S23	C22	C21	H8	75.8°	76.2°
C22	S23	C24	H9	179.9°	180.0°
C22	C21	C20	H7	120.3°	119.6°
C22	C21	C20	H8	120.3°	119.6°
C22	C21	C20	O19	44.4°	47.5°
C21	C22	C01	C25	180.0°	180.0°
C21	C22	C01	C02	0.1°	0.1°
C22	C21	C20	H5	75.9°	167.4°
C22	C21	C20	H6	164.7°	72.4°
C22	C21	H7	H8	119.1°	120.8°
C20	C21	C22	C01	16.2°	15.7°
C21	C20	O19	H5	120.3°	119.9°
C21	C20	O19	H6	120.4°	120.0°
C21	C20	O19	C02	58.7°	70.7°
C21	C20	H5	H6	119.0°	120.3°
C20	C21	H7	H8	119.1°	120.8°
C24	C25	C01	C22	0.0°	0.0°
C24	C25	C01	H21	180.0°	180.0°
C24	C25	C01	C02	179.9°	180.0°
C22	C01	C25	C02	179.9°	179.9°
C22	C01	C02	O19	11.7°	15.7°
C22	C01	C02	C03	105.9°	104.4°
C22	C01	C02	C18	130.4°	135.7°
C01	C22	C21	H7	136.5°	135.2°
C01	C22	C21	H8	104.1°	103.9°
C22	C01	C25	H21	180.0°	180.0°
C20	O19	C02	C01	41.6°	51.5°
C20	O19	C02	C03	142.8°	68.0°
C20	O19	C02	C18	104.1°	171.2°
O19	C20	H5	H6	119.0°	120.1°
O19	C20	C21	H7	164.7°	167.1°
O19	C20	C21	H8	75.9°	72.1°
C25	C01	C02	O19	168.4°	164.3°
C25	C01	C02	C03	74.2°	75.7°
C25	C01	C02	C18	49.5°	44.2°
C01	C25	C24	H9	179.9°	180.0°
C01	C02	O19	C03	101.1°	119.6°
C01	C02	O19	C18	145.7°	119.6°
C01	C02	C03	C18	130.7°	119.6°
C01	C02	C03	C04	177.9°	176.9°
C01	C02	C18	C17	165.9°	176.8°
C01	C02	C03	H10	61.4°	63.3°
C01	C02	C03	H11	57.2°	56.9°
C01	C02	C18	H19	45.3°	63.2°
C01	C02	C18	H20	73.5°	56.8°
C02	C01	C25	H21	0.1°	0.0°
O19	C02	C03	C18	114.0°	121.0°
O19	C02	C03	C04	66.7°	63.8°
O19	C02	C18	C17	51.1°	63.8°
C02	O19	C20	H5	61.7°	169.4°
C02	O19	C20	H6	179.0°	49.2°
O19	C02	C03	H10	54.0°	56.1°
O19	C02	C03	H11	172.5°	176.2°
O19	C02	C18	H19	171.7°	56.2°
O19	C02	C18	H20	69.5°	176.2°
C02	C03	C04	H10	120.7°	119.9°
C02	C03	C04	H11	120.7°	120.0°
C03	C02	C18	C17	47.5°	57.2°
C02	C03	C04	N05	51.0°	58.9°
C02	C03	H10	H11	117.7°	120.1°
C02	C03	C04	H12	69.7°	61.1°
C02	C03	C04	H13	171.6°	178.9°
C03	C02	C18	H19	73.1°	177.2°
C03	C02	C18	H20	168.1°	62.8°
C18	C02	C03	C04	47.2°	57.2°
C02	C18	C17	H19	120.6°	120.0°
C02	C18	C17	H20	120.6°	119.9°
C02	C18	C17	N05	52.2°	58.8°
C02	C18	C17	H3	172.9°	178.8°
C02	C18	C17	H4	68.4°	61.2°
C18	C02	C03	H10	168.0°	177.1°
C18	C02	C03	H11	73.5°	62.8°
C02	C18	H19	H20	118.1°	120.0°
C03	C04	N05	H12	120.6°	120.0°
C03	C04	N05	H13	120.6°	120.0°
C03	C04	N05	C17	52.2°	61.8°
C03	C04	N05	C06	167.6°	174.0°
C04	C03	H10	H11	117.7°	120.1°
C03	C04	H12	H13	118.2°	120.0°
C18	C17	N05	C04	53.1°	61.8°
C18	C17	N05	H3	120.7°	120.0°
C18	C17	N05	H4	120.6°	120.0°
C18	C17	N05	C06	169.1°	174.1°
C18	C17	H3	H4	118.0°	120.0°
C17	C18	H19	H20	118.1°	120.1°
C04	N05	C17	C06	116.0°	124.2°
C04	N05	C06	C07	89.7°	65.7°
C04	N05	C17	H3	173.8°	178.2°
C04	N05	C17	H4	67.5°	58.3°
N05	C04	C03	H10	171.7°	178.8°
N05	C04	C03	H11	69.8°	61.1°
N05	C04	H12	H13	118.2°	120.0°
C04	N05	C06	H14	149.2°	54.3°
C04	N05	C06	H15	31.4°	174.3°
C17	N05	C06	C07	152.5°	170.0°
