5NT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C5	sing	1.43Å	1.42Å
C5	C4	sing	1.53Å	1.52Å
C4	C6	sing	1.55Å	1.52Å
C4	N2	sing	1.49Å	1.48Å
C6	C7	sing	1.55Å	1.52Å
N2	C3	sing	1.48Å	1.47Å
C7	O1	sing	1.43Å	1.43Å
C7	C3	sing	1.54Å	1.55Å
C3	C2	sing	1.51Å	1.51Å
C8	C2	doub	1.35Å	1.37Å	Aromatic
C8	N3	sing	1.36Å	1.37Å	Aromatic
C2	C1	sing	1.41Å	1.43Å	Aromatic
N3	C9	sing	1.38Å	1.38Å	Aromatic
C1	C9	doub	1.40Å	1.38Å	Aromatic
C1	N1	sing	1.35Å	1.38Å
C9	C10	sing	1.41Å	1.42Å
N1	C	doub	1.31Å	1.33Å
C10	O2	doub	1.22Å	1.23Å
C10	N4	sing	1.35Å	1.38Å
C	N4	sing	1.36Å	1.37Å
C	N	sing	1.37Å	1.34Å
N4	H1	sing	0.97Å	1.00Å
N	H2	sing	0.97Å	1.00Å
N	H3	sing	0.97Å	1.00Å
N3	H4	sing	0.97Å	1.00Å
C8	H5	sing	1.08Å	1.08Å
C3	H6	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
O1	H8	sing	0.97Å	0.95Å
C6	H9	sing	1.09Å	1.10Å
C6	H10	sing	1.09Å	1.10Å
C4	H11	sing	1.09Å	1.10Å
N2	H12	sing	1.01Å	1.00Å
C5	H14	sing	1.09Å	1.10Å
C5	H15	sing	1.09Å	1.10Å
O	H16	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C5	C4	111.6°	109.5°
O	C5	H14	108.9°	109.4°
O	C5	H15	108.9°	109.5°
C5	O	H16	109.5°	114.1°
C5	C4	C6	113.2°	110.6°
C5	C4	N2	113.0°	110.7°
C5	C4	H11	109.7°	110.8°
C4	C5	H14	108.9°	109.5°
C4	C5	H15	108.9°	109.5°
C6	C4	N2	100.7°	103.4°
C4	C6	C7	102.8°	102.9°
C4	C6	H9	111.1°	110.7°
C4	C6	H10	111.1°	110.9°
C6	C4	H11	109.6°	110.6°
C4	N2	C3	109.4°	105.7°
N2	C4	H11	110.3°	110.5°
C4	N2	H12	109.5°	111.0°
C6	C7	O1	107.4°	110.3°
C6	C7	C3	103.0°	105.1°
C6	C7	H7	112.1°	110.4°
C7	C6	H9	111.1°	110.7°
C7	C6	H10	111.1°	110.7°
N2	C3	C7	105.0°	107.2°
N2	C3	C2	110.8°	109.9°
N2	C3	H6	108.7°	109.9°
C3	N2	H12	109.5°	111.3°
O1	C7	C3	108.4°	110.3°
O1	C7	H7	113.6°	110.3°
C7	O1	H8	109.5°	114.0°
C7	C3	C2	116.3°	109.9°
C7	C3	H6	107.6°	109.9°
C3	C7	H7	111.7°	110.3°
C3	C2	C8	126.8°	126.0°
C3	C2	C1	127.2°	126.1°
C2	C3	H6	108.2°	109.9°
C2	C8	N3	108.9°	109.5°
C8	C2	C1	105.6°	107.9°
C2	C8	H5	125.6°	125.2°
C8	N3	C9	110.4°	108.8°
C8	N3	H4	124.8°	125.6°
N3	C8	H5	125.5°	125.3°
C2	C1	C9	108.9°	106.6°
