8SR

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C14	C6	sing	1.51Å	1.47Å
C15	C9	sing	1.51Å	1.50Å
C15	N18	sing	1.47Å	1.44Å
O21	C8	doub	1.22Å	1.22Å
N19	C8	sing	1.35Å	1.36Å
C8	C2	sing	1.47Å	1.43Å
N20	C9	sing	1.35Å	1.36Å
N20	C7	sing	1.39Å	1.39Å
C9	O22	doub	1.21Å	1.22Å
C6	N18	sing	1.35Å	1.36Å	Aromatic
C6	C1	doub	1.35Å	1.37Å	Aromatic
N18	N17	sing	1.40Å	1.35Å	Aromatic
C7	C2	doub	1.37Å	1.38Å	Aromatic
C7	S26	sing	1.70Å	1.73Å	Aromatic
C2	C3	sing	1.45Å	1.42Å	Aromatic
C1	C5	sing	1.40Å	1.42Å	Aromatic
N17	C5	doub	1.31Å	1.34Å	Aromatic
C3	C10	sing	1.52Å	1.46Å
C3	C4	doub	1.34Å	1.37Å	Aromatic
S26	C4	sing	1.76Å	1.71Å	Aromatic
C10	C12	sing	1.53Å	1.51Å
C5	C16	sing	1.51Å	1.48Å
C4	C11	sing	1.52Å	1.47Å
F24	C16	sing	1.40Å	1.36Å
C13	C12	sing	1.53Å	1.51Å
C13	C11	sing	1.53Å	1.51Å
C16	F23	sing	1.40Å	1.35Å
C16	F25	sing	1.40Å	1.35Å
C10	H1	sing	1.09Å	1.10Å
C10	H2	sing	1.09Å	1.10Å
C13	H3	sing	1.09Å	1.10Å
C13	H4	sing	1.09Å	1.10Å
C15	H5	sing	1.09Å	1.10Å
C15	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.08Å	1.08Å
C11	H8	sing	1.09Å	1.10Å
C11	H9	sing	1.09Å	1.10Å
C12	H10	sing	1.09Å	1.10Å
C12	H11	sing	1.09Å	1.10Å
C14	H12	sing	1.09Å	1.10Å
C14	H13	sing	1.09Å	1.10Å
C14	H14	sing	1.09Å	1.10Å
N19	H15	sing	0.97Å	1.00Å
N19	H16	sing	0.97Å	1.00Å
N20	H17	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C14	C6	N18	122.8°	126.1°
C14	C6	C1	132.2°	126.1°
C6	C14	H12	109.5°	109.5°
C6	C14	H13	109.5°	109.5°
C6	C14	H14	109.5°	109.5°
C9	C15	N18	108.5°	109.4°
C15	C9	N20	112.1°	120.0°
C15	C9	O22	121.6°	120.0°
C9	C15	H5	109.7°	109.5°
C9	C15	H6	109.7°	109.5°
C15	N18	C6	126.0°	126.1°
C15	N18	N17	119.7°	126.0°
N18	C15	H5	109.7°	109.4°
N18	C15	H6	109.7°	109.5°
O21	C8	N19	124.4°	120.0°
O21	C8	C2	122.6°	120.0°
N19	C8	C2	112.9°	119.9°
C8	N19	H15	120.0°	120.1°
C8	N19	H16	120.0°	120.0°
C8	C2	C7	121.3°	123.3°
C8	C2	C3	127.7°	123.3°
C9	N20	C7	122.3°	120.0°
N20	C9	O22	126.3°	120.0°
C9	N20	H17	118.8°	120.0°
N20	C7	C2	125.6°	124.7°
N20	C7	S26	121.7°	124.6°
C7	N20	H17	118.9°	120.0°
N18	C6	C1	105.1°	107.8°
C6	N18	N17	114.3°	107.9°
C6	C1	C5	105.5°	107.9°
C6	C1	H7	127.2°	126.1°
N18	N17	C5	103.7°	108.2°
C2	C7	S26	112.7°	110.7°
C7	C2	C3	111.1°	113.4°
C7	S26	C4	90.7°	92.7°
C2	C3	C10	126.8°	124.1°
C2	C3	C4	112.7°	112.4°
C1	C5	N17	111.5°	108.2°
C1	C5	C16	127.6°	125.9°
C5	C1	H7	127.2°	126.1°
N17	C5	C16	120.9°	125.9°
C10	C3	C4	120.5°	123.5°
C3	C10	C12	111.0°	108.8°
C3	C10	H1	109.1°	109.6°
C3	C10	H2	109.1°	109.7°
C3	C4	S26	112.8°	110.8°
C3	C4	C11	126.2°	124.3°
S26	C4	C11	121.0°	124.9°
C10	C12	C13	109.2°	109.2°
C12	C10	H1	109.1°	109.6°
