Obsolete: BH4

BH4 was replaced with H4B on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	doub	1.32Å	1.35Å	Aromatic
N1	C10	sing	1.34Å	1.38Å	Aromatic
C2	N3	sing	1.36Å	1.36Å	Aromatic
C2	N11	sing	1.37Å	1.32Å
N8	C7	sing	1.47Å	1.46Å
N8	C10	sing	1.39Å	1.33Å
N8	HN8	sing	0.97Å	1.02Å
C7	C6	sing	1.54Å	1.52Å
C7	H71	sing	1.09Å	1.12Å
C7	H72	sing	1.09Å	1.11Å
C6	N5	sing	1.47Å	1.53Å
C6	C13	sing	1.53Å	1.54Å
C6	H6	sing	1.09Å	1.11Å
N5	C9	sing	1.41Å	1.47Å
N5	HN5	sing	0.97Å	1.02Å
C4	N3	sing	1.35Å	1.41Å	Aromatic
C4	C9	sing	1.40Å	1.41Å	Aromatic
C4	O12	doub	1.22Å	1.23Å
N3	HN3	sing	0.97Å	1.02Å
C10	C9	doub	1.39Å	1.38Å	Aromatic
C17	C15	sing	1.53Å	1.49Å
C17	H171	sing	1.09Å	1.12Å
C17	H172	sing	1.09Å	1.11Å
C17	H173	sing	1.09Å	1.11Å
O16	C15	sing	1.43Å	1.42Å
O16	H16	sing	0.97Å	0.95Å
C15	C13	sing	1.53Å	1.54Å
C15	H15	sing	1.09Å	1.12Å
N11	H111	sing	0.97Å	1.02Å
N11	H112	sing	0.97Å	1.02Å
C13	O14	sing	1.43Å	1.42Å
C13	H13	sing	1.09Å	1.11Å
O14	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	C10	122.2°	121.0°
N1	C2	N3	117.9°	121.6°
N1	C2	N11	123.0°	119.2°
N1	C10	N8	119.1°	120.5°
N1	C10	C9	118.4°	119.6°
N3	C2	N11	119.1°	119.2°
C2	N3	C4	125.1°	120.2°
C2	N3	HN3	115.5°	119.9°
C2	N11	H111	123.0°	120.0°
C2	N11	H112	107.4°	120.0°
C7	N8	C10	121.6°	119.0°
C7	N8	HN8	107.9°	120.5°
N8	C7	C6	113.9°	108.4°
N8	C7	H71	110.6°	109.8°
N8	C7	H72	110.6°	109.7°
C10	N8	HN8	107.9°	120.5°
N8	C10	C9	122.5°	119.9°
C6	C7	H71	110.6°	109.7°
C6	C7	H72	110.6°	109.6°
C7	C6	N5	109.7°	108.1°
C7	C6	C13	115.4°	109.8°
C7	C6	H6	104.1°	109.8°
H71	C7	H72	99.7°	109.7°
N5	C6	C13	105.7°	109.8°
N5	C6	H6	114.1°	109.7°
C6	N5	C9	113.5°	118.4°
C6	N5	HN5	110.7°	120.8°
C13	C6	H6	108.2°	109.7°
C6	C13	C15	112.7°	109.5°
C6	C13	O14	113.9°	109.5°
C6	C13	H13	103.5°	109.5°
C9	N5	HN5	110.7°	120.8°
N5	C9	C4	116.9°	120.7°
N5	C9	C10	120.4°	120.2°
N3	C4	C9	113.8°	118.5°
N3	C4	O12	119.1°	120.7°
C4	N3	HN3	119.5°	119.9°
C9	C4	O12	127.1°	120.8°
C4	C9	C10	122.6°	119.1°
C15	C17	H171	109.9°	109.5°
C15	C17	H172	112.1°	109.4°
C15	C17	H173	112.0°	109.5°
C17	C15	O16	109.9°	109.5°
C17	C15	C13	111.3°	109.5°
C17	C15	H15	106.4°	109.4°
H171	C17	H172	112.0°	109.5°
H171	C17	H173	112.0°	109.5°
H172	C17	H173	98.4°	109.5°
C15	O16	H16	109.9°	106.8°
O16	C15	C13	104.4°	109.4°
O16	C15	H15	113.2°	109.5°
C13	C15	H15	111.7°	109.5°
C15	C13	O14	108.0°	109.4°
C15	C13	H13	109.9°	109.5°
H111	N11	H112	107.4°	120.0°
O14	C13	H13	108.6°	109.5°
C13	O14	H14	113.9°	106.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C2	N3	N11	179.9°	179.9°
C2	N1	C10	N8	180.0°	179.8°
N1	C2	N3	C4	0.1°	0.0°
N1	C2	N3	HN3	179.9°	179.9°
C2	N1	C10	C9	0.2°	0.2°
N1	C2	N11	H111	180.0°	0.0°
N1	C2	N11	H112	54.7°	180.0°
C10	N1	C2	N3	0.4°	0.1°
C10	N1	C2	N11	179.7°	180.0°
N1	C10	N8	C7	179.8°	162.8°
N1	C10	N8	C9	179.7°	180.0°
N1	C10	N8	HN8	54.6°	17.1°
N1	C10	C9	N5	179.9°	179.8°
N1	C10	C9	C4	0.3°	0.2°
C2	N3	C4	HN3	180.0°	179.9°
