C7N

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	N16	sing	1.47Å	1.52Å
C3	C4	doub	1.32Å	1.43Å
C3	C2	sing	1.46Å	1.48Å
C4	C5	sing	1.46Å	1.51Å
C15	N16	sing	1.47Å	1.43Å
C15	C14	sing	1.53Å	1.55Å
C1	C2	sing	1.40Å	1.43Å	Aromatic
C1	C23	doub	1.38Å	1.39Å	Aromatic
C2	C20	doub	1.41Å	1.44Å	Aromatic
N16	C18	sing	1.47Å	1.43Å
C18	C19	sing	1.53Å	1.53Å
C23	C22	sing	1.39Å	1.41Å	Aromatic
C14	C13	sing	1.52Å	1.58Å
C5	C6	sing	1.40Å	1.44Å	Aromatic
C5	C11	doub	1.41Å	1.44Å	Aromatic
C20	C12	sing	1.48Å	1.52Å
C20	C21	sing	1.39Å	1.43Å	Aromatic
C13	C12	doub	1.34Å	1.39Å
C13	C19	sing	1.51Å	1.55Å
C12	C11	sing	1.48Å	1.55Å
C6	C7	doub	1.38Å	1.41Å	Aromatic
C22	C21	doub	1.38Å	1.38Å	Aromatic
C11	C10	sing	1.39Å	1.45Å	Aromatic
C7	O8	sing	1.36Å	1.38Å
C7	C9	sing	1.39Å	1.43Å	Aromatic
C10	C9	doub	1.38Å	1.39Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C3	H2	sing	1.08Å	1.08Å
C4	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
C9	H5	sing	1.08Å	1.08Å
C10	H6	sing	1.08Å	1.08Å
C14	H7	sing	1.09Å	1.10Å
C14	H8	sing	1.09Å	1.10Å
C15	H9	sing	1.09Å	1.10Å
C15	H10	sing	1.09Å	1.10Å
C17	H11	sing	1.09Å	1.10Å
C17	H12	sing	1.09Å	1.10Å
C17	H13	sing	1.09Å	1.10Å
C18	H14	sing	1.09Å	1.10Å
C18	H15	sing	1.09Å	1.10Å
C19	H16	sing	1.09Å	1.10Å
C19	H17	sing	1.09Å	1.10Å
C21	H18	sing	1.08Å	1.08Å
C22	H19	sing	1.08Å	1.08Å
C23	H20	sing	1.08Å	1.08Å
O8	H22	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C17	N16	C15	108.0°	111.0°
C17	N16	C18	105.9°	111.1°
N16	C17	H11	109.5°	109.5°
N16	C17	H12	109.5°	109.5°
N16	C17	H13	109.5°	109.5°
C4	C3	C2	130.3°	127.6°
C3	C4	C5	129.1°	127.5°
C4	C3	H2	114.8°	116.2°
C3	C4	H3	115.5°	116.2°
C3	C2	C1	122.6°	119.6°
C3	C2	C20	119.7°	121.3°
C2	C3	H2	114.8°	116.2°
C4	C5	C6	121.1°	119.6°
C4	C5	C11	122.1°	121.3°
C5	C4	H3	115.5°	116.3°
N16	C15	C14	112.6°	109.4°
C15	N16	C18	114.6°	111.7°
N16	C15	H9	108.7°	109.5°
N16	C15	H10	108.7°	109.5°
C15	C14	C13	110.5°	108.2°
C15	C14	H7	109.2°	109.7°
C15	C14	H8	109.2°	109.7°
C14	C15	H9	108.7°	109.5°
C14	C15	H10	108.7°	109.4°
C2	C1	C23	124.7°	120.1°
C1	C2	C20	117.7°	119.0°
C2	C1	H1	117.7°	120.0°
C1	C23	C22	118.0°	120.6°
C23	C1	H1	117.7°	119.9°
C1	C23	H20	121.0°	119.8°
C2	C20	C12	121.1°	120.0°
C2	C20	C21	115.1°	120.0°
N16	C18	C19	110.8°	109.4°
N16	C18	H14	109.1°	109.6°
N16	C18	H15	109.1°	109.5°
C18	C19	C13	112.5°	108.3°
C19	C18	H14	109.1°	109.5°
C19	C18	H15	109.1°	109.5°
C18	C19	H16	108.7°	109.7°
C18	C19	H17	108.7°	109.7°
C23	C22	C21	118.2°	120.3°
C23	C22	H19	120.9°	119.8°
C22	C23	H20	121.0°	119.7°
C14	C13	C12	123.4°	121.1°
C14	C13	C19	111.0°	117.8°
C13	C14	H7	109.2°	109.7°
C13	C14	H8	109.2°	109.7°
C6	C5	C11	116.8°	119.0°
C5	C6	C7	126.5°	120.1°
C5	C6	H4	116.8°	119.9°
C5	C11	C12	120.5°	120.0°
C5	C11	C10	114.9°	120.1°