C2	C1	N1	127.4°	133.9°
N3	C9	C1	106.1°	107.2°
N3	C9	C10	132.5°	134.1°
C9	N3	H4	124.8°	125.6°
C9	C1	N1	123.7°	119.5°
C1	C9	C10	121.4°	118.7°
C1	N1	C	114.9°	121.0°
C9	C10	O2	128.3°	120.7°
C9	C10	N4	111.7°	118.5°
N1	C	N4	123.2°	121.8°
N1	C	N	119.6°	119.1°
O2	C10	N4	120.0°	120.8°
C10	N4	C	125.1°	120.5°
C10	N4	H1	117.5°	119.7°
N4	C	N	117.2°	119.1°
C	N4	H1	117.5°	119.8°
C	N	H2	120.0°	120.0°
C	N	H3	120.0°	120.0°
H2	N	H3	120.0°	120.0°
H9	C6	H10	109.5°	110.6°
H14	C5	H15	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C5	C4	H14	120.3°	119.9°
O	C5	C4	H15	120.3°	120.0°
O	C5	C4	C6	52.6°	175.0°
O	C5	C4	N2	61.1°	71.0°
O	C5	C4	H11	175.4°	51.9°
O	C5	H14	H15	119.0°	119.9°
C5	C4	C6	N2	120.9°	118.5°
C5	C4	C6	H11	122.9°	123.2°
C5	C4	N2	H11	123.2°	123.1°
C5	C4	C6	C7	164.3°	155.8°
C5	C4	N2	C3	154.8°	157.5°
C5	C4	C6	H9	45.4°	85.8°
C5	C4	C6	H10	76.8°	37.4°
C5	C4	N2	H12	85.2°	81.7°
C4	C5	H14	H15	119.0°	120.1°
C4	C5	O	H16	180.0°	180.0°
C6	C4	N2	H11	115.7°	118.4°
C4	C6	C7	H9	118.9°	118.4°
C4	C6	C7	H10	118.9°	118.5°
C6	C4	N2	C3	33.8°	39.0°
C4	C6	C7	O1	77.1°	97.0°
C4	C6	C7	C3	37.2°	22.0°
C4	C6	C7	H7	157.4°	140.9°
C4	C6	H9	H10	123.1°	123.4°
C6	C4	N2	H12	153.8°	159.8°
C6	C4	C5	H14	67.7°	55.1°
C6	C4	C5	H15	172.9°	65.0°
N2	C4	C6	C7	43.4°	37.3°
C4	N2	C3	H12	120.0°	120.6°
C4	N2	C3	C7	10.9°	25.1°
C4	N2	C3	C2	137.2°	144.5°
C4	N2	C3	H6	104.1°	94.4°
N2	C4	C6	H9	75.6°	155.7°
N2	C4	C6	H10	162.3°	81.1°
N2	C4	C5	H14	178.6°	169.0°
N2	C4	C5	H15	59.3°	49.0°
C6	C7	C3	N2	16.7°	1.1°
C6	C7	O1	C3	110.7°	115.7°
C6	C7	O1	H7	124.5°	122.2°
C6	C7	C3	H7	120.5°	119.0°
C6	C7	C3	C2	106.1°	120.6°
C6	C7	C3	H6	132.4°	118.3°
C6	C7	O1	H8	180.0°	64.2°
C7	C6	H9	H10	123.1°	123.1°
C7	C6	C4	H11	72.9°	81.0°
N2	C3	C7	O1	96.9°	120.1°
N2	C3	C7	C2	122.8°	119.5°
N2	C3	C7	H6	115.7°	119.5°
N2	C3	C2	H6	119.0°	121.1°
N2	C3	C2	C8	22.1°	23.2°
N2	C3	C2	C1	150.0°	156.8°
N2	C3	C7	H7	137.2°	117.9°
C3	N2	C4	H11	82.0°	79.4°
O1	C7	C3	H7	125.9°	122.0°
O1	C7	C3	C2	140.2°	120.5°
O1	C7	C3	H6	18.8°	0.6°
