8LZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C11	sing	1.55Å	1.52Å
C10	C9	sing	1.55Å	1.52Å
C11	C8	sing	1.54Å	1.54Å
C8	C5	sing	1.51Å	1.51Å
C8	N	sing	1.48Å	1.52Å
C9	N	sing	1.48Å	1.51Å
C5	C6	doub	1.38Å	1.39Å	Aromatic
C5	C4	sing	1.38Å	1.40Å	Aromatic
C6	C7	sing	1.38Å	1.39Å	Aromatic
C4	C3	doub	1.39Å	1.39Å	Aromatic
C7	C2	doub	1.39Å	1.39Å	Aromatic
C3	C2	sing	1.39Å	1.41Å	Aromatic
C3	O	sing	1.36Å	1.37Å
C2	O1	sing	1.36Å	1.38Å
O	C	sing	1.43Å	1.45Å
C	C1	sing	1.53Å	1.51Å
O1	C1	sing	1.43Å	1.45Å
C4	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.09Å	1.10Å
C9	H5	sing	1.09Å	1.10Å
C9	H6	sing	1.09Å	1.10Å
C10	H8	sing	1.09Å	1.10Å
C10	H7	sing	1.09Å	1.10Å
C11	H9	sing	1.09Å	1.10Å
C11	H10	sing	1.09Å	1.10Å
N	H11	sing	1.01Å	1.00Å
N	H12	sing	1.01Å	1.00Å
C1	H13	sing	1.09Å	1.10Å
C1	H14	sing	1.09Å	1.10Å
C	H16	sing	1.09Å	1.10Å
C	H15	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C11	C10	C9	105.4°	101.7°
C10	C11	C8	105.6°	103.0°
C11	C10	H8	110.5°	111.0°
C11	C10	H7	110.5°	111.0°
C10	C11	H9	110.4°	110.7°
C10	C11	H10	110.4°	110.7°
C10	C9	N	104.6°	104.8°
C10	C9	H5	110.7°	110.4°
C10	C9	H6	110.7°	110.5°
C9	C10	H8	110.5°	111.0°
C9	C10	H7	110.5°	111.0°
C11	C8	C5	116.7°	109.9°
C11	C8	N	105.1°	107.2°
C11	C8	H4	108.1°	110.0°
C8	C11	H9	110.4°	110.7°
C8	C11	H10	110.4°	110.6°
C5	C8	N	109.9°	109.9°
C8	C5	C6	120.0°	120.0°
C8	C5	C4	121.2°	119.9°
C5	C8	H4	108.4°	109.9°
C8	N	C9	109.1°	108.6°
N	C8	H4	108.3°	109.9°
C8	N	H11	109.6°	109.7°
C8	N	H12	109.5°	109.6°
N	C9	H5	110.7°	110.4°
N	C9	H6	110.7°	110.3°
C9	N	H11	109.6°	109.7°
C9	N	H12	109.6°	109.7°
C6	C5	C4	118.8°	120.1°
C5	C6	C7	121.3°	120.1°
C5	C6	H2	119.4°	119.9°
C5	C4	C3	120.5°	120.1°
C5	C4	H1	119.8°	120.0°
C6	C7	C2	119.8°	120.0°
C7	C6	H2	119.3°	119.9°
C6	C7	H3	120.1°	120.0°
C4	C3	C2	120.1°	119.8°
C4	C3	O	118.0°	119.4°
C3	C4	H1	119.8°	119.9°
C7	C2	C3	119.5°	119.8°
C7	C2	O1	117.9°	119.4°
C2	C7	H3	120.1°	120.0°
C2	C3	O	121.9°	120.8°
C3	C2	O1	122.5°	120.8°
C3	O	C	114.2°	116.7°
C2	O1	C1	116.6°	116.7°
O	C	C1	114.7°	108.3°
O	C	H16	108.1°	109.7°
O	C	H15	108.2°	109.7°
C	C1	O1	110.3°	108.4°
C	C1	H13	109.2°	109.8°
C	C1	H14	109.3°	109.5°
C1	C	H16	108.2°	109.7°
C1	C	H15	108.2°	109.7°
O1	C1	H13	109.3°	109.7°
O1	C1	H14	109.2°	109.7°
H5	C9	H6	109.5°	110.3°
H8	C10	H7	109.5°	110.9°
H9	C11	H10	109.5°	110.8°
H11	N	H12	109.5°	109.6°
H13	C1	H14	109.5°	109.8°
H16	C	H15	109.4°	109.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C11	C10	C9	H8	119.3°	118.1°
C11	C10	C9	H7	119.4°	118.1°
C10	C11	C8	H9	119.4°	118.4°
C10	C11	C8	H10	119.4°	118.3°
C10	C11	C8	C5	141.8°	141.7°
C10	C11	C8	N	19.8°	22.3°
C11	C10	C9	N	30.5°	37.1°
C10	C11	C8	H4	95.7°	97.2°
C11	C10	C9	H5	88.7°	81.7°
C11	C10	C9	H6	149.7°	156.0°
C11	C10	H8	H7	121.9°	123.8°
C10	C11	H9	H10	121.8°	123.3°
C9	C10	C11	C8	31.4°	35.7°
C10	C9	N	C8	18.3°	24.1°
C10	C9	N	H5	119.2°	118.9°
C10	C9	N	H6	119.2°	118.9°
C10	C9	H5	H6	122.3°	122.4°
C9	C10	H8	H7	121.9°	123.8°
C9	C10	C11	H9	150.8°	82.7°
