PN6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	C18	doub	1.38Å	1.36Å	Aromatic
C17	C16	sing	1.38Å	1.38Å	Aromatic
C18	C19	sing	1.38Å	1.38Å	Aromatic
C16	C15	doub	1.38Å	1.39Å	Aromatic
C19	C14	doub	1.40Å	1.38Å	Aromatic
C15	C14	sing	1.40Å	1.36Å	Aromatic
C14	C13	sing	1.47Å	1.37Å
C13	C10	doub	1.35Å	1.37Å
N9	C10	sing	1.40Å	1.36Å
N9	C8	sing	1.35Å	1.36Å
C10	C11	sing	1.47Å	1.38Å
O20	C8	doub	1.22Å	1.21Å
C8	C7	sing	1.47Å	1.37Å
C11	O21	doub	1.22Å	1.22Å
C11	N12	sing	1.35Å	1.36Å
C7	N12	sing	1.40Å	1.34Å
C7	C6	doub	1.36Å	1.36Å
C6	C2	sing	1.47Å	1.32Å
C2	N3	sing	1.36Å	1.29Å	Aromatic
C2	C1	doub	1.37Å	1.31Å	Aromatic
N3	C4	doub	1.30Å	1.30Å	Aromatic
C25	C22	sing	1.53Å	1.50Å
C1	C22	sing	1.51Å	1.51Å
C1	N5	sing	1.36Å	1.30Å	Aromatic
C24	C22	sing	1.53Å	1.48Å
C22	C23	sing	1.53Å	1.49Å
C4	N5	sing	1.36Å	1.30Å	Aromatic
C6	H1	sing	1.08Å	1.08Å
C4	H2	sing	1.08Å	1.08Å
C23	H3	sing	1.09Å	1.10Å
C23	H4	sing	1.09Å	1.10Å
C23	H5	sing	1.09Å	1.10Å
C24	H6	sing	1.09Å	1.10Å
C24	H7	sing	1.09Å	1.10Å
C24	H8	sing	1.09Å	1.10Å
C25	H9	sing	1.09Å	1.10Å
C25	H10	sing	1.09Å	1.10Å
C25	H11	sing	1.09Å	1.10Å
N5	H12	sing	0.97Å	1.00Å
N12	H14	sing	0.97Å	1.00Å
C13	H15	sing	1.08Å	1.08Å
C15	H17	sing	1.08Å	1.08Å
C16	H18	sing	1.08Å	1.08Å
C17	H19	sing	1.08Å	1.08Å
C18	H20	sing	1.08Å	1.08Å
C19	H21	sing	1.08Å	1.08Å
N9	H13	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C18	C17	C16	119.5°	120.3°
C17	C18	C19	118.6°	120.2°
C18	C17	H19	120.3°	119.8°
C17	C18	H20	120.7°	119.9°
C17	C16	C15	121.9°	120.2°
C17	C16	H18	119.0°	119.9°
C16	C17	H19	120.2°	119.8°
C18	C19	C14	122.0°	119.8°
C19	C18	H20	120.7°	119.9°
C18	C19	H21	119.0°	120.1°
C16	C15	C14	118.3°	119.8°
C16	C15	H17	120.8°	120.1°
C15	C16	H18	119.1°	119.9°
C19	C14	C15	119.7°	119.6°
C19	C14	C13	118.7°	120.2°
C14	C19	H21	119.0°	120.1°
C15	C14	C13	121.6°	120.2°
C14	C15	H17	120.8°	120.1°
C14	C13	C10	120.8°	120.0°
C14	C13	H15	119.6°	120.0°
C13	C10	N9	121.4°	120.2°
C13	C10	C11	118.9°	120.3°
C10	C13	H15	119.6°	120.0°
C10	N9	C8	119.6°	119.5°
N9	C10	C11	119.7°	119.5°
C10	N9	H13	120.2°	120.3°
N9	C8	O20	117.8°	120.2°
N9	C8	C7	120.6°	119.5°
C8	N9	H13	120.2°	120.2°
C10	C11	O21	122.6°	120.3°
C10	C11	N12	119.6°	119.4°
O20	C8	C7	121.6°	120.3°
C8	C7	N12	119.4°	119.5°
C8	C7	C6	124.6°	120.3°
O21	C11	N12	117.8°	120.3°
C11	N12	C7	121.0°	119.4°
C11	N12	H14	119.5°	120.3°
N12	C7	C6	116.0°	120.2°
C7	N12	H14	119.5°	120.3°
C7	C6	C2	115.2°	120.0°
C7	C6	H1	122.4°	120.0°
C6	C2	N3	123.8°	126.3°
C6	C2	C1	128.9°	126.3°
C2	C6	H1	122.4°	120.0°
N3	C2	C1	107.4°	107.5°
C2	N3	C4	107.7°	109.1°
C2	C1	C22	126.3°	126.6°
C2	C1	N5	109.5°	106.7°
N3	C4	N5	109.7°	109.1°
N3	C4	H2	125.2°	125.4°
C25	C22	C1	109.5°	109.5°
C25	C22	C24	109.4°	109.5°
C25	C22	C23	109.0°	109.5°
C22	C25	H9	109.5°	109.5°
C22	C25	H10	109.5°	109.5°
C22	C25	H11	109.5°	109.5°
C22	C1	N5	124.2°	126.7°
C1	C22	C24	112.5°	109.5°
C1	C22	C23	110.5°	109.4°