C12	C20	C21	123.8°	120.0°
C20	C12	C13	117.6°	120.8°
C20	C12	C11	122.9°	118.3°
C20	C21	C22	126.2°	120.0°
C20	C21	H18	116.9°	120.1°
C12	C13	C19	123.8°	121.2°
C13	C12	C11	119.4°	120.9°
C13	C19	H16	108.7°	109.7°
C13	C19	H17	108.7°	109.7°
C12	C11	C10	124.6°	119.9°
C6	C7	O8	125.2°	119.8°
C6	C7	C9	116.6°	120.4°
C7	C6	H4	116.8°	120.0°
C22	C21	H18	116.9°	120.0°
C21	C22	H19	120.9°	119.9°
C11	C10	C9	127.5°	120.1°
C11	C10	H6	116.2°	120.0°
O8	C7	C9	118.2°	119.8°
C7	O8	H22	109.5°	114.1°
C7	C9	C10	117.7°	120.2°
C7	C9	H5	121.1°	119.9°
C10	C9	H5	121.2°	119.9°
C9	C10	H6	116.2°	120.0°
H7	C14	H8	109.5°	109.7°
H9	C15	H10	109.5°	109.5°
H11	C17	H12	109.5°	109.4°
H11	C17	H13	109.5°	109.5°
H12	C17	H13	109.4°	109.4°
H14	C18	H15	109.5°	109.5°
H16	C19	H17	109.5°	109.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C17	N16	C15	C18	117.7°	124.6°
C17	N16	C15	C14	176.5°	170.2°
C17	N16	C18	C19	178.4°	170.3°
C17	N16	C15	H9	63.0°	69.8°
C17	N16	C15	H10	56.0°	50.3°
N16	C17	H11	H12	120.0°	120.1°
N16	C17	H11	H13	120.0°	120.0°
N16	C17	H12	H13	120.0°	120.0°
C17	N16	C18	H14	58.2°	50.3°
C17	N16	C18	H15	61.5°	69.8°
C4	C3	C2	H2	180.0°	180.0°
C3	C4	C5	H3	180.0°	180.0°
C4	C3	C2	C1	140.0°	140.9°
C4	C3	C2	C20	40.2°	40.8°
C3	C4	C5	C6	157.3°	139.7°
C3	C4	C5	C11	23.1°	40.8°
C2	C3	C4	C5	14.2°	0.1°
C3	C2	C1	C20	179.8°	178.2°
C3	C2	C1	C23	179.6°	176.5°
C3	C2	C20	C12	0.2°	5.6°
C3	C2	C20	C21	178.7°	175.5°
C3	C2	C1	H1	0.4°	3.3°
C2	C3	C4	H3	165.8°	179.9°
C4	C5	C6	C11	179.6°	179.5°
C4	C5	C11	C12	0.4°	5.3°
C4	C5	C6	C7	179.8°	177.8°
C4	C5	C11	C10	179.7°	176.6°
C5	C4	C3	H2	165.8°	179.9°
C4	C5	C6	H4	0.2°	2.2°
N16	C15	C14	H9	120.5°	120.0°
N16	C15	C14	H10	120.5°	120.0°
C15	N16	C18	C19	59.5°	65.1°
N16	C15	C14	C13	50.7°	53.8°
N16	C15	C14	H7	69.4°	173.5°
N16	C15	C14	H8	170.9°	65.9°
N16	C15	H9	H10	118.5°	120.1°
C15	N16	C17	H11	180.0°	60.0°
C15	N16	C17	H12	60.0°	180.0°
C15	N16	C17	H13	60.0°	60.0°
C15	N16	C18	H14	60.7°	174.9°
C15	N16	C18	H15	179.6°	54.8°
C14	C15	N16	C18	58.8°	65.2°
C15	C14	C13	H7	120.1°	119.7°
C15	C14	C13	H8	120.1°	119.7°
C15	C14	C13	C12	148.5°	131.0°
C15	C14	C13	C19	46.3°	49.3°
C15	C14	H7	H8	119.6°	120.6°
C14	C15	H9	H10	118.6°	120.0°
C2	C1	C23	H1	180.0°	179.8°
C2	C1	C23	C22	0.1°	0.1°
C1	C2	C20	C12	180.0°	176.1°
C1	C2	C20	C21	1.5°	2.7°
C1	C2	C3	H2	40.1°	39.0°
C2	C1	C23	H20	179.9°	180.0°
C23	C1	C2	C20	0.6°	1.8°
C1	C23	C22	H20	180.0°	180.0°
C1	C23	C22	C21	0.3°	1.0°
C1	C23	C22	H19	179.7°	179.0°
C2	C20	C12	C21	178.4°	178.8°
C2	C20	C12	C13	118.0°	121.7°
C2	C20	C12	C11	58.6°	58.3°
C2	C20	C21	C22	2.0°	1.8°
C20	C2	C1	H1	179.4°	178.4°
C20	C2	C3	H2	139.7°	139.2°
C2	C20	C21	H18	178.0°	178.2°
N16	C18	C19	H14	120.2°	120.1°
N16	C18	C19	H15	120.2°	119.9°
N16	C18	C19	C13	54.1°	53.7°
