L7S

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.53Å	1.51Å
N	C1	sing	1.46Å	1.48Å
N	C2	sing	1.34Å	1.38Å
N	C5	sing	1.34Å	1.38Å
O	C2	doub	1.21Å	1.22Å
N1	C12	sing	1.35Å	1.33Å
O1	C5	doub	1.21Å	1.22Å
C2	C3	sing	1.51Å	1.53Å
O2	C12	doub	1.22Å	1.24Å
C3	C4	sing	1.54Å	1.55Å
C4	C5	sing	1.51Å	1.52Å
C4	C6	sing	1.51Å	1.52Å
C6	C7	doub	1.38Å	1.39Å	Aromatic
C6	C11	sing	1.38Å	1.39Å	Aromatic
C7	C8	sing	1.38Å	1.39Å	Aromatic
C8	C9	doub	1.38Å	1.38Å	Aromatic
C9	C10	sing	1.40Å	1.39Å	Aromatic
C10	C11	doub	1.40Å	1.39Å	Aromatic
C10	C12	sing	1.48Å	1.49Å
C	H	sing	1.09Å	1.10Å
C	HA	sing	1.09Å	1.10Å
C	HB	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
N1	HN1	sing	0.97Å	1.00Å
N1	HN1A	sing	0.97Å	1.00Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C7	H7	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	N	113.8°	109.5°
C1	C	H	109.5°	109.5°
C1	C	HA	109.5°	109.5°
C1	C	HB	109.5°	109.4°
C	C1	H1	108.4°	109.5°
C	C1	H1A	108.4°	109.4°
C1	N	C2	123.6°	122.7°
C1	N	C5	123.5°	122.8°
N	C1	H1	108.4°	109.5°
N	C1	H1A	108.4°	109.5°
C2	N	C5	112.9°	114.5°
N	C2	O	124.6°	125.4°
N	C2	C3	109.0°	109.2°
N	C5	O1	125.1°	125.4°
N	C5	C4	106.7°	109.2°
O	C2	C3	126.0°	125.4°
N1	C12	O2	123.0°	120.0°
N1	C12	C10	117.7°	120.0°
C12	N1	HN1	120.0°	120.0°
C12	N1	HN1A	120.0°	119.9°
O1	C5	C4	128.2°	125.4°
C2	C3	C4	100.4°	103.6°
C2	C3	H3	111.7°	110.6°
C2	C3	H3A	111.7°	110.6°
O2	C12	C10	119.2°	120.0°
C3	C4	C5	104.8°	103.5°
C3	C4	C6	126.4°	110.6°
C4	C3	H3	111.7°	110.6°
C4	C3	H3A	111.7°	110.6°
C3	C4	H4	102.6°	110.6°
C5	C4	C6	114.2°	110.8°
C5	C4	H4	102.9°	110.4°
C4	C6	C7	119.6°	119.9°
C4	C6	C11	119.6°	119.9°
C6	C4	H4	102.9°	110.7°
C7	C6	C11	118.5°	120.2°
C6	C7	C8	120.7°	120.3°
C6	C7	H7	119.7°	119.9°
C6	C11	C10	121.0°	119.8°
C6	C11	H11	119.5°	120.1°
C7	C8	C9	120.1°	120.1°
C8	C7	H7	119.7°	119.8°
C7	C8	H8	120.0°	120.0°
C8	C9	C10	120.1°	119.9°
C9	C8	H8	120.0°	119.9°
C8	C9	H9	120.0°	120.1°
C9	C10	C11	119.3°	119.7°
C9	C10	C12	122.5°	120.2°
C10	C9	H9	119.9°	120.0°
C11	C10	C12	118.1°	120.1°
C10	C11	H11	119.5°	120.1°
H	C	HA	109.5°	109.5°
H	C	HB	109.5°	109.5°
HA	C	HB	109.4°	109.5°
H1	C1	H1A	109.5°	109.4°
HN1	N1	HN1A	120.0°	120.1°
H3	C3	H3A	109.5°	110.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	N	H1	120.6°	120.0°
C	C1	N	H1A	120.6°	120.0°
C	C1	N	C2	84.2°	90.0°
C	C1	N	C5	96.9°	90.2°
C1	C	H	HA	120.0°	120.0°
C1	C	H	HB	120.0°	119.9°
C1	C	HA	HB	120.0°	120.0°
C	C1	H1	H1A	118.0°	119.9°
C1	N	C2	C5	179.0°	179.8°
C1	N	C2	O	15.0°	0.0°
C1	N	C5	O1	11.1°	0.1°
C1	N	C2	C3	172.4°	180.0°
C1	N	C5	C4	171.1°	179.8°
N	C1	C	H	180.0°	60.0°
N	C1	C	HA	60.0°	180.0°
