H9T

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O11	C7	sing	1.43Å	1.43Å
C7	C6	sing	1.53Å	1.52Å
C6	C5	sing	1.52Å	1.53Å
C6	C1	sing	1.52Å	1.53Å
N1	C1	sing	1.48Å	1.48Å
C5	C4	sing	1.51Å	1.51Å
C5	O8	sing	1.43Å	1.44Å
C1	C2	sing	1.52Å	1.52Å
C4	O9	sing	1.43Å	1.43Å
C4	C3	sing	1.51Å	1.53Å
C2	C3	sing	1.52Å	1.54Å
C3	O10	sing	1.43Å	1.42Å
C2	N1	sing	1.46Å	2.38Å
C1	H1	sing	1.09Å	1.10Å
C2	H2	sing	1.09Å	1.10Å
C3	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.09Å	1.10Å
C5	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
O8	H7	sing	0.97Å	0.95Å
O9	H8	sing	0.97Å	0.95Å
O10	H9	sing	0.97Å	0.95Å
C7	H10	sing	1.09Å	1.10Å
C7	H11	sing	1.09Å	1.10Å
O11	H12	sing	0.97Å	0.95Å
N1	H13	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O11	C7	C6	111.2°	109.5°
O11	C7	H10	109.0°	109.5°
O11	C7	H11	109.0°	109.5°
C7	O11	H12	109.5°	114.0°
C7	C6	C5	109.5°	108.9°
C7	C6	C1	112.5°	108.2°
C7	C6	H6	106.9°	108.8°
C6	C7	H10	109.0°	109.5°
C6	C7	H11	109.0°	109.4°
C5	C6	C1	114.1°	112.0°
C6	C5	C4	111.2°	112.5°
C6	C5	O8	113.9°	109.4°
C6	C5	H5	107.8°	108.5°
C5	C6	H6	106.7°	108.9°
C6	C1	N1	111.8°	115.6°
C6	C1	C2	115.0°	120.7°
C6	C1	H1	108.1°	115.5°
C1	C6	H6	106.7°	110.0°
N1	C1	C2	104.7°	58.3°
C1	N1	C2	38.3°	62.3°
N1	C1	H1	108.8°	117.3°
C1	N1	H13	123.1°	111.0°
C4	C5	O8	106.6°	108.8°
C5	C4	O9	106.6°	108.8°
C5	C4	C3	108.0°	112.9°
C5	C4	H4	110.1°	108.7°
C4	C5	H5	108.2°	108.8°
O8	C5	H5	109.0°	108.7°
C5	O8	H7	109.5°	114.0°
C1	C2	C3	114.0°	120.1°
C1	C2	N1	37.0°	59.3°
C2	C1	H1	108.2°	117.3°
C1	C2	H2	121.5°	115.9°
O9	C4	C3	111.3°	108.8°
O9	C4	H4	111.2°	108.8°
C4	O9	H8	109.5°	113.9°
C4	C3	C2	114.3°	112.7°
C4	C3	O10	108.2°	108.8°
C4	C3	H3	108.0°	108.8°
C3	C4	H4	109.7°	108.8°
C2	C3	O10	108.9°	108.8°
C3	C2	N1	102.4°	120.6°
C3	C2	H2	121.1°	114.6°
C2	C3	H3	107.9°	108.9°
O10	C3	H3	109.5°	108.8°
C3	O10	H9	109.5°	113.9°
N1	C2	H2	109.5°	115.3°
C2	N1	H13	123.1°	111.0°
H10	C7	H11	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O11	C7	C6	H10	120.3°	120.0°
O11	C7	C6	H11	120.3°	120.0°
O11	C7	C6	C5	175.6°	65.0°
O11	C7	C6	C1	56.5°	173.1°
O11	C7	C6	H6	60.4°	53.6°
O11	C7	H10	H11	119.2°	120.0°
C7	C6	C5	C1	127.0°	119.6°
C7	C6	C5	H6	115.4°	118.6°
C7	C6	C1	H6	117.0°	118.7°
C7	C6	C1	N1	142.3°	152.7°
C7	C6	C5	C4	155.4°	167.2°
C7	C6	C5	O8	35.0°	46.1°
C7	C6	C1	C2	98.4°	140.5°
C7	C6	C1	H1	22.6°	10.4°
C7	C6	C5	H5	86.1°	72.4°
C6	C7	H10	H11	119.2°	120.0°
