9NT

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N4	C7	sing	1.47Å	1.50Å
N4	C3	sing	1.47Å	1.49Å
C7	C8	sing	1.51Å	1.52Å
C8	O9	doub	1.21Å	1.23Å
C8	N10	sing	1.35Å	1.34Å
N10	C11	sing	1.40Å	1.42Å
C11	C16	doub	1.39Å	1.39Å	Aromatic
C11	C12	sing	1.39Å	1.39Å	Aromatic
C16	C15	sing	1.38Å	1.38Å	Aromatic
C12	C13	doub	1.38Å	1.37Å	Aromatic
C15	C14	doub	1.39Å	1.38Å	Aromatic
C13	C14	sing	1.39Å	1.38Å	Aromatic
C13	O17	sing	1.36Å	1.38Å
C14	O19	sing	1.37Å	1.36Å
O17	C18	sing	1.44Å	1.40Å
O19	C18	sing	1.44Å	1.44Å
C3	H3	sing	1.09Å	1.10Å
C3	H1	sing	1.09Å	1.10Å
C7	H7A	sing	1.09Å	1.10Å
C7	H7	sing	1.09Å	1.10Å
N10	HN10	sing	0.97Å	1.00Å
C12	H12	sing	1.08Å	1.08Å
C15	H4	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
C18	H18A	sing	1.09Å	1.10Å
C18	H18	sing	1.09Å	1.10Å
C3	C1	sing	1.53Å	36.96Å
C1	C2	sing	1.53Å	0.00Å
C2	C4	sing	1.53Å	0.00Å
C4	C6	sing	1.53Å	0.00Å
N4	C6	sing	1.47Å	38.06Å
C1	H2	sing	1.09Å	0.00Å
C1	H5	sing	1.09Å	0.00Å
C2	H6	sing	1.09Å	0.00Å
C2	H8	sing	1.09Å	0.00Å
C4	H9	sing	1.09Å	0.00Å
C4	H10	sing	1.09Å	0.00Å
C6	H11	sing	1.09Å	0.00Å
C6	H13	sing	1.09Å	0.00Å
N4	HN4	sing	1.01Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	N4	C3	111.7°	109.4°
N4	C7	C8	108.6°	109.5°
N4	C7	H7A	109.7°	109.5°
N4	C7	H7	109.7°	109.4°
C7	N4	C6	128.5°	109.4°
C7	N4	HN4	123.6°	109.4°
N4	C3	H3	102.3°	109.4°
N4	C3	H1	102.4°	109.4°
N4	C3	C1	136.5°	109.6°
C3	N4	C6	41.9°	109.8°
C3	N4	HN4	123.8°	109.4°
C7	C8	O9	121.2°	120.0°
C7	C8	N10	114.3°	120.0°
C8	C7	H7A	109.7°	109.5°
C8	C7	H7	109.7°	109.5°
O9	C8	N10	124.5°	120.0°
C8	N10	C11	127.4°	120.0°
C8	N10	HN10	116.3°	120.0°
N10	C11	C16	117.6°	120.0°
N10	C11	C12	122.0°	120.0°
C11	N10	HN10	116.3°	120.0°
C16	C11	C12	120.4°	120.0°
C11	C16	C15	120.8°	120.1°
C11	C16	H16	119.6°	119.9°
C11	C12	C13	118.2°	119.9°
C11	C12	H12	120.9°	120.0°
C16	C15	C14	117.9°	120.1°
C16	C15	H4	121.0°	119.9°
C15	C16	H16	119.5°	120.0°
C12	C13	C14	121.1°	119.9°
C12	C13	O17	128.5°	131.4°
C13	C12	H12	120.9°	120.1°
C15	C14	C13	121.5°	119.9°
C15	C14	O19	128.5°	131.4°
C14	C15	H4	121.1°	120.0°
C14	C13	O17	110.4°	108.6°
C13	C14	O19	109.8°	108.6°
C13	O17	C18	105.2°	105.5°
C14	O19	C18	105.3°	105.5°
O17	C18	O19	109.2°	103.7°
O17	C18	H18A	109.6°	110.6°
O17	C18	H18	109.5°	110.5°
O19	C18	H18A	109.5°	110.6°
O19	C18	H18	109.5°	110.7°
H3	C3	H1	109.5°	109.5°
H3	C3	C1	102.3°	109.5°
H1	C3	C1	102.3°	109.4°
H7A	C7	H7	109.5°	109.5°
H18A	C18	H18	109.5°	110.5°
