DNN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	O1	doub	1.21Å	1.23Å
C1	O2	sing	1.34Å	1.24Å
C1	C2	sing	1.51Å	1.53Å
O2	HO2	sing	0.97Å	0.95Å
C2	C3	sing	1.53Å	1.54Å
C2	H21	sing	1.09Å	1.11Å
C2	H22	sing	1.09Å	1.11Å
C3	C4	sing	1.53Å	1.52Å
C3	H31	sing	1.09Å	1.12Å
C3	H32	sing	1.09Å	1.12Å
C4	C5	sing	1.53Å	1.53Å
C4	H41	sing	1.09Å	1.11Å
C4	H42	sing	1.09Å	1.12Å
C5	C6	sing	1.53Å	1.52Å
C5	H51	sing	1.09Å	1.12Å
C5	H52	sing	1.09Å	1.12Å
C6	C7	sing	1.53Å	1.55Å
C6	H61	sing	1.09Å	1.11Å
C6	H62	sing	1.09Å	1.11Å
C7	C8	sing	1.53Å	1.56Å
C7	N7	sing	1.47Å	1.45Å
C7	H7	sing	1.09Å	1.12Å
C8	C9	sing	1.53Å	1.52Å
C8	N8	sing	1.47Å	1.45Å
C8	H8	sing	1.09Å	1.12Å
C9	H91	sing	1.09Å	1.12Å
C9	H92	sing	1.09Å	1.11Å
C9	H93	sing	1.09Å	1.11Å
N7	HN71	sing	1.01Å	1.02Å
N7	HN72	sing	1.01Å	1.02Å
N8	HN81	sing	1.01Å	1.02Å
N8	HN82	sing	1.01Å	1.02Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	O2	121.1°	119.9°
O1	C1	C2	120.2°	120.0°
O2	C1	C2	118.5°	120.1°
C1	O2	HO2	121.2°	120.1°
C1	C2	C3	109.0°	109.6°
C1	C2	H21	112.4°	109.5°
C1	C2	H22	112.4°	109.5°
C3	C2	H21	112.4°	109.5°
C3	C2	H22	112.4°	109.4°
C2	C3	C4	115.0°	109.6°
C2	C3	H31	110.2°	109.5°
C2	C3	H32	110.2°	109.4°
H21	C2	H22	98.1°	109.5°
C4	C3	H31	110.2°	109.6°
C4	C3	H32	110.2°	109.4°
C3	C4	C5	108.9°	109.5°
C3	C4	H41	112.4°	109.5°
C3	C4	H42	112.4°	109.4°
H31	C3	H32	100.0°	109.4°
C5	C4	H41	112.4°	109.5°
C5	C4	H42	112.4°	109.4°
C4	C5	C6	110.1°	109.5°
C4	C5	H51	112.0°	109.5°
C4	C5	H52	112.0°	109.5°
H41	C4	H42	98.1°	109.5°
C6	C5	H51	112.0°	109.5°
C6	C5	H52	112.0°	109.5°
C5	C6	C7	118.9°	109.6°
C5	C6	H61	108.8°	109.5°
C5	C6	H62	108.8°	109.4°
H51	C5	H52	98.4°	109.4°
C7	C6	H61	108.8°	109.5°
C7	C6	H62	108.8°	109.4°
C6	C7	C8	111.2°	109.6°
C6	C7	N7	105.1°	109.5°
C6	C7	H7	111.5°	109.4°
H61	C6	H62	101.3°	109.5°
C8	C7	N7	110.4°	109.5°
C8	C7	H7	106.3°	109.4°
C7	C8	C9	111.2°	109.5°
C7	C8	N8	112.2°	109.5°
C7	C8	H8	106.0°	109.4°
N7	C7	H7	112.4°	109.4°
C7	N7	HN71	105.0°	106.6°
C7	N7	HN72	113.9°	106.7°
C9	C8	N8	108.0°	109.5°
C9	C8	H8	110.3°	109.4°
C8	C9	H91	111.1°	109.5°
C8	C9	H92	111.6°	109.4°
C8	C9	H93	111.5°	109.5°
N8	C8	H8	109.1°	109.5°
C8	N8	HN81	112.3°	106.6°
C8	N8	HN82	111.2°	106.6°
H91	C9	H92	111.6°	109.4°
H91	C9	H93	111.6°	109.5°
H92	C9	H93	98.9°	109.5°
HN71	N7	HN72	113.9°	106.7°
HN81	N8	HN82	111.1°	106.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	O2	C2	175.8°	179.9°
O1	C1	O2	HO2	180.0°	0.1°
O1	C1	C2	C3	88.1°	0.0°
O1	C1	C2	H21	146.7°	120.1°
O1	C1	C2	H22	37.1°	119.9°
O2	C1	C2	C3	87.7°	180.0°
O2	C1	C2	H21	37.5°	60.0°
O2	C1	C2	H22	147.1°	60.0°
C2	C1	O2	HO2	4.2°	180.0°
C1	C2	C3	H21	125.2°	120.0°
C1	C2	C3	H22	125.3°	120.0°
C1	C2	H21	H22	118.3°	120.0°
C1	C2	C3	C4	176.7°	180.0°
C1	C2	C3	H31	58.0°	59.9°
C1	C2	C3	H32	51.4°	60.0°
C3	C2	H21	H22	118.3°	119.9°
C2	C3	C4	H31	125.3°	120.1°