O1	C7	C6	H9	163.9°	21.4°
O1	C7	C6	H10	41.7°	144.5°
C7	C3	C2	H6	121.2°	121.1°
C7	C3	C2	C8	97.7°	94.6°
C7	C3	C2	C1	90.2°	85.4°
C3	C7	O1	H8	69.3°	179.9°
C3	C7	C6	H9	81.7°	140.3°
C3	C7	C6	H10	156.1°	96.6°
C7	C3	N2	H12	130.8°	145.7°
C3	C2	C8	C1	173.5°	180.0°
C3	C2	C8	N3	171.8°	180.0°
C3	C2	C1	C9	171.3°	180.0°
C3	C2	C1	N1	8.6°	0.0°
C3	C2	C8	H5	8.2°	0.0°
C2	C3	C7	H7	14.4°	1.6°
C2	C3	N2	H12	102.9°	94.8°
C2	C8	N3	H5	180.0°	180.0°
C2	C8	N3	C9	0.7°	0.0°
C8	C2	C1	C9	2.1°	0.0°
C8	C2	C1	N1	177.9°	180.0°
C2	C8	N3	H4	179.4°	180.0°
C8	C2	C3	H6	141.1°	144.3°
N3	C8	C2	C1	1.7°	0.0°
C8	N3	C9	H4	180.0°	180.0°
C8	N3	C9	C1	0.7°	0.0°
C8	N3	C9	C10	179.1°	180.0°
C2	C1	C9	N3	1.7°	0.0°
C2	C1	C9	N1	180.0°	180.0°
C2	C1	C9	C10	178.1°	180.0°
C2	C1	N1	C	179.5°	179.7°
C1	C2	C8	H5	178.4°	180.0°
C1	C2	C3	H6	30.9°	35.7°
N3	C9	C1	C10	179.8°	179.9°
N3	C9	C1	N1	178.3°	180.0°
N3	C9	C10	O2	5.0°	0.1°
N3	C9	C10	N4	178.2°	179.7°
C9	N3	C8	H5	179.3°	180.0°
C9	C1	N1	C	0.4°	0.3°
C1	C9	C10	O2	174.7°	180.0°
C1	C9	C10	N4	2.1°	0.2°
C1	C9	N3	H4	179.3°	180.0°
N1	C1	C9	C10	1.8°	0.0°
C1	N1	C	N4	0.6°	0.3°
C1	N1	C	N	178.8°	179.7°
C9	C10	O2	N4	176.6°	179.8°
C9	C10	N4	C	1.1°	0.2°
C9	C10	N4	H1	178.9°	179.7°
C10	C9	N3	H4	0.9°	0.0°
N1	C	N4	C10	0.1°	0.1°
N1	C	N4	N	178.3°	180.0°
N1	C	N4	H1	179.8°	180.0°
N1	C	N	H2	0.0°	180.0°
N1	C	N	H3	180.0°	0.0°
O2	C10	N4	C	175.9°	180.0°
O2	C10	N4	H1	4.0°	0.1°
C10	N4	C	H1	180.0°	179.9°
C10	N4	C	N	178.4°	180.0°
N4	C	N	H2	178.3°	0.0°
N4	C	N	H3	1.7°	180.0°
N	C	N4	H1	1.5°	0.0°
C	N	H2	H3	180.0°	180.0°
H4	N3	C8	H5	0.6°	0.0°
H6	C3	C7	H7	107.1°	122.6°
H6	C3	N2	H12	15.9°	26.3°
H7	C7	O1	H8	55.5°	58.0°
H7	C7	C6	H9	38.5°	100.7°
H7	C7	C6	H10	83.7°	22.3°
H9	C6	C4	H11	168.2°	37.4°
H10	C6	C4	H11	46.1°	160.6°
H11	C4	N2	H12	38.0°	41.4°
H11	C4	C5	H14	55.1°	68.0°
H11	C4	C5	H15	64.3°	171.9°
H14	C5	O	H16	59.7°	60.0°
H15	C5	O	H16	59.7°	60.0°

Release date:	2016-11-09
Definition date:	2015-10-28
Last modified:	2016-11-04
Release status:	REL
Processing site:	EBI
Derived from:	5EGR