C9	C10	C11	H10	88.0°	154.0°
C10	C9	N	H11	101.6°	95.7°
C10	C9	N	H12	138.2°	143.9°
C11	C8	C5	N	119.5°	117.7°
C11	C8	C5	H4	122.3°	121.2°
C11	C8	N	H4	115.3°	119.6°
C11	C8	N	C9	0.8°	1.0°
C11	C8	C5	C6	130.2°	77.7°
C11	C8	C5	C4	48.6°	102.2°
C8	C11	C10	H8	150.8°	82.5°
C8	C11	C10	H7	87.9°	153.8°
C8	C11	H9	H10	121.8°	123.2°
C11	C8	N	H11	120.8°	118.9°
C11	C8	N	H12	119.1°	120.8°
C5	C8	N	H4	118.3°	121.1°
C5	C8	N	C9	127.2°	118.4°
C8	C5	C6	C4	178.9°	180.0°
C8	C5	C6	C7	179.7°	179.9°
C8	C5	C4	C3	179.1°	180.0°
C8	C5	C4	H1	0.9°	0.3°
C8	C5	C6	H2	0.3°	0.1°
C5	C8	C11	H9	98.8°	23.3°
C5	C8	C11	H10	22.4°	100.0°
C5	C8	N	H11	112.8°	121.8°
C5	C8	N	H12	7.3°	1.4°
C8	N	C9	H11	119.9°	119.8°
C8	N	C9	H12	119.9°	119.8°
N	C8	C5	C6	110.2°	40.0°
N	C8	C5	C4	71.0°	140.0°
C8	N	C9	H5	100.9°	94.8°
C8	N	C9	H6	137.5°	143.0°
N	C8	C11	H9	139.2°	96.1°
N	C8	C11	H10	99.6°	140.7°
C8	N	H11	H12	120.1°	120.4°
C9	N	C8	H4	114.5°	120.5°
N	C9	H5	H6	122.3°	122.2°
N	C9	C10	H8	149.9°	81.0°
N	C9	C10	H7	88.8°	155.2°
C9	N	H11	H12	120.2°	120.5°
C5	C6	C7	H2	180.0°	180.0°
C6	C5	C4	C3	0.3°	0.0°
C5	C6	C7	C2	0.3°	0.0°
C6	C5	C4	H1	179.7°	179.8°
C5	C6	C7	H3	179.6°	180.0°
C6	C5	C8	H4	7.9°	161.0°
C4	C5	C6	C7	1.4°	0.0°
C5	C4	C3	H1	180.0°	179.8°
C5	C4	C3	C2	1.9°	0.1°
C5	C4	C3	O	178.9°	179.4°
C4	C5	C6	H2	178.6°	179.9°
C4	C5	C8	H4	170.9°	19.0°
C6	C7	C2	H3	180.0°	180.0°
C6	C7	C2	C3	1.8°	0.1°
C6	C7	C2	O1	174.0°	179.7°
C4	C3	C2	C7	2.9°	0.2°
C4	C3	C2	O	179.2°	179.5°
C4	C3	C2	O1	172.7°	179.6°
C4	C3	O	C	170.6°	162.9°
C7	C2	C3	O1	175.7°	179.8°
C7	C2	C3	O	177.9°	179.3°
C7	C2	O1	C1	167.7°	162.8°
C2	C7	C6	H2	179.6°	180.0°
C2	C3	O	C	10.2°	17.6°
C3	C2	O1	C1	8.0°	17.4°
C2	C3	C4	H1	178.1°	179.9°
C3	C2	C7	H3	178.2°	179.9°
O	C3	C2	O1	6.4°	0.8°
C3	O	C	C1	39.8°	46.2°
O	C3	C4	H1	1.1°	0.4°
C3	O	C	H16	81.0°	165.9°
C3	O	C	H15	160.6°	73.4°
C2	O1	C1	C	35.6°	46.0°
O1	C2	C7	H3	5.9°	0.3°
C2	O1	C1	H13	155.7°	165.9°
C2	O1	C1	H14	84.5°	73.5°
O	C	C1	H16	120.8°	119.7°
O	C	C1	H15	120.8°	119.7°
O	C	C1	O1	52.5°	59.5°
O	C	C1	H13	172.7°	179.3°
O	C	C1	H14	67.6°	60.2°
O	C	H16	H15	117.6°	120.6°
C	C1	O1	H13	120.1°	119.8°
C	C1	O1	H14	120.1°	119.5°
C	C1	H13	H14	119.6°	120.4°
C1	C	H16	H15	117.6°	120.5°
O1	C1	H13	H14	119.6°	120.6°
O1	C1	C	H16	68.2°	179.2°
O1	C1	C	H15	173.3°	60.2°
H2	C6	C7	H3	0.4°	0.0°
H4	C8	C11	H9	23.7°	144.4°
H4	C8	C11	H10	144.9°	21.2°
H4	C8	N	H11	5.4°	0.7°
H4	C8	N	H12	125.5°	119.7°
H5	C9	C10	H8	30.7°	160.1°
H5	C9	C10	H7	152.0°	36.3°
H5	C9	N	H11	139.1°	145.4°
H5	C9	N	H12	19.0°	25.0°
H6	C9	C10	H8	90.9°	37.8°
H6	C9	C10	H7	30.4°	86.0°
H6	C9	N	H11	17.6°	23.2°
H6	C9	N	H12	102.6°	97.2°
H8	C10	C11	H9	89.8°	159.2°
H8	C10	C11	H10	31.4°	35.8°
H7	C10	C11	H9	31.5°	35.4°
H7	C10	C11	H10	152.7°	87.9°
H13	C1	C	H16	51.9°	61.0°
H13	C1	C	H15	66.5°	59.6°
H14	C1	C	H16	171.7°	59.5°
H14	C1	C	H15	53.2°	179.9°

Release date:	2018-02-28
Definition date:	2017-02-10
Last modified:	2018-02-23
Release status:	REL
Processing site:	EBI
Derived from:	5N39