C2	C3	C4	H32	125.3°	120.0°
C2	C3	H31	H32	116.0°	119.9°
C2	C3	C4	C5	178.7°	180.0°
C2	C3	C4	H41	56.1°	59.9°
C2	C3	C4	H42	53.4°	60.0°
H21	C2	C3	C4	51.5°	59.9°
H21	C2	C3	H31	176.8°	179.9°
H21	C2	C3	H32	73.8°	60.1°
H22	C2	C3	C4	58.0°	60.0°
H22	C2	C3	H31	67.3°	60.1°
H22	C2	C3	H32	176.7°	180.0°
C4	C3	H31	H32	116.0°	119.9°
C3	C4	C5	H41	125.3°	120.1°
C3	C4	C5	H42	125.2°	119.9°
C3	C4	H41	H42	118.4°	119.9°
C3	C4	C5	C6	180.0°	180.0°
C3	C4	C5	H51	54.7°	59.9°
C3	C4	C5	H52	54.7°	60.0°
H31	C3	C4	C5	53.4°	59.9°
H31	C3	C4	H41	178.6°	180.0°
H31	C3	C4	H42	71.8°	60.1°
H32	C3	C4	C5	56.0°	60.0°
H32	C3	C4	H41	69.2°	60.1°
H32	C3	C4	H42	178.7°	180.0°
C5	C4	H41	H42	118.3°	120.0°
C4	C5	C6	H51	125.3°	120.1°
C4	C5	C6	H52	125.3°	120.0°
C4	C5	H51	H52	117.9°	120.0°
C4	C5	C6	C7	176.3°	180.0°
C4	C5	C6	H61	58.4°	60.0°
C4	C5	C6	H62	51.1°	60.0°
H41	C4	C5	C6	54.8°	60.0°
H41	C4	C5	H51	180.0°	180.0°
H41	C4	C5	H52	70.5°	60.0°
H42	C4	C5	C6	54.8°	60.0°
H42	C4	C5	H51	70.5°	60.0°
H42	C4	C5	H52	180.0°	180.0°
C6	C5	H51	H52	117.9°	119.9°
C5	C6	C7	H61	125.3°	120.0°
C5	C6	C7	H62	125.2°	120.0°
C5	C6	H61	H62	114.5°	120.0°
C5	C6	C7	C8	58.5°	180.0°
C5	C6	C7	N7	177.9°	59.9°
C5	C6	C7	H7	60.1°	60.0°
H51	C5	C6	C7	51.0°	59.9°
H51	C5	C6	H61	176.3°	180.0°
H51	C5	C6	H62	74.2°	60.0°
H52	C5	C6	C7	58.4°	60.0°
H52	C5	C6	H61	66.9°	60.1°
H52	C5	C6	H62	176.4°	180.0°
C7	C6	H61	H62	114.6°	119.9°
C6	C7	C8	N7	116.2°	120.1°
C6	C7	C8	H7	121.6°	120.0°
C6	C7	N7	H7	121.5°	119.9°
C6	C7	C8	C9	69.5°	180.0°
C6	C7	C8	N8	169.3°	59.9°
C6	C7	C8	H8	50.3°	60.0°
C6	C7	N7	HN71	180.0°	60.1°
C6	C7	N7	HN72	54.7°	173.8°
H61	C6	C7	C8	176.3°	59.9°
H61	C6	C7	N7	56.8°	179.9°
H61	C6	C7	H7	65.2°	60.1°
H62	C6	C7	C8	66.7°	60.0°
H62	C6	C7	N7	52.7°	60.1°
H62	C6	C7	H7	174.7°	180.0°
C8	C7	N7	H7	118.5°	119.9°
C7	C8	C9	N8	123.6°	120.1°
C7	C8	C9	H8	117.2°	119.9°
C7	C8	N8	H8	117.1°	119.9°
C7	C8	C9	H91	180.0°	180.0°
C7	C8	C9	H92	54.8°	60.1°
C7	C8	C9	H93	54.8°	59.9°
C8	C7	N7	HN71	60.0°	60.1°
C8	C7	N7	HN72	65.3°	53.7°
C7	C8	N8	HN81	180.0°	60.1°
C7	C8	N8	HN82	54.8°	173.8°
N7	C7	C8	C9	46.7°	59.9°
N7	C7	C8	N8	74.5°	180.0°
N7	C7	C8	H8	166.5°	60.1°
C7	N7	HN71	HN72	125.3°	113.7°
H7	C7	C8	C9	168.8°	60.0°
H7	C7	C8	N8	47.7°	60.1°
H7	C7	C8	H8	71.3°	180.0°
H7	C7	N7	HN71	58.5°	180.0°
H7	C7	N7	HN72	176.2°	66.3°
C9	C8	N8	H8	119.9°	120.0°
C8	C9	H91	H92	125.2°	120.0°
C8	C9	H91	H93	125.2°	120.1°
C8	C9	H92	H93	117.5°	120.0°
C9	C8	N8	HN81	57.1°	60.0°
C9	C8	N8	HN82	68.2°	53.7°
N8	C8	C9	H91	56.4°	60.0°
N8	C8	C9	H92	68.8°	60.0°
N8	C8	C9	H93	178.3°	180.0°
C8	N8	HN81	HN82	125.3°	113.7°
H8	C8	C9	H91	62.8°	60.0°
H8	C8	C9	H92	172.0°	180.0°
H8	C8	C9	H93	62.4°	60.0°
H8	C8	N8	HN81	62.8°	180.0°
H8	C8	N8	HN82	171.9°	66.2°
H91	C9	H92	H93	117.6°	120.0°

Definition date:	1999-07-08
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1DAH