C12	C10	H2	109.1°	109.6°
C10	C12	H10	109.6°	109.5°
C10	C12	H11	109.5°	109.5°
C5	C16	F24	112.5°	109.5°
C5	C16	F23	112.2°	109.4°
C5	C16	F25	113.5°	109.5°
C4	C11	C13	108.1°	108.8°
C4	C11	H8	109.8°	109.6°
C4	C11	H9	109.8°	109.6°
F24	C16	F23	106.9°	109.5°
F24	C16	F25	106.2°	109.5°
C12	C13	C11	108.8°	109.0°
C12	C13	H3	109.6°	109.6°
C12	C13	H4	109.6°	109.5°
C13	C12	H10	109.6°	109.5°
C13	C12	H11	109.5°	109.5°
C11	C13	H3	109.6°	109.5°
C11	C13	H4	109.6°	109.6°
C13	C11	H8	109.8°	109.6°
C13	C11	H9	109.8°	109.6°
F23	C16	F25	104.9°	109.4°
H1	C10	H2	109.5°	109.5°
H3	C13	H4	109.5°	109.7°
H5	C15	H6	109.5°	109.5°
H8	C11	H9	109.4°	109.7°
H10	C12	H11	109.5°	109.6°
H12	C14	H13	109.4°	109.5°
H12	C14	H14	109.5°	109.4°
H13	C14	H14	109.5°	109.5°
H15	N19	H16	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C14	C6	N18	C15	0.5°	0.1°
C14	C6	N18	C1	179.9°	179.9°
C14	C6	N18	N17	179.8°	180.0°
C14	C6	C1	C5	179.8°	179.8°
C14	C6	C1	H7	0.2°	0.3°
C6	C14	H12	H13	120.0°	120.0°
C6	C14	H12	H14	120.0°	120.0°
C6	C14	H13	H14	120.0°	120.0°
C9	C15	N18	H5	119.8°	120.0°
C9	C15	N18	H6	119.9°	120.0°
C15	C9	N20	O22	178.4°	180.0°
C15	C9	N20	C7	162.1°	180.0°
C9	C15	N18	C6	97.9°	90.0°
C9	C15	N18	N17	81.8°	90.0°
C9	C15	H5	H6	120.4°	120.0°
C15	C9	N20	H17	17.9°	0.0°
N18	C15	C9	N20	132.3°	180.0°
N18	C15	C9	O22	49.2°	0.0°
C15	N18	C6	N17	179.7°	180.0°
C15	N18	C6	C1	179.6°	180.0°
C15	N18	N17	C5	179.7°	179.9°
N18	C15	H5	H6	120.5°	120.0°
O21	C8	N19	C2	177.5°	180.0°
O21	C8	C2	C7	26.0°	89.9°
O21	C8	C2	C3	153.5°	89.9°
O21	C8	N19	H15	0.0°	179.9°
O21	C8	N19	H16	180.0°	0.0°
N19	C8	C2	C7	151.5°	90.0°
N19	C8	C2	C3	29.0°	90.1°
C8	N19	H15	H16	180.0°	179.9°
C8	C2	C7	N20	0.4°	0.2°
C8	C2	C7	C3	179.6°	179.9°
C8	C2	C7	S26	179.9°	179.9°
C8	C2	C3	C10	0.1°	0.2°
C8	C2	C3	C4	179.8°	179.7°
C2	C8	N19	H15	177.5°	0.1°
C2	C8	N19	H16	2.6°	180.0°
C9	N20	C7	H17	180.0°	179.9°
C9	N20	C7	C2	178.7°	180.0°
C9	N20	C7	S26	1.9°	0.1°
N20	C9	C15	H5	107.9°	60.1°
N20	C9	C15	H6	12.4°	60.0°
C7	N20	C9	O22	19.5°	0.0°
N20	C7	C2	S26	179.5°	179.9°
N20	C7	C2	C3	179.2°	179.9°
N20	C7	S26	C4	179.4°	179.9°
O22	C9	C15	H5	70.6°	120.0°
O22	C9	C15	H6	169.1°	120.0°
O22	C9	N20	H17	160.5°	180.0°
N18	C6	C1	C5	0.1°	0.1°
C6	N18	N17	C5	0.0°	0.2°
C6	N18	C15	H5	22.0°	29.9°
C6	N18	C15	H6	142.3°	150.0°
N18	C6	C1	H7	179.9°	179.8°
N18	C6	C14	H12	90.0°	90.0°
N18	C6	C14	H13	150.1°	150.0°
N18	C6	C14	H14	30.1°	29.9°
C1	C6	N18	N17	0.1°	0.0°
C6	C1	C5	H7	180.0°	179.9°
C6	C1	C5	N17	0.1°	0.2°
C6	C1	C5	C16	179.5°	180.0°
C1	C6	C14	H12	89.9°	90.1°
C1	C6	C14	H13	30.1°	29.9°
C1	C6	C14	H14	150.1°	150.0°