C3	C1	C2	90.0°	109.3°
C3	C1	H2	90.0°	109.5°
C3	C1	H5	90.0°	109.5°
C1	C2	C4	90.0°	109.1°
C2	C1	H2	90.0°	109.5°
C2	C1	H5	90.0°	109.6°
C1	C2	H6	90.0°	109.5°
C1	C2	H8	90.0°	109.5°
C2	C4	C6	90.0°	109.3°
C4	C2	H6	90.0°	109.5°
C4	C2	H8	90.0°	109.5°
C2	C4	H9	90.0°	109.5°
C2	C4	H10	90.0°	109.5°
C4	C6	N4	90.0°	109.7°
C6	C4	H9	90.0°	109.5°
C6	C4	H10	90.0°	109.5°
C4	C6	H11	90.0°	109.5°
C4	C6	H13	90.0°	109.4°
N4	C6	H11	90.0°	109.4°
N4	C6	H13	90.0°	109.4°
C6	N4	HN4	91.3°	109.4°
H2	C1	H5	90.0°	109.5°
H6	C2	H8	90.0°	109.6°
H9	C4	H10	90.0°	109.6°
H11	C6	H13	90.0°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	N4	C3	C6	124.0°	120.1°
C7	N4	C3	HN4	169.2°	119.8°
N4	C7	C8	H7A	119.8°	120.0°
N4	C7	C8	H7	119.9°	120.0°
N4	C7	C8	O9	15.6°	0.0°
N4	C7	C8	N10	164.3°	180.0°
C7	N4	C3	H3	112.7°	56.7°
C7	N4	C3	H1	0.7°	63.3°
N4	C7	H7A	H7	120.4°	120.0°
C7	N4	C3	C1	124.0°	176.8°
C7	N4	C6	C4	90.0°	176.7°
C7	N4	C6	HN4	136.5°	119.9°
C7	N4	C6	H11	90.0°	63.2°
C7	N4	C6	H13	90.0°	56.7°
C3	N4	C7	C8	76.2°	175.0°
N4	C3	H3	H1	108.1°	119.9°
N4	C3	H3	C1	143.9°	120.1°
N4	C3	H1	C1	143.9°	120.1°
C3	N4	C7	H7A	43.7°	65.0°
C3	N4	C7	H7	164.0°	55.0°
N4	C3	C1	C2	90.0°	59.9°
C3	N4	C6	C4	90.0°	63.1°
C3	N4	C6	HN4	143.8°	120.0°
N4	C3	C1	H2	90.0°	60.0°
N4	C3	C1	H5	90.0°	179.9°
C3	N4	C6	H11	90.0°	57.0°
C3	N4	C6	H13	90.0°	176.8°
C7	C8	O9	N10	179.9°	179.9°
C7	C8	N10	C11	178.2°	174.7°
C8	C7	H7A	H7	120.4°	120.0°
C7	C8	N10	HN10	1.8°	5.3°
C8	C7	N4	C6	31.1°	64.7°
C8	C7	N4	HN4	93.1°	55.2°
O9	C8	N10	C11	1.9°	5.2°
O9	C8	C7	H7A	135.5°	120.0°
O9	C8	C7	H7	104.3°	119.9°
O9	C8	N10	HN10	178.1°	174.7°
C8	N10	C11	HN10	180.0°	179.9°
C8	N10	C11	C16	169.9°	33.4°
C8	N10	C11	C12	9.9°	146.9°
N10	C8	C7	H7A	44.4°	60.0°
N10	C8	C7	H7	75.8°	60.0°
N10	C11	C16	C12	179.8°	179.7°
N10	C11	C16	C15	179.9°	179.8°
N10	C11	C12	C13	177.3°	180.0°
N10	C11	C12	H12	2.7°	0.1°
N10	C11	C16	H16	0.1°	0.1°
C11	C16	C15	H16	180.0°	179.7°
C16	C11	C12	C13	2.5°	0.3°
C11	C16	C15	C14	1.9°	0.5°
C16	C11	N10	HN10	10.2°	146.6°
C16	C11	C12	H12	177.5°	179.7°
C11	C16	C15	H4	178.1°	179.7°
C12	C11	C16	C15	0.3°	0.6°
C11	C12	C13	H12	180.0°	180.0°
C11	C12	C13	C14	3.6°	0.1°
C11	C12	C13	O17	173.8°	180.0°
C12	C11	N10	HN10	170.1°	33.0°
C12	C11	C16	H16	179.7°	179.7°
C16	C15	C14	H4	180.0°	179.7°
C16	C15	C14	C13	0.7°	0.3°
C16	C15	C14	O19	174.6°	179.8°
C12	C13	C14	C15	2.1°	0.0°
C12	C13	C14	O17	177.9°	179.9°
C12	C13	C14	O19	178.2°	180.0°
C12	C13	O17	C18	176.6°	162.7°
