FGE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	C8	sing	1.51Å	1.46Å
N15	C8	sing	1.31Å	1.36Å	Aromatic
N15	C9	doub	1.30Å	1.31Å	Aromatic
N18	C9	sing	1.39Å	1.40Å
N18	C11	sing	1.35Å	1.37Å
C14	C11	sing	1.51Å	1.50Å
C8	C7	doub	1.35Å	1.38Å	Aromatic
C9	S23	sing	1.71Å	1.73Å	Aromatic
C11	O20	doub	1.21Å	1.22Å
C7	S23	sing	1.76Å	1.72Å	Aromatic
C7	C3	sing	1.47Å	1.44Å
C1	C5	doub	1.38Å	1.37Å	Aromatic
C1	C3	sing	1.41Å	1.39Å	Aromatic
C12	C5	sing	1.47Å	1.48Å
C12	N16	doub	1.30Å	1.44Å
C5	C4	sing	1.42Å	1.36Å	Aromatic
C3	C2	doub	1.40Å	1.38Å	Aromatic
N16	C10	sing	1.34Å	1.37Å
C4	C10	sing	1.48Å	1.46Å
C4	C6	doub	1.38Å	1.38Å	Aromatic
C2	C6	sing	1.39Å	1.38Å	Aromatic
C10	O19	doub	1.22Å	1.22Å
C6	S24	sing	1.76Å	1.76Å
O21	S24	doub	1.42Å	1.45Å
S24	N17	sing	1.66Å	1.70Å
S24	O22	doub	1.42Å	1.45Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C12	H3	sing	1.08Å	1.08Å
C13	H4	sing	1.09Å	1.10Å
C13	H5	sing	1.09Å	1.10Å
C13	H6	sing	1.09Å	1.10Å
C14	H7	sing	1.09Å	1.10Å
C14	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.09Å	1.10Å
N18	H10	sing	0.97Å	1.00Å
N17	H11	sing	0.97Å	1.00Å
N17	H12	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C13	C8	N15	115.6°	122.9°
C13	C8	C7	127.9°	122.9°
C8	C13	H4	109.5°	109.5°
C8	C13	H5	109.5°	109.5°
C8	C13	H6	109.5°	109.5°
C8	N15	C9	111.0°	117.2°
N15	C8	C7	116.5°	114.3°
N15	C9	N18	120.4°	124.8°
N15	C9	S23	113.8°	110.3°
C9	N18	C11	125.5°	120.0°
N18	C9	S23	125.9°	124.8°
C9	N18	H10	117.2°	120.0°
N18	C11	C14	113.8°	120.0°
N18	C11	O20	125.2°	120.0°
C11	N18	H10	117.3°	120.0°
C14	C11	O20	121.0°	120.0°
C11	C14	H7	109.5°	109.5°
C11	C14	H8	109.5°	109.5°
C11	C14	H9	109.5°	109.5°
C8	C7	S23	108.1°	107.9°
C8	C7	C3	130.5°	126.1°
C9	S23	C7	90.6°	90.4°
S23	C7	C3	121.3°	126.1°
C7	C3	C1	119.9°	120.0°
C7	C3	C2	120.2°	119.9°
C5	C1	C3	119.9°	119.5°
C1	C5	C12	128.4°	134.5°
C1	C5	C4	120.1°	119.9°
C5	C1	H1	120.1°	120.2°
C1	C3	C2	119.9°	120.1°
C3	C1	H1	120.1°	120.3°
C5	C12	N16	100.7°	109.3°
C12	C5	C4	111.5°	105.6°
C5	C12	H3	129.7°	125.4°
C12	N16	C10	113.8°	111.9°
N16	C12	H3	129.6°	125.3°
C5	C4	C10	107.9°	105.0°
C5	C4	C6	120.6°	120.3°
C3	C2	C6	119.6°	120.3°
C3	C2	H2	120.2°	119.8°
N16	C10	C4	105.6°	108.1°
N16	C10	O19	128.3°	125.9°
C10	C4	C6	131.4°	134.7°
C4	C10	O19	126.1°	125.9°
C4	C6	C2	119.9°	119.9°
C4	C6	S24	122.7°	120.0°
C2	C6	S24	117.3°	120.0°
C6	C2	H2	120.2°	119.9°
C6	S24	O21	104.7°	106.4°
C6	S24	N17	95.4°	107.2°
C6	S24	O22	107.0°	106.4°
O21	S24	N17	112.5°	106.4°
O21	S24	O22	122.8°	123.1°
N17	S24	O22	110.5°	106.4°
S24	N17	H11	109.5°	120.0°
S24	N17	H12	109.5°	120.0°
H4	C13	H5	109.4°	109.4°
H4	C13	H6	109.5°	109.4°
H5	C13	H6	109.5°	109.5°
H7	C14	H8	109.5°	109.5°
H7	C14	H9	109.5°	109.5°
H8	C14	H9	109.4°	109.4°
H11	N17	H12	109.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C13	C8	N15	C7	179.6°	180.0°
C13	C8	N15	C9	179.3°	179.9°
C13	C8	C7	S23	179.4°	180.0°
C13	C8	C7	C3	1.6°	0.3°
C8	C13	H4	H5	120.0°	120.0°
C8	C13	H4	H6	120.0°	120.0°