C18	N16	C15	H9	179.3°	54.8°
C18	N16	C15	H10	61.7°	174.9°
C18	N16	C17	H11	56.8°	175.0°
C18	N16	C17	H12	63.2°	55.0°
C18	N16	C17	H13	176.8°	64.9°
N16	C18	H14	H15	119.4°	120.1°
N16	C18	C19	H16	174.6°	66.0°
N16	C18	C19	H17	66.4°	173.4°
C18	C19	C13	C14	48.8°	49.3°
C18	C19	C13	C12	146.0°	131.0°
C18	C19	C13	H16	120.4°	119.7°
C18	C19	C13	H17	120.5°	119.7°
C19	C18	H14	H15	119.4°	120.0°
C18	C19	H16	H17	118.6°	120.7°
C23	C22	C21	C20	1.4°	0.0°
C23	C22	C21	H19	180.0°	180.0°
C22	C23	C1	H1	179.9°	179.7°
C23	C22	C21	H18	178.6°	179.9°
C14	C13	C12	C20	5.2°	179.7°
C14	C13	C12	C19	163.4°	179.8°
C14	C13	C12	C11	178.1°	0.3°
C13	C14	H7	H8	119.5°	120.6°
C13	C14	C15	H9	171.2°	66.2°
C13	C14	C15	H10	69.8°	173.8°
C14	C13	C19	H16	169.2°	70.4°
C14	C13	C19	H17	71.7°	169.0°
C6	C5	C11	C12	179.2°	175.2°
C5	C6	C7	H4	180.0°	179.9°
C6	C5	C11	C10	0.7°	2.9°
C5	C6	C7	O8	179.8°	179.8°
C5	C6	C7	C9	0.1°	0.3°
C6	C5	C4	H3	22.7°	40.3°
C5	C11	C12	C20	56.0°	58.5°
C5	C11	C12	C13	120.6°	121.4°
C5	C11	C12	C10	179.9°	178.1°
C11	C5	C6	C7	0.2°	1.7°
C5	C11	C10	C9	1.3°	2.1°
C11	C5	C4	H3	156.9°	139.2°
C11	C5	C6	H4	179.9°	178.2°
C5	C11	C10	H6	178.7°	177.9°
C20	C12	C13	C11	176.7°	179.9°
C20	C12	C13	C19	168.6°	0.1°
C12	C20	C21	C22	179.5°	177.0°
C20	C12	C11	C10	124.2°	119.6°
C12	C20	C21	H18	0.5°	2.9°
C21	C20	C12	C13	63.5°	59.5°
C21	C20	C12	C11	119.9°	120.6°
C20	C21	C22	H18	180.0°	180.0°
C20	C21	C22	H19	178.6°	180.0°
C13	C12	C11	C10	59.3°	60.5°
C12	C13	C14	H7	91.4°	11.3°
C12	C13	C14	H8	28.3°	109.3°
C12	C13	C19	H16	25.6°	109.3°
C12	C13	C19	H17	93.5°	11.2°
C19	C13	C12	C11	14.7°	180.0°
C19	C13	C14	H7	73.9°	168.9°
C19	C13	C14	H8	166.4°	70.4°
C13	C19	C18	H14	66.1°	173.8°
C13	C19	C18	H15	174.3°	66.2°
C13	C19	H16	H17	118.6°	120.5°
C12	C11	C10	C9	178.6°	176.0°
C12	C11	C10	H6	1.4°	4.1°
C6	C7	O8	C9	179.7°	179.9°
C6	C7	C9	C10	0.5°	1.1°
C6	C7	C9	H5	179.5°	178.9°
C6	C7	O8	H22	180.0°	90.0°
C21	C22	C23	H20	179.7°	179.0°
C11	C10	C9	C7	1.2°	0.1°
C11	C10	C9	H6	180.0°	179.9°
C11	C10	C9	H5	178.8°	179.9°
O8	C7	C9	C10	179.8°	179.0°
O8	C7	C6	H4	0.3°	0.1°
O8	C7	C9	H5	0.2°	1.0°
C7	C9	C10	H5	180.0°	180.0°
C9	C7	C6	H4	180.0°	179.8°
C7	C9	C10	H6	178.8°	179.9°
C9	C7	O8	H22	0.3°	90.0°
H1	C1	C23	H20	0.1°	0.2°
H2	C3	C4	H3	14.2°	0.1°
H5	C9	C10	H6	1.2°	0.2°
H7	C14	C15	H9	51.1°	53.5°
H7	C14	C15	H10	170.1°	66.5°
H8	C14	C15	H9	68.7°	174.1°
H8	C14	C15	H10	50.4°	54.1°
H11	C17	H12	H13	120.0°	120.0°
H14	C18	C19	H16	54.4°	54.1°
H14	C18	C19	H17	173.5°	66.6°
H15	C18	C19	H16	65.3°	174.1°
H15	C18	C19	H17	53.8°	53.5°
H18	C21	C22	H19	1.5°	0.0°
H19	C22	C23	H20	0.3°	0.9°

Release date:	2018-06-20
Definition date:	2017-11-06
Last modified:	2018-06-15
Release status:	REL
Processing site:	PDBJ
Derived from:	5YLT