N18	N17	C5	C1	0.0°	0.2°
N18	N17	C5	C16	179.6°	180.0°
N17	N18	C15	H5	158.4°	150.0°
N17	N18	C15	H6	38.1°	30.0°
C7	C2	C3	C10	179.5°	179.9°
C7	C2	C3	C4	0.3°	0.1°
C2	C7	S26	C4	0.1°	0.2°
C2	C7	N20	H17	1.3°	0.1°
S26	C7	C2	C3	0.3°	0.1°
C7	S26	C4	C3	0.0°	0.3°
C7	S26	C4	C11	179.9°	180.0°
S26	C7	N20	H17	178.1°	179.9°
C2	C3	C10	C4	179.7°	180.0°
C2	C3	C4	S26	0.2°	0.3°
C2	C3	C10	C12	163.8°	162.9°
C2	C3	C4	C11	179.9°	180.0°
C2	C3	C10	H1	43.6°	77.3°
C2	C3	C10	H2	75.9°	43.0°
C1	C5	N17	C16	179.6°	179.8°
C1	C5	C16	F24	122.8°	150.0°
C1	C5	C16	F23	2.2°	90.0°
C1	C5	C16	F25	116.6°	29.9°
N17	C5	C16	F24	56.8°	30.3°
N17	C5	C16	F23	177.3°	89.7°
N17	C5	C16	F25	63.9°	150.3°
N17	C5	C1	H7	179.9°	179.7°
C10	C3	C4	S26	179.6°	179.7°
C3	C10	C12	H1	120.2°	119.8°
C3	C10	C12	H2	120.2°	120.0°
C10	C3	C4	C11	0.3°	0.0°
C3	C10	C12	C13	49.7°	50.6°
C3	C10	H1	H2	119.3°	120.4°
C3	C10	C12	H10	70.3°	170.6°
C3	C10	C12	H11	169.7°	69.3°
C3	C4	S26	C11	179.9°	179.7°
C4	C3	C10	C12	15.9°	17.1°
C3	C4	C11	C13	17.6°	16.7°
C4	C3	C10	H1	136.1°	102.7°
C4	C3	C10	H2	104.4°	137.0°
C3	C4	C11	H8	137.4°	103.1°
C3	C4	C11	H9	102.2°	136.4°
S26	C4	C11	C13	162.5°	163.0°
S26	C4	C11	H8	42.7°	77.2°
S26	C4	C11	H9	77.7°	43.2°
C10	C12	C13	H10	120.0°	119.9°
C10	C12	C13	H11	119.9°	119.9°
C10	C12	C13	C11	69.9°	70.3°
C12	C10	H1	H2	119.3°	120.3°
C10	C12	C13	H3	170.2°	169.9°
C10	C12	C13	H4	50.0°	49.5°
C10	C12	H10	H11	120.1°	120.1°
C5	C16	F24	F23	123.6°	120.0°
C5	C16	F24	F25	124.8°	120.1°
C5	C16	F23	F25	123.7°	120.0°
C16	C5	C1	H7	0.5°	0.1°
C4	C11	C13	C12	50.7°	50.0°
C4	C11	C13	H8	119.8°	119.8°
C4	C11	C13	H9	119.8°	119.7°
C4	C11	C13	H3	170.6°	169.9°
C4	C11	C13	H4	69.2°	69.8°
C4	C11	H8	H9	120.7°	120.3°
F24	C16	F23	F25	112.5°	120.0°
C12	C13	C11	H3	119.9°	119.8°
C12	C13	C11	H4	119.9°	119.8°
C13	C12	C10	H1	170.0°	69.2°
C13	C12	C10	H2	70.5°	170.6°
C12	C13	H3	H4	120.3°	120.3°
C12	C13	C11	H8	170.5°	69.7°
C12	C13	C11	H9	69.1°	169.8°
C13	C12	H10	H11	120.1°	120.2°
C11	C13	H3	H4	120.3°	120.3°
C13	C11	H8	H9	120.6°	120.4°
C11	C13	C12	H10	50.1°	169.7°
C11	C13	C12	H11	170.2°	49.5°
H1	C10	C12	H10	50.0°	50.8°
H1	C10	C12	H11	70.1°	170.9°
H2	C10	C12	H10	169.5°	69.5°
H2	C10	C12	H11	49.4°	50.7°
H3	C13	C11	H8	69.6°	50.1°
H3	C13	C11	H9	50.8°	70.4°
H3	C13	C12	H10	69.8°	49.9°
H3	C13	C12	H11	50.3°	70.3°
H4	C13	C11	H8	50.7°	170.5°
H4	C13	C11	H9	171.0°	50.0°
H4	C13	C12	H10	170.0°	70.4°
H4	C13	C12	H11	69.9°	169.3°
H12	C14	H13	H14	120.0°	119.9°

Release date:	2018-01-17
Definition date:	2017-09-11
Last modified:	2018-01-12
Release status:	REL
Processing site:	PDBJ
Derived from:	5YBF