C8	C13	H5	H6	120.0°	120.0°
C8	N15	C9	N18	179.8°	180.0°
C8	N15	C9	S23	0.3°	0.0°
N15	C8	C7	S23	0.2°	0.1°
N15	C8	C7	C3	177.9°	179.7°
N15	C8	C13	H4	0.0°	95.3°
N15	C8	C13	H5	120.0°	24.7°
N15	C8	C13	H6	120.0°	144.8°
N15	C9	N18	S23	179.9°	180.0°
N15	C9	N18	C11	165.3°	0.0°
C9	N15	C8	C7	0.3°	0.1°
N15	C9	S23	C7	0.2°	0.0°
N15	C9	N18	H10	14.8°	179.9°
C9	N18	C11	H10	180.0°	180.0°
C9	N18	C11	C14	175.6°	180.0°
C9	N18	C11	O20	4.7°	0.0°
N18	C9	S23	C7	179.9°	180.0°
N18	C11	C14	O20	179.8°	180.0°
C11	N18	C9	S23	14.6°	180.0°
N18	C11	C14	H7	179.8°	90.0°
N18	C11	C14	H8	60.2°	30.0°
N18	C11	C14	H9	59.7°	150.0°
C11	C14	H7	H8	120.0°	120.0°
C11	C14	H7	H9	120.0°	120.0°
C11	C14	H8	H9	120.0°	120.0°
C14	C11	N18	H10	4.4°	0.0°
C8	C7	S23	C9	0.0°	0.0°
C8	C7	S23	C3	178.0°	179.7°
C8	C7	C3	C1	22.8°	47.5°
C8	C7	C3	C2	158.5°	132.4°
C7	C8	C13	H4	179.5°	84.8°
C7	C8	C13	H5	60.5°	155.2°
C7	C8	C13	H6	59.5°	35.2°
C9	S23	C7	C3	178.0°	179.7°
S23	C9	N18	H10	165.3°	0.0°
O20	C11	C14	H7	0.0°	90.0°
O20	C11	C14	H8	120.0°	150.0°
O20	C11	C14	H9	120.0°	30.0°
O20	C11	N18	H10	175.3°	180.0°
S23	C7	C3	C1	154.7°	132.1°
S23	C7	C3	C2	24.0°	47.9°
C7	C3	C1	C5	178.2°	180.0°
C7	C3	C1	C2	178.6°	180.0°
C7	C3	C2	C6	178.7°	180.0°
C7	C3	C1	H1	1.8°	0.3°
C7	C3	C2	H2	1.3°	0.0°
C5	C1	C3	H1	180.0°	179.7°
C1	C5	C12	C4	180.0°	180.0°
C1	C5	C12	N16	176.2°	179.9°
C5	C1	C3	C2	0.4°	0.0°
C1	C5	C4	C10	179.8°	179.9°
C1	C5	C4	C6	0.5°	0.0°
C1	C5	C12	H3	3.8°	0.0°
C3	C1	C5	C12	179.8°	180.0°
C3	C1	C5	C4	0.2°	0.1°
C1	C3	C2	C6	0.0°	0.0°
C1	C3	C2	H2	179.9°	180.0°
C5	C12	N16	H3	180.0°	180.0°
C5	C12	N16	C10	7.0°	0.0°
C12	C5	C4	C10	0.2°	0.0°
C12	C5	C4	C6	179.5°	180.0°
C12	C5	C1	H1	0.2°	0.3°
N16	C12	C5	C4	3.8°	0.0°
C12	N16	C10	C4	7.4°	0.0°
C12	N16	C10	O19	170.2°	180.0°
C5	C4	C10	N16	4.5°	0.0°
C5	C4	C10	C6	179.1°	180.0°
C5	C4	C6	C2	1.0°	0.0°
C5	C4	C10	O19	173.2°	180.0°
C5	C4	C6	S24	179.9°	180.0°
C4	C5	C1	H1	179.8°	179.7°
C4	C5	C12	H3	176.2°	180.0°
C3	C2	C6	C4	0.7°	0.0°
C3	C2	C6	H2	180.0°	180.0°
C3	C2	C6	S24	179.9°	180.0°
C2	C3	C1	H1	179.6°	179.7°
N16	C10	C4	O19	177.7°	179.9°
N16	C10	C4	C6	176.4°	180.0°
C10	N16	C12	H3	173.0°	180.0°
C10	C4	C6	C2	180.0°	179.9°
C10	C4	C6	S24	0.8°	0.1°
C4	C6	C2	S24	179.2°	180.0°
C6	C4	C10	O19	5.9°	0.0°
C4	C6	S24	O21	71.7°	48.6°
C4	C6	S24	N17	173.4°	65.0°
C4	C6	S24	O22	60.0°	178.6°
C4	C6	C2	H2	179.2°	180.0°
C2	C6	S24	O21	107.5°	131.4°
C2	C6	S24	N17	7.4°	115.0°
C2	C6	S24	O22	120.8°	1.4°
C6	S24	O21	N17	102.3°	114.1°
C6	S24	O21	O22	121.8°	122.9°
C6	S24	N17	O22	110.4°	113.6°
S24	C6	C2	H2	0.0°	0.0°
C6	S24	N17	H11	180.0°	0.0°
C6	S24	N17	H12	60.0°	180.0°
O21	S24	N17	O22	141.3°	132.9°
O21	S24	N17	H11	71.7°	113.5°
O21	S24	N17	H12	168.4°	66.4°
S24	N17	H11	H12	120.0°	180.0°
O22	S24	N17	H11	69.6°	113.5°
O22	S24	N17	H12	50.4°	66.5°
H4	C13	H5	H6	120.0°	119.9°
H7	C14	H8	H9	120.0°	120.0°

Release date:	2019-02-06
Definition date:	2018-06-28
Last modified:	2019-02-01
Release status:	REL
Processing site:	EBI
Derived from:	6GY0