EDT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O20	C5	sing	1.34Å	1.22Å
O20	H20	sing	0.97Å	0.95Å
C5	O19	doub	1.21Å	1.44Å
C5	C4	sing	1.51Å	1.51Å
C4	N3	sing	1.47Å	1.46Å
C4	H041	sing	1.09Å	1.11Å
C4	H042	sing	1.09Å	1.11Å
N3	C2	sing	1.47Å	1.46Å
N3	C6	sing	1.47Å	1.46Å
C2	C1	sing	1.51Å	1.51Å
C2	H021	sing	1.09Å	1.11Å
C2	H022	sing	1.09Å	1.11Å
C1	O18	doub	1.21Å	1.32Å
C1	O17	sing	1.34Å	1.22Å
O17	H17	sing	0.97Å	0.95Å
C6	C7	sing	1.53Å	1.52Å
C6	H061	sing	1.09Å	1.12Å
C6	H062	sing	1.09Å	1.12Å
C7	N8	sing	1.47Å	1.46Å
C7	H071	sing	1.09Å	1.11Å
C7	H072	sing	1.09Å	1.12Å
N8	C9	sing	1.47Å	1.46Å
N8	C11	sing	1.47Å	1.46Å
C9	C10	sing	1.51Å	1.52Å
C9	H091	sing	1.09Å	1.11Å
C9	H092	sing	1.09Å	1.11Å
C10	O16	sing	1.34Å	1.32Å
C10	O15	doub	1.21Å	1.22Å
O16	H16	sing	0.97Å	0.95Å
C11	C12	sing	1.51Å	1.50Å
C11	H111	sing	1.09Å	1.12Å
C11	H112	sing	1.09Å	1.11Å
C12	O13	doub	1.21Å	1.20Å
C12	O14	sing	1.34Å	1.42Å
O14	H14	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C5	O20	H20	118.2°	120.0°
O20	C5	O19	118.2°	120.0°
O20	C5	C4	118.0°	120.0°
O19	C5	C4	123.6°	120.0°
C5	C4	N3	105.7°	109.4°
C5	C4	H041	113.6°	109.5°
C5	C4	H042	113.6°	109.5°
N3	C4	H041	113.6°	109.4°
N3	C4	H042	113.6°	109.5°
C4	N3	C2	118.1°	106.7°
C4	N3	C6	115.9°	106.7°
H041	C4	H042	96.9°	109.5°
C2	N3	C6	126.0°	106.8°
N3	C2	C1	103.6°	109.5°
N3	C2	H021	114.4°	109.5°
N3	C2	H022	114.4°	109.5°
N3	C6	C7	115.3°	109.5°
N3	C6	H061	110.1°	109.4°
N3	C6	H062	110.1°	109.5°
C1	C2	H021	114.4°	109.4°
C1	C2	H022	114.4°	109.4°
C2	C1	O18	122.5°	120.0°
C2	C1	O17	120.2°	120.0°
H021	C2	H022	96.1°	109.5°
O18	C1	O17	117.3°	120.0°
C1	O17	H17	120.2°	120.0°
C7	C6	H061	110.1°	109.5°
C7	C6	H062	110.1°	109.5°
C6	C7	N8	114.2°	109.5°
C6	C7	H071	110.5°	109.5°
C6	C7	H072	110.5°	109.4°
H061	C6	H062	100.1°	109.5°
N8	C7	H071	110.5°	109.5°
N8	C7	H072	110.5°	109.5°
C7	N8	C9	123.3°	106.7°
C7	N8	C11	116.7°	106.7°
H071	C7	H072	99.8°	109.4°
C9	N8	C11	117.5°	106.7°
N8	C9	C10	101.3°	109.5°
N8	C9	H091	115.3°	109.5°
N8	C9	H092	115.4°	109.5°
N8	C11	C12	116.4°	109.4°
N8	C11	H111	109.7°	109.5°
N8	C11	H112	109.7°	109.5°
C10	C9	H091	115.3°	109.5°
C10	C9	H092	115.3°	109.5°
C9	C10	O16	117.5°	120.0°
C9	C10	O15	124.6°	120.0°
H091	C9	H092	95.1°	109.5°
O16	C10	O15	117.9°	120.0°
C10	O16	H16	117.6°	120.0°
C12	C11	H111	109.7°	109.5°
C12	C11	H112	109.7°	109.5°
C11	C12	O13	120.7°	120.0°
C11	C12	O14	120.0°	120.0°
H111	C11	H112	100.4°	109.5°
O13	C12	O14	119.2°	120.0°
C12	O14	H14	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O20	C5	O19	C4	175.1°	180.0°
O20	C5	C4	N3	178.0°	180.0°
O20	C5	C4	H041	56.7°	60.1°
O20	C5	C4	H042	52.8°	60.0°
H20	O20	C5	O19	180.0°	0.0°
H20	O20	C5	C4	4.6°	180.0°
O19	C5	C4	N3	2.9°	0.0°
O19	C5	C4	H041	128.2°	119.9°
O19	C5	C4	H042	122.3°	120.0°
C5	C4	N3	H041	125.2°	120.0°
C5	C4	N3	H042	125.2°	120.0°