C15	C14	C13	O19	176.1°	180.0°
C15	C14	C13	O17	175.8°	180.0°
C15	C14	O19	C18	174.3°	162.7°
C14	C15	C16	H16	178.1°	179.7°
C14	C13	O17	C18	1.1°	17.3°
C13	C14	O19	C18	1.5°	17.3°
C14	C13	C12	H12	176.4°	180.0°
C13	C14	C15	H4	179.3°	180.0°
O17	C13	C14	O19	0.3°	0.1°
C13	O17	C18	O19	2.0°	27.1°
O17	C13	C12	H12	6.2°	0.0°
C13	O17	C18	H18A	121.9°	145.7°
C13	O17	C18	H18	118.0°	91.6°
C14	O19	C18	O17	2.2°	27.1°
O19	C14	C15	H4	5.4°	0.0°
C14	O19	C18	H18A	122.2°	145.7°
C14	O19	C18	H18	117.8°	91.4°
O17	C18	O19	H18A	120.0°	118.6°
O17	C18	O19	H18	120.0°	118.6°
O17	C18	H18A	H18	120.1°	122.7°
O19	C18	H18A	H18	120.1°	123.0°
H3	C3	H1	C1	108.0°	120.0°
H3	C3	C1	C2	90.0°	180.0°
H3	C3	N4	C6	123.3°	176.8°
H3	C3	C1	H2	90.0°	60.0°
H3	C3	C1	H5	90.0°	60.0°
H3	C3	N4	HN4	78.0°	63.2°
H1	C3	C1	C2	90.0°	60.0°
H1	C3	N4	C6	123.3°	56.8°
H1	C3	C1	H2	90.0°	180.0°
H1	C3	C1	H5	90.0°	60.0°
H1	C3	N4	HN4	168.5°	176.9°
H7A	C7	N4	C6	88.7°	55.3°
H7A	C7	N4	HN4	147.1°	175.2°
H7	C7	N4	C6	151.0°	175.4°
H7	C7	N4	HN4	26.8°	64.8°
H4	C15	C16	H16	1.9°	0.0°
C3	C1	C2	H2	90.0°	119.9°
C3	C1	C2	H5	90.0°	119.9°
C3	C1	C2	C4	90.0°	56.9°
C1	C3	N4	C6	0.0°	63.1°
C3	C1	H2	H5	90.0°	120.0°
C3	C1	C2	H6	90.0°	176.8°
C3	C1	C2	H8	90.0°	63.0°
C1	C3	N4	HN4	45.2°	56.9°
C1	C2	C4	H6	90.0°	119.9°
C1	C2	C4	H8	90.0°	119.9°
C1	C2	C4	C6	90.0°	56.9°
C2	C1	H2	H5	90.0°	120.2°
C1	C2	H6	H8	90.0°	120.2°
C1	C2	C4	H9	90.0°	63.0°
C1	C2	C4	H10	90.0°	176.9°
C2	C4	C6	H9	90.0°	119.9°
C2	C4	C6	H10	90.0°	120.0°
C2	C4	C6	N4	90.0°	59.9°
C4	C2	C1	H2	90.0°	63.0°
C4	C2	C1	H5	90.0°	176.8°
C4	C2	H6	H8	90.0°	120.2°
C2	C4	H9	H10	90.0°	120.1°
C2	C4	C6	H11	90.0°	60.1°
C2	C4	C6	H13	90.0°	180.0°
C4	C6	N4	H11	90.0°	120.1°
C4	C6	N4	H13	90.0°	120.0°
C6	C4	C2	H6	90.0°	176.8°
C6	C4	C2	H8	90.0°	63.0°
C6	C4	H9	H10	90.0°	120.1°
C4	C6	H11	H13	90.0°	119.9°
C4	C6	N4	HN4	90.0°	56.9°
N4	C6	C4	H9	90.0°	59.9°
N4	C6	C4	H10	90.0°	179.9°
N4	C6	H11	H13	90.0°	119.9°
H2	C1	C2	H6	90.0°	56.9°
H2	C1	C2	H8	90.0°	177.1°
H5	C1	C2	H6	90.0°	63.2°
H5	C1	C2	H8	90.0°	57.0°
H6	C2	C4	H9	90.0°	56.9°
H6	C2	C4	H10	90.0°	63.2°
H8	C2	C4	H9	90.0°	177.1°
H8	C2	C4	H10	90.0°	57.0°
H9	C4	C6	H11	90.0°	180.0°
H9	C4	C6	H13	90.0°	60.1°
H10	C4	C6	H11	90.0°	59.9°
H10	C4	C6	H13	90.0°	60.1°
H11	C6	N4	HN4	90.0°	177.0°
H13	C6	N4	HN4	90.0°	63.1°

Release date:	2018-02-14
Definition date:	2017-06-13
Last modified:	2018-02-09
Release status:	REL
Processing site:	EBI
Derived from:	5N1E