C2	N3	C4	C9	0.4°	0.0°
C2	N3	C4	O12	179.9°	180.0°
N3	C2	N11	H111	0.1°	179.9°
N3	C2	N11	H112	125.2°	0.0°
N11	C2	N3	C4	179.9°	179.9°
N11	C2	N3	HN3	0.0°	0.2°
C2	N11	H111	H112	125.2°	179.9°
C7	N8	C10	HN8	125.2°	179.9°
N8	C7	C6	H71	125.3°	119.8°
N8	C7	C6	H72	125.3°	119.7°
N8	C7	H71	H72	116.5°	120.6°
N8	C7	C6	N5	45.9°	56.4°
N8	C7	C6	C13	165.1°	63.2°
N8	C7	C6	H6	76.5°	176.1°
C7	N8	C10	C9	0.1°	17.2°
C10	N8	C7	C6	24.6°	45.7°
C10	N8	C7	H71	100.6°	74.1°
C10	N8	C7	H72	149.9°	165.3°
N8	C10	C9	N5	0.4°	0.2°
N8	C10	C9	C4	179.5°	179.8°
HN8	N8	C7	C6	149.9°	134.4°
HN8	N8	C7	H71	24.7°	105.8°
HN8	N8	C7	H72	84.8°	14.8°
HN8	N8	C10	C9	125.1°	162.9°
C6	C7	H71	H72	116.4°	120.5°
C7	C6	N5	C13	125.0°	119.7°
C7	C6	N5	H6	116.3°	119.7°
C7	C6	C13	H6	116.1°	120.7°
C7	C6	N5	C9	45.5°	44.1°
C7	C6	N5	HN5	170.8°	135.8°
C7	C6	C13	C15	58.3°	179.3°
C7	C6	C13	O14	65.2°	60.7°
C7	C6	C13	H13	177.0°	59.3°
H71	C7	C6	N5	79.4°	63.4°
H71	C7	C6	C13	39.8°	177.0°
H71	C7	C6	H6	158.2°	56.3°
H72	C7	C6	N5	171.2°	176.1°
H72	C7	C6	C13	69.6°	56.5°
H72	C7	C6	H6	48.8°	64.2°
N5	C6	C13	H6	122.6°	120.7°
C6	N5	C9	HN5	125.3°	179.9°
C6	N5	C9	C4	156.3°	164.1°
C6	N5	C9	C10	23.9°	15.9°
N5	C6	C13	C15	179.7°	60.7°
N5	C6	C13	O14	56.1°	179.3°
N5	C6	C13	H13	61.6°	59.3°
C13	C6	N5	C9	170.5°	75.6°
C13	C6	N5	HN5	64.3°	104.5°
C6	C13	C15	C17	170.6°	180.0°
C6	C13	C15	O16	52.1°	60.0°
C6	C13	C15	O14	126.8°	120.0°
C6	C13	C15	H13	114.9°	120.0°
C6	C13	C15	H15	70.6°	60.0°
C6	C13	O14	H13	114.8°	120.0°
C6	C13	O14	H14	180.0°	60.1°
H6	C6	N5	C9	70.8°	163.8°
H6	C6	N5	HN5	54.5°	16.1°
H6	C6	C13	C15	57.8°	59.9°
H6	C6	C13	O14	178.7°	60.0°
H6	C6	C13	H13	60.9°	179.9°
N5	C9	C4	N3	179.6°	179.9°
N5	C9	C4	C10	179.8°	180.0°
N5	C9	C4	O12	0.2°	0.1°
HN5	N5	C9	C4	31.0°	16.0°
HN5	N5	C9	C10	149.2°	164.0°
N3	C4	C9	O12	179.5°	180.0°
N3	C4	C9	C10	0.5°	0.1°
C9	C4	N3	HN3	179.6°	179.9°
O12	C4	N3	HN3	0.1°	0.1°
O12	C4	C9	C10	180.0°	179.9°
C15	C17	H171	H172	125.3°	120.0°
C15	C17	H171	H173	125.3°	120.0°
C15	C17	H172	H173	118.0°	120.0°
C17	C15	O16	C13	119.5°	120.0°
C17	C15	O16	H15	118.8°	120.0°
C17	C15	O16	H16	180.0°	60.0°
C17	C15	C13	H15	118.8°	120.0°
C17	C15	C13	O14	62.6°	60.0°
C17	C15	C13	H13	55.7°	60.0°
H171	C17	H172	H173	118.0°	120.1°
H171	C17	C15	O16	180.0°	60.0°
H171	C17	C15	C13	64.8°	179.9°
H171	C17	C15	H15	57.1°	60.0°
H172	C17	C15	O16	54.8°	60.0°
H172	C17	C15	C13	170.0°	60.0°
H172	C17	C15	H15	68.1°	180.0°
H173	C17	C15	O16	54.8°	180.0°
H173	C17	C15	C13	60.5°	60.0°
H173	C17	C15	H15	177.6°	60.0°
O16	C15	C13	H15	122.7°	120.0°
O16	C15	C13	O14	178.8°	180.0°
O16	C15	C13	H13	62.8°	60.0°
H16	O16	C15	C13	60.5°	60.0°
H16	O16	C15	H15	61.2°	180.0°
C15	C13	O14	H13	119.2°	120.0°
C15	C13	O14	H14	53.9°	60.0°
H15	C15	C13	O14	56.2°	60.0°
H15	C15	C13	H13	174.5°	180.0°
H13	C13	O14	H14	65.2°	179.9°

Definition date:	1999-07-08
Last modified:	2008-10-14
Release status:	OBS
Processing site:	EBI
Replaced by:	H4B
Derived from:	1D1W