2EU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	S1	doub	1.42Å	1.50Å
S1	O2	doub	1.42Å	1.50Å
S1	N1	sing	1.66Å	1.68Å
S1	C2	sing	1.76Å	1.74Å
S2	C2	sing	1.76Å	1.68Å	Aromatic
S2	C12	sing	1.76Å	1.69Å	Aromatic
C5	N1	sing	1.47Å	1.47Å
C5	C10	sing	1.53Å	1.55Å
N1	C6	sing	1.47Å	1.47Å
C2	C9	doub	1.33Å	1.33Å	Aromatic
C10	N2	sing	1.47Å	1.45Å
C12	C13	doub	1.33Å	1.36Å	Aromatic
C9	C13	sing	1.39Å	1.33Å	Aromatic
C6	C11	sing	1.53Å	1.51Å
N2	C11	sing	1.47Å	1.49Å
N2	C8	sing	1.40Å	1.40Å
C16	C8	doub	1.39Å	1.37Å	Aromatic
C16	C14	sing	1.38Å	1.40Å	Aromatic
C8	C17	sing	1.39Å	1.40Å	Aromatic
C14	C7	doub	1.38Å	1.37Å	Aromatic
C17	C15	doub	1.38Å	1.39Å	Aromatic
C7	C15	sing	1.38Å	1.37Å	Aromatic
C7	C1	sing	1.51Å	1.51Å
O3	C1	sing	1.43Å	1.41Å
F1	C3	sing	1.40Å	1.34Å
C1	C3	sing	1.53Å	1.50Å
C1	C4	sing	1.53Å	1.54Å
F6	C4	sing	1.40Å	1.31Å
C3	F2	sing	1.40Å	1.32Å
C3	F3	sing	1.40Å	1.29Å
C4	F5	sing	1.40Å	1.35Å
C4	F4	sing	1.40Å	1.30Å
C5	H1	sing	1.09Å	1.10Å
C5	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C10	H5	sing	1.09Å	1.10Å
C10	H6	sing	1.09Å	1.10Å
C13	H7	sing	1.08Å	1.08Å
C15	H8	sing	1.08Å	1.08Å
C17	H9	sing	1.08Å	1.08Å
C9	H10	sing	1.08Å	1.08Å
C12	H11	sing	1.08Å	1.08Å
C11	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C16	H14	sing	1.08Å	1.08Å
C14	H15	sing	1.08Å	1.08Å
O3	H16	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	S1	O2	114.1°	123.2°
O1	S1	N1	111.7°	106.4°
O1	S1	C2	106.1°	106.4°
O2	S1	N1	110.3°	106.4°
O2	S1	C2	103.6°	106.4°
N1	S1	C2	110.6°	107.2°
S1	N1	C5	111.7°	120.9°
S1	N1	C6	106.6°	120.9°
S1	C2	S2	123.2°	125.2°
S1	C2	C9	126.3°	125.2°
C2	S2	C12	94.6°	91.0°
S2	C2	C9	110.5°	109.6°
S2	C12	C13	104.3°	109.6°
S2	C12	H11	127.8°	125.2°
N1	C5	C10	113.8°	108.5°
C5	N1	C6	107.5°	118.3°
N1	C5	H1	108.4°	109.6°
N1	C5	H2	108.4°	109.6°
C5	C10	N2	110.0°	109.3°
C10	C5	H1	108.4°	109.6°
C10	C5	H2	108.4°	109.6°
C5	C10	H5	109.4°	109.5°
C5	C10	H6	109.4°	109.5°
N1	C6	C11	113.8°	108.5°
N1	C6	H3	108.4°	109.6°
N1	C6	H4	108.4°	109.6°
C2	C9	C13	110.8°	114.9°
C2	C9	H10	124.6°	122.5°
