LB1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O02	C13	doub	1.21Å	1.24Å
O04	C14	doub	1.21Å	1.23Å
O01	C08	sing	1.47Å	1.45Å
O01	C09	sing	1.47Å	1.45Å
C13	C07	sing	1.51Å	1.51Å
C14	C10	sing	1.51Å	1.51Å
C08	C07	sing	1.56Å	1.55Å
C08	C11	sing	1.56Å	1.53Å
C09	C10	sing	1.56Å	1.53Å
C09	C12	sing	1.56Å	1.53Å
C07	C10	sing	1.55Å	1.54Å
C11	C12	sing	1.55Å	1.54Å
C10	H1	sing	1.09Å	1.10Å
C07	H3	sing	1.09Å	1.10Å
C08	H4	sing	1.09Å	1.10Å
C09	H5	sing	1.09Å	1.10Å
C11	H6	sing	1.09Å	1.10Å
C11	H7	sing	1.09Å	1.10Å
C12	H8	sing	1.09Å	1.10Å
C12	H9	sing	1.09Å	1.10Å
C14	O1	sing	1.34Å	12.02Å
C13	N1	sing	1.35Å	11.53Å
N1	C2	sing	1.47Å	0.00Å
C2	C3	sing	1.53Å	0.00Å
C3	N2	sing	1.47Å	0.00Å
N2	C5	sing	1.47Å	0.00Å
C5	C6	sing	1.53Å	0.00Å
C6	N1	sing	1.47Å	0.00Å
N2	C1	sing	1.47Å	0.00Å
O1	H2	sing	0.97Å	0.00Å
C2	H10	sing	1.09Å	0.00Å
C2	H11	sing	1.09Å	0.00Å
C3	H12	sing	1.09Å	0.00Å
C3	H13	sing	1.09Å	0.00Å
C5	H14	sing	1.09Å	0.00Å
C5	H15	sing	1.09Å	0.00Å
C6	H16	sing	1.09Å	0.00Å
C6	H17	sing	1.09Å	0.00Å
C1	H18	sing	1.09Å	0.00Å
C1	H19	sing	1.09Å	0.00Å
C1	H20	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O02	C13	C07	115.5°	120.0°
O02	C13	N1	162.3°	120.0°
O04	C14	C10	119.1°	120.0°
O04	C14	O1	165.8°	120.0°
C08	O01	C09	96.1°	99.6°
O01	C08	C07	102.3°	101.3°
O01	C08	C11	100.4°	101.3°
O01	C08	H4	114.9°	116.2°
O01	C09	C10	102.2°	101.3°
O01	C09	C12	101.8°	101.2°
O01	C09	H5	114.6°	116.3°
C13	C07	C08	109.8°	110.8°
C13	C07	C10	114.2°	110.8°
C13	C07	H3	110.5°	110.6°
C07	C13	N1	59.5°	120.0°
C14	C10	C09	109.2°	110.9°
C14	C10	C07	116.9°	110.7°
C14	C10	H1	109.9°	110.7°
C10	C14	O1	49.9°	120.0°
C07	C08	C11	111.5°	105.4°
C08	C07	C10	102.0°	102.8°
C08	C07	H3	110.0°	110.9°
C07	C08	H4	113.2°	115.4°
C08	C11	C12	101.4°	102.8°
C11	C08	H4	113.5°	115.4°
C08	C11	H6	111.4°	110.8°
C08	C11	H7	111.4°	110.7°
C10	C09	C12	111.0°	105.3°
C09	C10	C07	101.2°	102.8°
C09	C10	H1	109.6°	110.8°
C10	C09	H5	113.1°	115.4°
C09	C12	C11	101.8°	102.8°
C12	C09	H5	113.1°	115.4°
C09	C12	H8	111.4°	110.7°
C09	C12	H9	111.4°	110.7°