C5	C4	H041	H042	119.5°	120.0°
C5	C4	N3	C2	100.6°	66.2°
C5	C4	N3	C6	80.1°	180.0°
N3	C4	H041	H042	119.5°	120.0°
C4	N3	C2	C6	179.2°	113.8°
C4	N3	C2	C1	86.2°	163.2°
C4	N3	C2	H021	148.5°	76.8°
C4	N3	C2	H022	39.0°	43.3°
C4	N3	C6	C7	153.5°	67.6°
C4	N3	C6	H061	81.2°	52.4°
C4	N3	C6	H062	28.3°	172.3°
H041	C4	N3	C2	24.6°	173.8°
H041	C4	N3	C6	154.7°	60.0°
H042	C4	N3	C2	134.1°	53.8°
H042	C4	N3	C6	45.2°	60.0°
N3	C2	C1	H021	125.2°	120.0°
N3	C2	C1	H022	125.2°	120.0°
N3	C2	H021	H022	120.3°	120.1°
N3	C2	C1	O18	161.6°	2.0°
N3	C2	C1	O17	18.2°	178.0°
C2	N3	C6	C7	27.2°	178.6°
C2	N3	C6	H061	98.1°	61.4°
C2	N3	C6	H062	152.5°	58.6°
C6	N3	C2	C1	93.0°	83.0°
C6	N3	C2	H021	32.2°	37.0°
C6	N3	C2	H022	141.7°	157.0°
N3	C6	C7	H061	125.3°	120.0°
N3	C6	C7	H062	125.3°	120.0°
N3	C6	H061	H062	115.9°	119.9°
N3	C6	C7	N8	91.8°	174.1°
N3	C6	C7	H071	33.5°	54.0°
N3	C6	C7	H072	143.0°	65.9°
C1	C2	H021	H022	120.4°	119.9°
C2	C1	O18	O17	179.8°	180.0°
C2	C1	O17	H17	180.0°	179.9°
H021	C2	C1	O18	36.4°	122.0°
H021	C2	C1	O17	143.4°	58.0°
H022	C2	C1	O18	73.1°	118.1°
H022	C2	C1	O17	107.1°	62.0°
O18	C1	O17	H17	0.1°	0.0°
C7	C6	H061	H062	115.9°	120.0°
C6	C7	N8	H071	125.3°	120.1°
C6	C7	N8	H072	125.2°	120.0°
C6	C7	H071	H072	116.3°	120.0°
C6	C7	N8	C9	35.8°	180.0°
C6	C7	N8	C11	162.4°	66.2°
H061	C6	C7	N8	142.9°	66.0°
H061	C6	C7	H071	91.9°	174.0°
H061	C6	C7	H072	17.6°	54.0°
H062	C6	C7	N8	33.5°	54.1°
H062	C6	C7	H071	158.7°	66.0°
H062	C6	C7	H072	91.8°	174.1°
N8	C7	H071	H072	116.3°	120.0°
C7	N8	C9	C11	161.7°	113.7°
C7	N8	C9	C10	79.2°	76.2°
C7	N8	C9	H091	46.0°	43.8°
C7	N8	C9	H092	155.6°	163.8°
C7	N8	C11	C12	60.8°	163.9°
C7	N8	C11	H111	64.5°	76.1°
C7	N8	C11	H112	173.9°	44.0°
H071	C7	N8	C9	161.1°	60.0°
H071	C7	N8	C11	37.1°	173.7°
H072	C7	N8	C9	89.4°	60.0°
H072	C7	N8	C11	72.4°	53.7°
N8	C9	C10	H091	125.3°	120.0°
N8	C9	C10	H092	125.3°	120.0°
N8	C9	H091	H092	121.2°	120.0°
N8	C9	C10	O16	161.9°	175.5°
N8	C9	C10	O15	18.8°	4.5°
C9	N8	C11	C12	136.3°	82.4°
C9	N8	C11	H111	98.4°	37.6°
C9	N8	C11	H112	11.0°	157.7°
C11	N8	C9	C10	82.5°	170.1°
C11	N8	C9	H091	152.3°	69.9°
C11	N8	C9	H092	42.8°	50.1°
N8	C11	C12	H111	125.3°	120.0°
N8	C11	C12	H112	125.3°	120.0°
N8	C11	H111	H112	115.5°	120.0°
N8	C11	C12	O13	160.4°	0.0°
N8	C11	C12	O14	23.2°	180.0°
C10	C9	H091	H092	121.1°	120.0°
C9	C10	O16	O15	179.3°	180.0°
C9	C10	O16	H16	180.0°	180.0°
H091	C9	C10	O16	36.7°	64.5°
H091	C9	C10	O15	144.1°	115.5°
H092	C9	C10	O16	72.8°	55.5°
H092	C9	C10	O15	106.5°	124.5°
O15	C10	O16	H16	0.7°	0.0°
C12	C11	H111	H112	115.5°	120.0°
C11	C12	O13	O14	176.5°	180.0°
C11	C12	O14	H14	180.0°	180.0°
H111	C11	C12	O13	35.1°	120.0°
H111	C11	C12	O14	148.5°	60.0°
H112	C11	C12	O13	74.4°	120.0°
H112	C11	C12	O14	102.1°	60.1°
O13	C12	O14	H14	3.5°	0.0°

Definition date:	2003-01-16
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1NNF