C10	N2	C11	122.6°	111.2°
C10	N2	C8	121.8°	111.0°
N2	C10	H5	109.3°	109.5°
N2	C10	H6	109.3°	109.4°
C12	C13	C9	119.7°	114.9°
C12	C13	H7	120.1°	122.6°
C13	C12	H11	127.8°	125.2°
C9	C13	H7	120.1°	122.6°
C13	C9	H10	124.6°	122.5°
C6	C11	N2	116.3°	109.4°
C11	C6	H3	108.4°	109.7°
C11	C6	H4	108.4°	109.7°
C6	C11	H12	107.7°	109.5°
C6	C11	H13	107.7°	109.5°
C11	N2	C8	115.0°	111.0°
N2	C11	H12	107.7°	109.5°
N2	C11	H13	107.7°	109.5°
N2	C8	C16	122.4°	120.1°
N2	C8	C17	120.6°	120.1°
C8	C16	C14	121.1°	120.0°
C16	C8	C17	117.0°	119.8°
C8	C16	H14	119.5°	120.0°
C16	C14	C7	121.5°	120.1°
C14	C16	H14	119.5°	120.0°
C16	C14	H15	119.2°	120.0°
C8	C17	C15	122.1°	119.9°
C8	C17	H9	118.9°	120.0°
C14	C7	C15	118.3°	120.1°
C14	C7	C1	119.5°	119.9°
C7	C14	H15	119.2°	120.0°
C17	C15	C7	119.9°	120.1°
C17	C15	H8	120.0°	120.0°
C15	C17	H9	118.9°	120.1°
C15	C7	C1	122.2°	119.9°
C7	C15	H8	120.1°	120.0°
C7	C1	O3	109.7°	109.5°
C7	C1	C3	110.9°	109.5°
C7	C1	C4	112.4°	109.5°
O3	C1	C3	102.9°	109.5°
O3	C1	C4	110.1°	109.5°
C1	O3	H16	109.5°	114.0°
F1	C3	C1	112.7°	109.5°
F1	C3	F2	110.0°	109.5°
F1	C3	F3	110.2°	109.5°
C3	C1	C4	110.4°	109.5°
C1	C3	F2	106.0°	109.5°
C1	C3	F3	107.9°	109.5°
C1	C4	F6	112.2°	109.5°
C1	C4	F5	112.9°	109.5°
C1	C4	F4	105.2°	109.5°
F6	C4	F5	109.7°	109.4°
F6	C4	F4	104.9°	109.5°
F2	C3	F3	110.0°	109.5°
F5	C4	F4	111.4°	109.5°
H1	C5	H2	109.5°	109.9°
H3	C6	H4	109.5°	109.8°
H5	C10	H6	109.4°	109.6°
H12	C11	H13	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	S1	O2	N1	126.7°	123.0°
O1	S1	O2	C2	114.9°	122.9°
O1	S1	N1	C2	117.9°	113.5°
O1	S1	C2	S2	24.2°	156.5°
O1	S1	N1	C5	59.1°	23.8°
O1	S1	N1	C6	176.2°	156.5°
O1	S1	C2	C9	153.9°	23.5°
O2	S1	N1	C2	114.0°	113.5°
O2	S1	C2	S2	144.8°	23.6°
O2	S1	N1	C5	172.9°	156.7°
O2	S1	N1	C6	55.7°	23.5°
O2	S1	C2	C9	33.3°	156.4°
N1	S1	C2	S2	97.1°	90.0°
S1	N1	C5	C6	116.6°	179.7°
S1	N1	C5	C10	177.9°	129.1°
N1	S1	C2	C9	84.8°	90.0°
S1	N1	C6	C11	176.0°	129.1°
S1	N1	C5	H1	57.3°	9.4°
S1	N1	C5	H2	61.4°	111.2°
S1	N1	C6	H3	55.3°	111.2°
S1	N1	C6	H4	63.4°	9.4°
S1	C2	S2	C9	178.4°	180.0°
