EF6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL	C3	sing	1.74Å	1.74Å
C3	C4	doub	1.34Å	1.39Å	Aromatic
C3	C2	sing	1.46Å	1.44Å	Aromatic
C4	N1	sing	1.37Å	1.37Å	Aromatic
C2	C5	doub	1.40Å	1.39Å	Aromatic
C2	C1	sing	1.40Å	1.41Å	Aromatic
N1	C1	sing	1.38Å	1.37Å	Aromatic
C5	C6	sing	1.37Å	1.39Å	Aromatic
C1	C	doub	1.40Å	1.40Å	Aromatic
C6	C7	doub	1.39Å	1.39Å	Aromatic
C	C7	sing	1.38Å	1.40Å	Aromatic
C	N	sing	1.40Å	1.43Å
N	S	sing	1.66Å	1.63Å
S	O3	doub	1.42Å	1.43Å
S	C8	sing	1.76Å	1.76Å
S	O	doub	1.42Å	1.43Å
C13	C12	doub	1.38Å	1.38Å	Aromatic
C13	C8	sing	1.38Å	1.39Å	Aromatic
C12	C11	sing	1.38Å	1.39Å	Aromatic
C8	C9	doub	1.38Å	1.39Å	Aromatic
O2	S1	doub	1.42Å	1.44Å
C11	C10	doub	1.38Å	1.39Å	Aromatic
C11	S1	sing	1.76Å	1.77Å
C9	C10	sing	1.38Å	1.38Å	Aromatic
O1	S1	doub	1.42Å	1.43Å
S1	N2	sing	1.66Å	1.60Å
N	H1	sing	0.97Å	1.00Å
C10	H2	sing	1.08Å	1.08Å
C12	H3	sing	1.08Å	1.08Å
C13	H4	sing	1.08Å	1.08Å
C4	H5	sing	1.08Å	1.08Å
C5	H6	sing	1.08Å	1.08Å
C6	H7	sing	1.08Å	1.08Å
C7	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
N1	H10	sing	0.97Å	1.00Å
N2	H11	sing	0.97Å	1.00Å
N2	H12	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL	C3	C4	132.3°	126.5°
CL	C3	C2	122.8°	126.5°
C4	C3	C2	104.9°	107.0°
C3	C4	N1	110.7°	109.9°
C3	C4	H5	124.6°	125.0°
C3	C2	C5	132.9°	133.9°
C3	C2	C1	107.8°	106.1°
C4	N1	C1	108.8°	109.8°
N1	C4	H5	124.6°	125.1°
C4	N1	H10	125.6°	125.1°
C5	C2	C1	119.2°	119.9°
C2	C5	C6	119.3°	119.9°
C2	C5	H6	120.3°	120.1°
C2	C1	N1	107.8°	107.1°
C2	C1	C	121.9°	119.3°
N1	C1	C	130.3°	133.5°
C1	N1	H10	125.6°	125.0°
C5	C6	C7	121.1°	120.6°
C6	C5	H6	120.4°	120.0°
C5	C6	H7	119.4°	119.8°
C1	C	C7	117.5°	119.7°
C1	C	N	119.3°	120.2°
C6	C7	C	121.0°	120.6°
C7	C6	H7	119.4°	119.7°
C6	C7	H8	119.5°	119.7°
C7	C	N	123.2°	120.2°
C	C7	H8	119.5°	119.7°
C	N	S	129.2°	120.0°
C	N	H1	104.3°	120.0°
N	S	O3	106.2°	106.4°
N	S	C8	106.6°	107.2°
N	S	O	107.4°	106.4°
S	N	H1	104.3°	120.0°
O3	S	C8	108.1°	106.4°
O3	S	O	119.5°	123.1°
C8	S	O	108.4°	106.4°
S	C8	C13	119.4°	120.0°
S	C8	C9	119.7°	120.0°
C12	C13	C8	119.6°	120.0°
C13	C12	C11	119.5°	120.0°
C13	C12	H3	120.2°	120.0°
C12	C13	H4	120.2°	120.0°
C13	C8	C9	120.9°	120.0°
C8	C13	H4	120.2°	120.0°
C12	C11	C10	120.9°	120.0°
C12	C11	S1	119.6°	120.0°
C11	C12	H3	120.2°	120.0°
C8	C9	C10	119.5°	120.0°
C8	C9	H9	120.3°	120.0°
O2	S1	C11	107.5°	106.4°
O2	S1	O1	118.7°	123.1°
O2	S1	N2	107.3°	106.4°
C10	C11	S1	119.5°	120.0°
C11	C10	C9	119.5°	120.0°
C11	C10	H2	120.2°	120.0°
C11	S1	O1	107.4°	106.4°
C11	S1	N2	108.5°	107.2°
C9	C10	H2	120.2°	120.0°
C10	C9	H9	120.2°	120.0°
O1	S1	N2	107.3°	106.4°
S1	N2	H11	109.5°	120.0°
S1	N2	H12	109.5°	120.0°
H11	N2	H12	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL	C3	C4	C2	178.4°	180.0°
CL	C3	C4	N1	177.8°	180.0°
CL	C3	C2	C5	2.2°	0.0°
CL	C3	C2	C1	177.8°	180.0°
CL	C3	C4	H5	2.2°	0.0°
C3	C4	N1	H5	180.0°	180.0°
C4	C3	C2	C5	179.2°	180.0°
C4	C3	C2	C1	0.8°	0.0°