C07	C10	H1	109.6°	110.7°
C10	C07	H3	110.1°	110.7°
C12	C11	H6	111.5°	110.7°
C12	C11	H7	111.4°	110.8°
C11	C12	H8	111.3°	110.7°
C11	C12	H9	111.4°	110.7°
H6	C11	H7	109.5°	110.8°
H8	C12	H9	109.5°	110.8°
C14	O1	H2	90.0°	117.0°
C13	N1	C2	90.0°	120.9°
C13	N1	C6	90.0°	120.9°
N1	C2	C3	90.0°	108.5°
C2	N1	C6	90.0°	118.2°
N1	C2	H10	90.0°	109.6°
N1	C2	H11	90.0°	109.7°
C2	C3	N2	90.0°	109.3°
C3	C2	H10	90.0°	109.6°
C3	C2	H11	90.0°	109.6°
C2	C3	H12	90.0°	109.5°
C2	C3	H13	90.0°	109.5°
C3	N2	C5	90.0°	111.3°
C3	N2	C1	90.0°	111.0°
N2	C3	H12	90.0°	109.5°
N2	C3	H13	90.0°	109.5°
N2	C5	C6	90.0°	109.4°
C5	N2	C1	90.0°	111.0°
N2	C5	H14	90.0°	109.5°
N2	C5	H15	90.0°	109.5°
C5	C6	N1	90.0°	108.8°
C6	C5	H14	90.0°	109.6°
C6	C5	H15	90.0°	109.3°
C5	C6	H16	90.0°	109.6°
C5	C6	H17	90.0°	109.6°
N1	C6	H16	90.0°	109.7°
N1	C6	H17	90.0°	109.3°
N2	C1	H18	90.0°	109.5°
N2	C1	H19	90.0°	109.5°
N2	C1	H20	90.0°	109.5°
H10	C2	H11	90.0°	109.7°
H12	C3	H13	90.0°	109.5°
H14	C5	H15	90.0°	109.5°
H16	C6	H17	90.0°	109.8°
H18	C1	H19	90.0°	109.5°
H18	C1	H20	90.0°	109.5°
H19	C1	H20	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O02	C13	C07	N1	160.8°	180.0°
O02	C13	C07	C08	61.3°	28.8°
O02	C13	C07	C10	52.5°	84.6°
O02	C13	C07	H3	177.2°	152.2°
O02	C13	N1	C2	90.0°	0.0°
O02	C13	N1	C6	90.0°	179.7°
O04	C14	C10	O1	169.0°	179.9°
O04	C14	C10	C09	14.6°	27.7°
O04	C14	C10	C07	99.5°	85.8°
O04	C14	C10	H1	134.8°	151.1°
O04	C14	O1	H2	90.0°	0.0°
O01	C08	C07	C13	89.1°	85.9°
O01	C08	C07	C11	106.5°	105.1°
O01	C08	C07	H4	124.1°	126.4°
O01	C08	C11	H4	123.1°	126.4°
C08	O01	C09	C10	57.8°	54.2°
C08	O01	C09	C12	57.1°	54.2°
O01	C08	C07	C10	32.4°	32.4°
O01	C08	C11	C12	38.6°	32.5°
O01	C08	C07	H3	149.1°	150.9°
C08	O01	C09	H5	179.6°	180.0°
O01	C08	C11	H6	80.1°	85.9°
O01	C08	C11	H7	157.2°	150.8°
O01	C09	C10	C14	86.7°	85.9°
C09	O01	C08	C07	55.5°	54.2°
C09	O01	C08	C11	59.3°	54.2°
O01	C09	C10	C12	107.9°	105.1°
O01	C09	C10	H5	123.7°	126.5°
O01	C09	C12	H5	123.5°	126.4°
O01	C09	C10	C07	37.1°	32.4°
O01	C09	C12	C11	32.4°	32.4°
O01	C09	C10	H1	152.8°	150.7°