N	C1	C	HB	60.0°	60.0°
N	C1	H1	H1A	118.0°	120.0°
N	C2	O	C3	171.4°	180.0°
C2	N	C5	O1	169.9°	179.7°
N	C2	C3	C4	20.5°	0.0°
C2	N	C5	C4	8.0°	0.4°
C2	N	C1	H1	36.4°	30.0°
C2	N	C1	H1A	155.2°	150.0°
N	C2	C3	H3	98.0°	118.5°
N	C2	C3	H3A	139.0°	118.5°
C5	N	C2	O	164.1°	179.8°
N	C5	O1	C4	177.4°	179.9°
C5	N	C2	C3	8.6°	0.2°
N	C5	C4	C3	20.8°	0.3°
N	C5	C4	C6	163.1°	118.3°
C5	N	C1	H1	142.5°	149.8°
C5	N	C1	H1A	23.7°	29.8°
N	C5	C4	H4	86.2°	118.8°
O	C2	C3	C4	152.1°	180.0°
O	C2	C3	H3	89.4°	61.5°
O	C2	C3	H3A	33.6°	61.5°
N1	C12	O2	C10	177.3°	180.0°
N1	C12	C10	C9	77.3°	0.0°
N1	C12	C10	C11	107.1°	179.7°
C12	N1	HN1	HN1A	180.0°	180.0°
O1	C5	C4	C3	157.0°	179.8°
O1	C5	C4	C6	14.7°	61.7°
O1	C5	C4	H4	96.0°	61.3°
C2	C3	C4	H3	118.5°	118.5°
C2	C3	C4	H3A	118.5°	118.5°
C2	C3	C4	C5	24.1°	0.2°
C2	C3	C4	C6	160.3°	118.5°
C2	C3	H3	H3A	124.3°	122.9°
C2	C3	C4	H4	83.1°	118.5°
O2	C12	C10	C9	105.3°	180.0°
O2	C12	C10	C11	70.3°	0.2°
O2	C12	N1	HN1	0.0°	0.0°
O2	C12	N1	HN1A	180.0°	180.0°
C3	C4	C5	C6	142.3°	118.6°
C3	C4	C5	H4	107.0°	118.4°
C3	C4	C6	H4	116.6°	123.0°
C3	C4	C6	C7	173.1°	59.9°
C3	C4	C6	C11	10.2°	119.7°
C4	C3	H3	H3A	124.2°	122.9°
C5	C4	C6	H4	110.7°	122.8°
C5	C4	C6	C7	54.1°	54.3°
C5	C4	C6	C11	143.0°	126.1°
C5	C4	C3	H3	94.4°	118.7°
C5	C4	C3	H3A	142.6°	118.3°
C4	C6	C7	C11	163.1°	179.7°
C4	C6	C7	C8	157.6°	180.0°
C4	C6	C11	C10	156.2°	179.7°
C6	C4	C3	H3	41.7°	0.0°
C6	C4	C3	H3A	81.2°	123.0°
C4	C6	C7	H7	22.4°	0.0°
C4	C6	C11	H11	23.8°	0.0°
C6	C7	C8	H7	180.0°	179.9°
C6	C7	C8	C9	1.1°	0.1°
C7	C6	C11	C10	6.9°	0.6°
C7	C6	C4	H4	56.6°	177.1°
C6	C7	C8	H8	178.9°	180.0°
C7	C6	C11	H11	173.1°	179.7°
C11	C6	C7	C8	5.5°	0.3°
C6	C11	C10	C9	3.8°	0.6°
C6	C11	C10	H11	180.0°	179.7°
C6	C11	C10	C12	171.9°	179.7°
C11	C6	C4	H4	106.3°	3.3°
C11	C6	C7	H7	174.4°	179.7°
C7	C8	C9	H8	180.0°	179.9°
C7	C8	C9	C10	2.1°	0.0°
C7	C8	C9	H9	177.9°	180.0°
C8	C9	C10	H9	180.0°	179.9°
C8	C9	C10	C11	0.8°	0.3°
C8	C9	C10	C12	176.3°	179.9°
C9	C8	C7	H7	178.9°	180.0°
C9	C10	C11	C12	175.7°	179.8°
C10	C9	C8	H8	177.9°	179.9°
C9	C10	C11	H11	176.2°	179.7°
C11	C10	C9	H9	179.2°	179.8°
C10	C12	N1	HN1	177.3°	179.9°
C10	C12	N1	HN1A	2.7°	0.0°
C12	C10	C9	H9	3.7°	0.0°
C12	C10	C11	H11	8.1°	0.0°
H	C	HA	HB	120.0°	120.0°
H	C	C1	H1	59.3°	180.0°
H	C	C1	H1A	59.4°	60.0°
HA	C	C1	H1	60.7°	60.0°
HA	C	C1	H1A	179.4°	60.0°
HB	C	C1	H1	179.4°	60.1°
HB	C	C1	H1A	60.6°	NaN°
H3	C3	C4	H4	158.4°	123.0°
H3A	C3	C4	H4	35.4°	0.0°
H7	C7	C8	H8	1.1°	0.1°
H8	C8	C9	H9	2.1°	0.1°

Release date:	2015-03-04
Definition date:	2014-07-02
Last modified:	2015-02-27
Release status:	REL
Processing site:	EBI
Derived from:	4US2