C3	C4	N1	C1	0.2°	0.0°
C3	C4	N1	H10	179.8°	180.0°
C2	C3	C4	N1	0.6°	0.0°
C3	C2	C5	C1	179.9°	180.0°
C3	C2	C1	N1	0.7°	0.0°
C3	C2	C5	C6	179.8°	180.0°
C3	C2	C1	C	179.5°	180.0°
C2	C3	C4	H5	179.4°	180.0°
C3	C2	C5	H6	0.3°	0.0°
C4	N1	C1	C2	0.3°	0.0°
C4	N1	C1	H10	180.0°	180.0°
C4	N1	C1	C	179.9°	180.0°
C5	C2	C1	N1	179.3°	180.0°
C2	C5	C6	H6	180.0°	179.9°
C5	C2	C1	C	0.6°	0.0°
C2	C5	C6	C7	0.1°	0.1°
C2	C5	C6	H7	179.9°	180.0°
C2	C1	N1	C	179.8°	179.9°
C1	C2	C5	C6	0.3°	0.0°
C2	C1	C	C7	0.4°	0.0°
C2	C1	C	N	179.1°	179.7°
C1	C2	C5	H6	179.7°	180.0°
C2	C1	N1	H10	179.7°	180.0°
N1	C1	C	C7	179.4°	180.0°
N1	C1	C	N	1.1°	0.3°
C1	N1	C4	H5	179.8°	180.0°
C5	C6	C7	H7	180.0°	179.9°
C5	C6	C7	C	0.2°	0.1°
C5	C6	C7	H8	179.8°	179.8°
C1	C	C7	C6	0.1°	0.0°
C1	C	C7	N	179.5°	179.7°
C1	C	N	S	173.4°	144.1°
C1	C	N	H1	50.8°	35.5°
C1	C	C7	H8	179.9°	179.7°
C	C1	N1	H10	0.1°	0.1°
C6	C7	C	H8	180.0°	179.7°
C6	C7	C	N	179.4°	179.7°
C7	C6	C5	H6	180.0°	180.0°
C7	C	N	S	7.1°	35.6°
C7	C	N	H1	129.7°	144.8°
C	C7	C6	H7	179.8°	180.0°
C	N	S	H1	122.6°	179.6°
C	N	S	O3	178.6°	173.9°
C	N	S	C8	66.3°	60.4°
C	N	S	O	49.7°	53.1°
N	C	C7	H8	0.6°	0.0°
N	S	O3	C8	114.1°	114.1°
N	S	O3	O	121.5°	123.0°
N	S	C8	O	115.3°	113.5°
N	S	C8	C13	66.1°	90.0°
N	S	C8	C9	112.0°	89.7°
O3	S	C8	O	130.8°	132.9°
O3	S	C8	C13	47.7°	23.5°
O3	S	C8	C9	134.2°	156.8°
O3	S	N	H1	56.0°	5.7°
S	C8	C13	C12	177.1°	180.0°
S	C8	C13	C9	178.1°	179.7°
S	C8	C9	C10	177.1°	179.7°
C8	S	N	H1	171.1°	119.2°
S	C8	C13	H4	2.9°	0.0°
S	C8	C9	H9	2.9°	0.3°
O	S	C8	C13	178.5°	156.4°
O	S	C8	C9	3.4°	23.9°
O	S	N	H1	72.9°	127.2°
C12	C13	C8	H4	180.0°	180.0°
C13	C12	C11	H3	180.0°	180.0°
C12	C13	C8	C9	0.9°	0.3°
C13	C12	C11	C10	0.9°	0.0°
C13	C12	C11	S1	178.3°	180.0°
C8	C13	C12	C11	0.0°	0.0°
C13	C8	C9	C10	1.0°	0.6°
C8	C13	C12	H3	180.0°	180.0°
C13	C8	C9	H9	179.0°	180.0°
C12	C11	S1	O2	14.5°	156.4°
C12	C11	C10	S1	179.2°	180.0°
C12	C11	C10	C9	0.9°	0.3°
C12	C11	S1	O1	143.3°	23.6°
C12	C11	S1	N2	101.1°	90.0°
C12	C11	C10	H2	179.1°	180.0°
C11	C12	C13	H4	180.0°	180.0°
C8	C9	C10	C11	0.1°	0.6°
C8	C9	C10	H9	180.0°	179.4°
C8	C9	C10	H2	180.0°	179.7°
C9	C8	C13	H4	179.1°	179.8°
O2	S1	C11	C10	164.6°	23.6°
O2	S1	C11	O1	128.7°	132.9°
O2	S1	C11	N2	115.7°	113.5°
O2	S1	O1	N2	121.6°	122.9°
O2	S1	N2	H11	180.0°	113.6°
O2	S1	N2	H12	60.0°	66.4°
C11	C10	C9	H2	180.0°	179.7°
C10	C11	S1	O1	35.9°	156.4°
C10	C11	S1	N2	79.7°	90.0°
C10	C11	C12	H3	179.1°	180.0°
C11	C10	C9	H9	179.9°	180.0°
S1	C11	C10	C9	178.3°	179.7°
C11	S1	O1	N2	116.4°	114.1°
S1	C11	C10	H2	1.7°	0.0°
S1	C11	C12	H3	1.7°	0.0°
C11	S1	N2	H11	64.2°	0.0°
C11	S1	N2	H12	55.8°	180.0°
O1	S1	N2	H11	51.5°	113.6°
O1	S1	N2	H12	171.5°	66.5°
S1	N2	H11	H12	120.1°	180.0°
H2	C10	C9	H9	0.0°	0.3°
H3	C12	C13	H4	0.0°	0.1°
H5	C4	N1	H10	0.2°	0.0°
H6	C5	C6	H7	0.1°	0.0°
H7	C6	C7	H8	0.2°	0.3°

Release date:	2019-11-13
Definition date:	2019-08-05
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	6Q0W