C09	O01	C08	H4	178.6°	180.0°
O01	C09	C12	H8	151.1°	150.7°
O01	C09	C12	H9	86.4°	85.9°
C13	C07	C10	C14	2.6°	0.2°
C13	C07	C08	C10	121.5°	118.3°
C13	C07	C08	H3	121.8°	123.2°
C13	C07	C08	C11	164.4°	169.0°
C13	C07	C10	C09	121.0°	118.3°
C13	C07	C10	H3	124.9°	123.1°
C13	C07	C10	H1	123.3°	123.3°
C13	C07	C08	H4	35.1°	40.5°
C07	C13	N1	C2	90.0°	180.0°
C07	C13	N1	C6	90.0°	0.3°
C14	C10	C07	C08	115.8°	118.5°
C14	C10	C09	C07	123.9°	118.4°
C14	C10	C09	H1	120.4°	123.3°
C14	C10	C09	C12	165.3°	168.9°
C14	C10	C07	H1	125.9°	123.1°
C14	C10	C07	H3	127.5°	122.9°
C14	C10	C09	H5	37.0°	40.5°
C10	C14	O1	H2	90.0°	180.0°
C07	C08	C11	H4	129.2°	128.5°
C08	C07	C10	C09	2.6°	0.0°
C08	C07	C10	H3	116.7°	118.6°
C07	C08	C11	C12	69.1°	72.7°
C08	C07	C10	H1	118.3°	118.3°
C07	C08	C11	H6	172.2°	169.0°
C07	C08	C11	H7	49.5°	45.6°
C08	C07	C13	N1	137.9°	151.3°
C08	C11	C12	C09	3.8°	0.0°
C11	C08	C07	C10	74.1°	72.7°
C08	C11	C12	H6	118.7°	118.4°
C08	C11	C12	H7	118.7°	118.3°
C11	C08	C07	H3	42.7°	45.7°
C08	C11	H6	H7	123.7°	123.3°
C08	C11	C12	H8	115.0°	118.3°
C08	C11	C12	H9	122.5°	118.3°
C10	C09	C12	H5	128.3°	128.4°
C09	C10	C07	H1	115.7°	118.4°
C10	C09	C12	C11	75.8°	72.7°
C09	C10	C07	H3	114.1°	118.6°
C10	C09	C12	H8	42.9°	45.6°
C10	C09	C12	H9	165.4°	169.0°
C09	C10	C14	O1	154.5°	152.3°
C12	C09	C10	C07	70.8°	72.7°
C09	C12	C11	H8	118.7°	118.3°
C09	C12	C11	H9	118.8°	118.3°
C12	C09	C10	H1	44.9°	45.6°
C09	C12	C11	H6	114.9°	118.3°
C09	C12	C11	H7	122.4°	118.3°
C09	C12	H8	H9	123.6°	123.3°
C10	C07	C08	H4	156.5°	158.8°
C07	C10	C09	H5	160.8°	158.9°
C07	C10	C14	O1	91.5°	94.3°
C10	C07	C13	N1	108.3°	95.3°
C12	C11	C08	H4	161.6°	158.8°
C11	C12	C09	H5	155.8°	158.9°
C12	C11	H6	H7	123.8°	123.3°
C11	C12	H8	H9	123.6°	123.3°
H1	C10	C07	H3	1.6°	0.2°
H1	C10	C09	H5	83.5°	82.8°
H1	C10	C14	O1	34.2°	28.9°
H3	C07	C08	H4	86.7°	82.8°
H3	C07	C13	N1	16.4°	27.8°
H4	C08	C11	H6	42.9°	40.5°
H4	C08	C11	H7	79.7°	82.9°
H5	C09	C12	H8	85.5°	82.8°
H5	C09	C12	H9	37.1°	40.5°
H6	C11	C12	H8	126.3°	123.3°
H6	C11	C12	H9	3.8°	0.0°
H7	C11	C12	H8	3.7°	0.0°