S1	C2	S2	C12	179.4°	180.0°
C2	S1	N1	C5	58.9°	89.7°
C2	S1	N1	C6	58.3°	90.0°
S1	C2	C9	C13	179.8°	179.9°
S1	C2	C9	H10	0.1°	0.1°
C2	S2	C12	C13	0.1°	0.1°
S2	C2	C9	C13	1.8°	0.1°
S2	C2	C9	H10	178.2°	179.9°
C2	S2	C12	H11	179.8°	179.8°
C12	S2	C2	C9	1.0°	0.0°
S2	C12	C13	H11	180.0°	179.9°
S2	C12	C13	C9	1.4°	0.2°
S2	C12	C13	H7	178.7°	180.0°
N1	C5	C10	H1	120.6°	119.7°
N1	C5	C10	H2	120.6°	119.6°
N1	C5	C10	N2	48.5°	53.8°
C5	N1	C6	C11	56.0°	51.2°
N1	C5	H1	H2	118.0°	120.5°
C5	N1	C6	H3	64.6°	68.5°
C5	N1	C6	H4	176.7°	170.9°
N1	C5	C10	H5	71.6°	66.1°
N1	C5	C10	H6	168.5°	173.8°
C10	C5	N1	C6	65.5°	51.2°
C5	C10	N2	H5	120.1°	119.9°
C5	C10	N2	H6	120.1°	120.0°
C5	C10	N2	C11	23.8°	63.1°
C5	C10	N2	C8	165.2°	172.7°
C10	C5	H1	H2	118.1°	120.5°
C5	C10	H5	H6	119.8°	120.1°
N1	C6	C11	H3	120.6°	119.7°
N1	C6	C11	H4	120.6°	119.7°
N1	C6	C11	N2	33.1°	53.9°
C6	N1	C5	H1	173.9°	170.9°
C6	N1	C5	H2	55.2°	68.5°
N1	C6	H3	H4	118.0°	120.4°
N1	C6	C11	H12	154.2°	173.8°
N1	C6	C11	H13	87.8°	66.2°
C2	C9	C13	C12	2.2°	0.2°
C2	C9	C13	H10	180.0°	180.0°
C2	C9	C13	H7	177.8°	180.0°
C10	N2	C11	C6	17.5°	63.1°
C10	N2	C11	C8	171.6°	124.1°
C10	N2	C8	C16	0.1°	0.6°
C10	N2	C8	C17	179.3°	180.0°
N2	C10	C5	H1	169.1°	173.5°
N2	C10	C5	H2	72.2°	65.8°
N2	C10	H5	H6	119.7°	120.0°
C10	N2	C11	H12	138.5°	176.9°
C10	N2	C11	H13	103.5°	56.9°
C12	C13	C9	H7	180.0°	179.7°
C12	C13	C9	H10	177.9°	179.8°
C9	C13	C12	H11	178.6°	179.7°
C6	C11	N2	H12	121.0°	120.0°
C6	C11	N2	H13	121.0°	120.1°
C6	C11	N2	C8	171.0°	172.7°
C11	C6	H3	H4	118.0°	120.6°
C6	C11	H12	H13	116.9°	120.1°
C11	N2	C8	C16	171.7°	124.8°
C11	N2	C8	C17	9.0°	55.7°
N2	C11	C6	H3	87.5°	65.8°
N2	C11	C6	H4	153.8°	173.5°
C11	N2	C10	H5	96.3°	56.8°
C11	N2	C10	H6	143.9°	176.9°
N2	C11	H12	H13	116.9°	120.0°
N2	C8	C16	C17	179.3°	179.4°
N2	C8	C16	C14	179.5°	179.8°
N2	C8	C17	C15	179.7°	180.0°
C8	N2	C10	H5	74.7°	67.3°
C8	N2	C10	H6	45.1°	52.8°
N2	C8	C17	H9	0.3°	0.0°
C8	N2	C11	H12	50.0°	52.7°
C8	N2	C11	H13	68.1°	67.2°
N2	C8	C16	H14	0.5°	0.6°
C8	C16	C14	H14	180.0°	179.2°
C8	C16	C14	C7	0.0°	0.5°
C16	C8	C17	C15	1.0°	0.5°