C6	C7	O11	H12	180.0°	180.0°
C5	C6	C1	H6	117.6°	121.3°
C5	C6	C1	N1	92.2°	87.3°
C6	C5	C4	O8	124.6°	121.4°
C6	C5	C4	H5	118.2°	120.3°
C6	C5	O8	H5	120.4°	118.4°
C5	C6	C1	C2	27.0°	20.5°
C6	C5	C4	O9	173.8°	175.7°
C6	C5	C4	C3	66.6°	63.5°
C5	C6	C1	H1	148.1°	130.4°
C6	C5	C4	H4	53.1°	57.4°
C6	C5	O8	H7	180.0°	176.8°
C5	C6	C7	H10	64.1°	55.0°
C5	C6	C7	H11	55.3°	175.0°
C6	C1	N1	C2	125.1°	111.7°
C6	C1	N1	H1	119.3°	141.6°
C1	C6	C5	C4	28.4°	47.6°
C1	C6	C5	O8	92.0°	73.4°
C6	C1	C2	H1	121.0°	150.4°
C6	C1	C2	C3	44.6°	7.0°
C6	C1	C2	H2	156.2°	151.7°
C1	C6	C5	H5	146.9°	168.1°
C1	C6	C7	H10	63.8°	66.9°
C1	C6	C7	H11	176.8°	53.1°
C6	C1	N1	H13	22.1°	8.3°
N1	C1	C2	H1	115.9°	106.7°
C1	N1	C2	C3	113.6°	109.0°
C1	N1	C2	H13	103.0°	103.4°
C1	N1	C2	H2	116.7°	106.3°
N1	C1	C6	H6	25.4°	33.9°
C4	C5	O8	H5	116.6°	118.4°
C5	C4	O9	C3	117.5°	123.3°
C5	C4	O9	H4	119.9°	118.3°
C5	C4	C3	H4	120.0°	120.8°
C5	C4	C3	C2	48.5°	47.0°
C5	C4	C3	O10	170.0°	167.8°
C5	C4	C3	H3	71.6°	73.8°
C4	C5	C6	H6	89.2°	74.2°
C4	C5	O8	H7	57.0°	60.0°
C5	C4	O9	H8	180.0°	56.7°
O8	C5	C4	O9	61.6°	62.9°
O8	C5	C4	C3	58.0°	57.9°
O8	C5	C4	H4	177.8°	178.8°
O8	C5	C6	H6	150.4°	164.7°
C1	C2	C3	C4	5.8°	19.5°
C1	C2	C3	H2	159.3°	145.1°
C1	C2	C3	O10	115.4°	140.3°
C1	C2	C3	H3	125.9°	101.3°
C2	C1	C6	H6	144.6°	100.8°
O9	C4	C3	H4	123.4°	118.4°
O9	C4	C3	C2	165.1°	167.8°
O9	C4	C3	O10	73.4°	71.4°
O9	C4	C3	H3	45.0°	47.0°
O9	C4	C5	H5	55.5°	55.5°
C4	C3	C2	O10	121.1°	120.7°
C4	C3	C2	H3	120.1°	120.8°
C4	C3	O10	H3	117.5°	118.4°
C4	C3	C2	N1	42.9°	50.5°
C4	C3	C2	H2	165.0°	164.7°
C3	C4	C5	H5	175.1°	176.3°
C3	C4	O9	H8	62.6°	180.0°
C4	C3	O10	H9	180.0°	56.9°
C2	C3	O10	H3	117.8°	118.5°
C3	C2	N1	H2	129.7°	144.7°
C3	C2	C1	H1	165.6°	143.4°
C2	C3	C4	H4	71.5°	73.8°
C2	C3	O10	H9	55.2°	180.0°
C3	C2	N1	H13	10.6°	5.6°
O10	C3	C2	N1	78.2°	70.3°
O10	C3	C2	H2	43.9°	74.6°
O10	C3	C4	H4	50.1°	47.0°
N1	C2	C3	H3	163.0°	171.2°
H1	C1	C2	H2	35.2°	1.3°
H1	C1	C6	H6	94.3°	108.4°
H1	C1	N1	H13	141.4°	149.8°
H2	C2	C3	H3	74.8°	43.9°
H2	C2	N1	H13	140.2°	150.3°
H3	C3	C4	H4	168.5°	165.4°
H3	C3	O10	H9	62.5°	61.5°
H4	C4	C5	H5	65.1°	62.9°
H4	C4	O9	H8	60.0°	61.6°
H5	C5	C6	H6	29.3°	46.2°
H5	C5	O8	H7	59.6°	58.4°
H6	C6	C7	H10	179.3°	173.6°
H6	C6	C7	H11	59.9°	66.4°
H10	C7	O11	H12	59.7°	60.0°
H11	C7	O11	H12	59.7°	60.0°

Release date:	2019-10-09
Definition date:	2018-12-03
Last modified:	2019-10-04
Release status:	REL
Processing site:	EBI
Derived from:	6IBT