H7	C11	C12	H9	118.8°	123.4°
C13	N1	C2	C6	90.0°	179.7°
C13	N1	C2	C3	90.0°	128.8°
C13	N1	C6	C5	90.0°	128.9°
C13	N1	C2	H10	90.0°	111.5°
C13	N1	C2	H11	90.0°	9.1°
C13	N1	C6	H16	90.0°	9.0°
C13	N1	C6	H17	90.0°	111.5°
N1	C2	C3	H10	90.0°	119.7°
N1	C2	C3	H11	90.0°	119.8°
N1	C2	C3	N2	90.0°	53.8°
C2	N1	C6	C5	90.0°	50.8°
N1	C2	H10	H11	90.0°	120.5°
N1	C2	C3	H12	90.0°	173.8°
N1	C2	C3	H13	90.0°	66.2°
C2	N1	C6	H16	90.0°	170.7°
C2	N1	C6	H17	90.0°	68.8°
C2	C3	N2	H12	90.0°	120.0°
C2	C3	N2	H13	90.0°	120.0°
C2	C3	N2	C5	90.0°	63.1°
C3	C2	N1	C6	90.0°	50.9°
C2	C3	N2	C1	90.0°	172.8°
C3	C2	H10	H11	90.0°	120.5°
C2	C3	H12	H13	90.0°	120.0°
C3	N2	C5	C1	90.0°	124.1°
C3	N2	C5	C6	90.0°	63.0°
N2	C3	C2	H10	90.0°	65.9°
N2	C3	C2	H11	90.0°	173.6°
N2	C3	H12	H13	90.0°	120.1°
C3	N2	C5	H14	90.0°	176.9°
C3	N2	C5	H15	90.0°	56.8°
C3	N2	C1	H18	90.0°	60.0°
C3	N2	C1	H19	90.0°	180.0°
C3	N2	C1	H20	90.0°	60.0°
N2	C5	C6	H14	90.0°	120.1°
N2	C5	C6	H15	90.0°	119.9°
N2	C5	C6	N1	90.0°	53.6°
C5	N2	C3	H12	90.0°	176.9°
C5	N2	C3	H13	90.0°	56.9°
N2	C5	H14	H15	90.0°	120.1°
N2	C5	C6	H16	90.0°	173.6°
N2	C5	C6	H17	90.0°	65.9°
C5	N2	C1	H18	90.0°	64.3°
C5	N2	C1	H19	90.0°	55.7°
C5	N2	C1	H20	90.0°	175.7°
C5	C6	N1	H16	90.0°	119.9°
C5	C6	N1	H17	90.0°	119.6°
C6	C5	N2	C1	90.0°	172.9°
C6	C5	H14	H15	90.0°	119.9°
C5	C6	H16	H17	90.0°	120.4°
C6	N1	C2	H10	90.0°	68.8°
C6	N1	C2	H11	90.0°	170.6°
N1	C6	C5	H14	90.0°	173.6°
N1	C6	C5	H15	90.0°	66.3°
N1	C6	H16	H17	90.0°	120.2°
C1	N2	C3	H12	90.0°	52.8°
C1	N2	C3	H13	90.0°	67.3°
C1	N2	C5	H14	90.0°	52.8°
C1	N2	C5	H15	90.0°	67.3°
N2	C1	H18	H19	90.0°	120.0°
N2	C1	H18	H20	90.0°	120.0°
N2	C1	H19	H20	90.0°	120.0°
H10	C2	C3	H12	90.0°	54.1°
H10	C2	C3	H13	90.0°	174.1°
H11	C2	C3	H12	90.0°	66.4°
H11	C2	C3	H13	90.0°	53.6°
H14	C5	C6	H16	90.0°	66.4°
H14	C5	C6	H17	90.0°	54.2°
H15	C5	C6	H16	90.0°	53.6°
H15	C5	C6	H17	90.0°	174.2°
H18	C1	H19	H20	90.0°	120.0°

Release date:	2018-07-18
Definition date:	2017-07-17
Last modified:	2018-07-13
Release status:	REL
Processing site:	RCSB
Derived from:	5WG8