C16	C8	C17	H9	179.0°	179.5°
C8	C16	C14	H15	180.0°	180.0°
C14	C16	C8	C17	1.2°	0.8°
C16	C14	C7	H15	180.0°	179.4°
C16	C14	C7	C15	1.4°	0.0°
C16	C14	C7	C1	179.4°	179.8°
C8	C17	C15	H9	180.0°	180.0°
C8	C17	C15	C7	0.4°	0.0°
C8	C17	C15	H8	179.6°	180.0°
C17	C8	C16	H14	178.9°	180.0°
C14	C7	C15	C17	1.6°	0.3°
C14	C7	C15	C1	179.1°	179.7°
C14	C7	C1	O3	24.3°	176.6°
C14	C7	C1	C3	137.3°	56.6°
C14	C7	C1	C4	98.5°	63.4°
C14	C7	C15	H8	178.4°	179.7°
C7	C14	C16	H14	180.0°	179.7°
C17	C15	C7	H8	180.0°	180.0°
C17	C15	C7	C1	179.3°	180.0°
C15	C7	C1	O3	156.6°	3.6°
C15	C7	C1	C3	43.6°	123.6°
C15	C7	C1	C4	80.6°	116.3°
C7	C15	C17	H9	179.6°	180.0°
C15	C7	C14	H15	178.6°	179.4°
C7	C1	O3	C3	118.1°	120.0°
C7	C1	O3	C4	124.2°	120.0°
C7	C1	C3	F1	48.2°	54.4°
C7	C1	C3	C4	125.2°	120.0°
C7	C1	C4	F6	70.9°	180.0°
C7	C1	C3	F2	168.5°	65.5°
C7	C1	C3	F3	73.7°	174.5°
C7	C1	C4	F5	53.7°	60.0°
C7	C1	C4	F4	175.5°	60.0°
C1	C7	C15	H8	0.7°	0.0°
C1	C7	C14	H15	0.6°	0.3°
C7	C1	O3	H16	180.0°	60.0°
O3	C1	C3	F1	69.1°	65.6°
O3	C1	C3	C4	117.5°	120.0°
O3	C1	C4	F6	51.7°	60.0°
O3	C1	C3	F2	51.3°	174.5°
O3	C1	C3	F3	169.0°	54.5°
O3	C1	C4	F5	176.3°	59.9°
O3	C1	C4	F4	61.9°	180.0°
F1	C3	C1	F2	120.3°	120.0°
F1	C3	C1	F3	121.9°	120.0°
F1	C3	C1	C4	173.4°	174.4°
F1	C3	F2	F3	121.6°	120.0°
C3	C1	C4	F6	164.7°	60.0°
C1	C3	F2	F3	116.4°	120.0°
C3	C1	C4	F5	70.7°	180.0°
C3	C1	C4	F4	51.1°	60.0°
C3	C1	O3	H16	61.9°	60.0°
C1	C4	F6	F5	126.4°	119.9°
C1	C4	F6	F4	113.7°	120.0°
C4	C1	C3	F2	66.3°	54.4°
C4	C1	C3	F3	51.5°	65.6°
C1	C4	F5	F4	118.2°	120.0°
C4	C1	O3	H16	55.8°	180.0°
F6	C4	F5	F4	115.8°	120.0°
H1	C5	C10	H5	49.0°	53.6°
H1	C5	C10	H6	70.8°	66.6°
H2	C5	C10	H5	167.8°	174.3°
H2	C5	C10	H6	47.9°	54.1°
H3	C6	C11	H12	33.5°	54.1°
H3	C6	C11	H13	151.5°	174.2°
H4	C6	C11	H12	85.2°	66.5°
H4	C6	C11	H13	32.8°	53.5°
H7	C13	C9	H10	2.1°	0.0°
H7	C13	C12	H11	1.4°	0.1°
H8	C15	C17	H9	0.4°	0.0°
H14	C16	C14	H15	0.0°	0.8°

Release date:	2014-03-12
Definition date:	2013-10-01
Last modified:	2014-03-07
Release status:	REL
Processing site:	RCSB
Derived from:	4MSU