N05	C17	H3	H4	118.0°	119.9°
C17	N05	C04	H12	68.4°	58.3°
C17	N05	C04	H13	172.7°	178.2°
C17	N05	C06	H14	31.4°	70.0°
C17	N05	C06	H15	86.4°	50.0°
N05	C17	C18	H19	68.4°	178.8°
N05	C17	C18	H20	172.8°	61.1°
N05	C06	C07	H14	121.1°	120.0°
N05	C06	C07	H15	121.1°	120.0°
N05	C06	C07	C16	125.8°	90.0°
N05	C06	C07	C08	56.1°	89.7°
C06	N05	C17	H3	70.2°	54.0°
C06	N05	C17	H4	48.5°	65.9°
C06	N05	C04	H12	47.0°	65.9°
C06	N05	C04	H13	71.8°	54.0°
N05	C06	H14	H15	116.5°	119.9°
C06	C07	C16	C08	178.2°	179.6°
C06	C07	C16	C15	178.9°	179.9°
C06	C07	C08	C09	178.7°	180.0°
C07	C06	H14	H15	116.5°	120.0°
C06	C07	C08	H16	1.3°	0.1°
C06	C07	C16	H18	1.1°	0.4°
C07	C16	C15	H18	180.0°	179.7°
C16	C07	C08	C09	0.5°	0.4°
C07	C16	C15	C10	0.4°	0.0°
C07	C16	C15	H2	179.6°	180.0°
C16	C07	C06	H14	113.1°	150.0°
C16	C07	C06	H15	4.7°	30.0°
C16	C07	C08	H16	179.5°	179.7°
C08	C07	C16	C15	0.7°	0.3°
C07	C08	C09	H16	180.0°	179.9°
C07	C08	C09	C10	0.1°	0.2°
C07	C08	C09	O14	179.8°	179.5°
C08	C07	C06	H14	65.0°	30.3°
C08	C07	C06	H15	177.2°	150.3°
C08	C07	C16	H18	179.3°	180.0°
C16	C15	C10	H2	180.0°	180.0°
C16	C15	C10	C09	0.1°	0.1°
C16	C15	C10	O11	179.8°	179.9°
C08	C09	C10	C15	0.2°	0.0°
C08	C09	C10	O14	179.9°	179.8°
C08	C09	C10	O11	179.7°	179.8°
C08	C09	O14	C13	172.1°	163.0°
C15	C10	C09	O11	179.9°	179.8°
C15	C10	C09	O14	179.9°	179.8°
C15	C10	O11	C12	171.0°	162.7°
C10	C15	C16	H18	179.6°	179.7°
C10	C09	O14	C13	8.0°	17.3°
C09	C10	O11	C12	8.9°	17.6°
C09	C10	C15	H2	179.9°	179.9°
C10	C09	C08	H16	179.9°	179.8°
O14	C09	C10	O11	0.2°	0.4°
C09	O14	C13	C12	23.5°	46.3°
C09	O14	C13	H1	144.5°	73.5°
O14	C09	C08	H16	0.2°	0.4°
C09	O14	C13	H22	97.5°	165.9°
C10	O11	C12	C13	24.7°	46.5°
O11	C10	C15	H2	0.2°	0.1°
C10	O11	C12	H17	145.8°	73.1°
C10	O11	C12	H23	96.4°	166.2°
O14	C13	C12	O11	32.8°	60.0°
O14	C13	C12	H1	121.0°	120.0°
O14	C13	C12	H22	121.0°	119.5°
O14	C13	H1	H22	116.9°	120.5°
O14	C13	C12	H17	153.9°	59.7°
O14	C13	C12	H23	88.3°	179.7°
O11	C12	C13	H17	121.1°	119.7°
O11	C12	C13	H23	121.1°	119.7°
O11	C12	C13	H1	153.8°	60.0°
O11	C12	H17	H23	116.5°	120.8°
O11	C12	C13	H22	88.2°	179.5°
C12	C13	H1	H22	116.8°	120.6°
C13	C12	H17	H23	116.5°	120.6°
H1	C13	C12	H17	85.1°	179.7°
H1	C13	C12	H23	32.7°	59.7°
H2	C15	C16	H18	0.4°	0.3°
H3	C17	C18	H19	52.3°	61.2°
H3	C17	C18	H20	66.5°	58.9°
H4	C17	C18	H19	171.0°	58.8°
H4	C17	C18	H20	52.2°	178.9°
H5	C20	C21	H7	44.4°	73.1°
H5	C20	C21	H8	163.7°	47.8°
H6	C20	C21	H7	75.0°	47.2°
H6	C20	C21	H8	44.4°	168.0°
H9	C24	C25	H21	0.1°	0.0°
H10	C03	C04	H12	51.1°	58.8°
H10	C03	C04	H13	67.7°	61.2°
H11	C03	C04	H12	169.6°	178.8°
H11	C03	C04	H13	50.8°	58.9°
H17	C12	C13	H22	32.9°	59.8°
H22	C13	C12	H23	150.7°	60.8°

Release date:	2020-12-02
Definition date:	2020-05-11
Last modified:	2020-11-27
Release status:	REL
Processing site:	PDBJ
Derived from:	7C2N