C1	N5	C4	105.7°	107.6°
C1	N5	H12	127.1°	126.2°
C24	C22	C23	105.8°	109.5°
C22	C24	H6	109.5°	109.5°
C22	C24	H7	109.5°	109.5°
C22	C24	H8	109.5°	109.5°
C22	C23	H3	109.5°	109.5°
C22	C23	H4	109.5°	109.5°
C22	C23	H5	109.4°	109.4°
N5	C4	H2	125.2°	125.5°
C4	N5	H12	127.1°	126.1°
H3	C23	H4	109.5°	109.5°
H3	C23	H5	109.5°	109.4°
H4	C23	H5	109.5°	109.5°
H6	C24	H7	109.5°	109.5°
H6	C24	H8	109.5°	109.4°
H7	C24	H8	109.5°	109.5°
H9	C25	H10	109.5°	109.5°
H9	C25	H11	109.5°	109.4°
H10	C25	H11	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C18	C17	C16	H19	180.0°	179.7°
C17	C18	C19	H20	180.0°	179.7°
C18	C17	C16	C15	0.2°	0.1°
C17	C18	C19	C14	0.3°	0.6°
C18	C17	C16	H18	179.8°	180.0°
C17	C18	C19	H21	179.7°	180.0°
C16	C17	C18	C19	0.2°	0.3°
C17	C16	C15	H18	180.0°	179.9°
C17	C16	C15	C14	1.0°	0.1°
C17	C16	C15	H17	179.1°	180.0°
C16	C17	C18	H20	179.8°	180.0°
C18	C19	C14	H21	180.0°	179.3°
C18	C19	C14	C15	1.2°	0.6°
C18	C19	C14	C13	178.7°	179.7°
C19	C18	C17	H19	179.8°	180.0°
C16	C15	C14	C19	1.4°	0.4°
C16	C15	C14	H17	180.0°	179.9°
C16	C15	C14	C13	178.9°	180.0°
C15	C16	C17	H19	179.8°	179.7°
C19	C14	C15	C13	177.5°	179.6°
C19	C14	C13	C10	151.8°	152.3°
C19	C14	C13	H15	28.2°	27.6°
C19	C14	C15	H17	178.6°	179.7°
C14	C19	C18	H20	179.7°	179.7°
C15	C14	C13	C10	30.7°	28.1°
C15	C14	C13	H15	149.3°	152.0°
C14	C15	C16	H18	179.0°	180.0°
C15	C14	C19	H21	178.9°	180.0°
C14	C13	C10	H15	180.0°	179.9°
C14	C13	C10	N9	23.9°	8.0°
C14	C13	C10	C11	158.0°	172.3°
C13	C14	C15	H17	1.1°	0.1°
C13	C14	C19	H21	1.3°	0.4°
C13	C10	N9	C11	178.2°	179.7°
C13	C10	N9	C8	178.7°	165.9°
C13	C10	C11	O21	1.6°	14.1°
C13	C10	C11	N12	179.0°	165.4°
C13	C10	N9	H13	1.3°	14.1°
C10	N9	C8	H13	180.0°	179.9°
C10	N9	C8	O20	179.8°	179.9°
C10	N9	C8	C7	0.2°	0.0°
N9	C10	C11	O21	179.8°	165.6°
N9	C10	C11	N12	0.7°	14.9°
N9	C10	C13	H15	156.2°	171.9°
C8	N9	C10	C11	0.5°	14.3°
N9	C8	O20	C7	180.0°	179.9°
N9	C8	C7	N12	0.7°	14.5°
N9	C8	C7	C6	179.1°	165.3°
C10	C11	O21	N12	179.5°	179.5°
C10	C11	N12	C7	0.3°	0.4°
C10	C11	N12	H14	179.7°	179.6°
C11	C10	C13	H15	22.0°	7.8°
C11	C10	N9	H13	179.4°	165.6°
O20	C8	C7	N12	179.3°	165.6°
O20	C8	C7	C6	1.0°	14.5°
O20	C8	N9	H13	0.1°	0.2°
C8	C7	N12	C11	0.4°	14.0°
C8	C7	N12	C6	179.7°	179.8°
C8	C7	C6	C2	170.6°	173.0°
C8	C7	C6	H1	9.4°	7.3°
C8	C7	N12	H14	179.6°	166.1°
C7	C8	N9	H13	179.9°	179.9°
O21	C11	N12	C7	179.7°	179.9°
O21	C11	N12	H14	0.3°	0.1°
C11	N12	C7	H14	180.0°	179.9°
C11	N12	C7	C6	179.3°	165.9°
N12	C7	C6	C2	9.1°	6.9°
N12	C7	C6	H1	170.9°	172.9°
C7	C6	C2	H1	180.0°	179.8°
C7	C6	C2	N3	19.6°	4.6°
C7	C6	C2	C1	161.3°	175.8°
C6	C7	N12	H14	0.7°	14.0°
C6	C2	N3	C1	179.2°	179.7°
C6	C2	N3	C4	179.3°	179.9°
C6	C2	C1	C22	1.0°	0.0°
C6	C2	C1	N5	179.7°	179.9°
N3	C2	C1	C22	179.8°	179.7°
N3	C2	C1	N5	0.5°	0.2°
C2	N3	C4	N5	0.4°	0.4°
N3	C2	C6	H1	160.4°	175.2°
C2	N3	C4	H2	179.6°	179.8°
C1	C2	N3	C4	0.1°	0.4°
C2	C1	C22	C25	54.9°	60.0°
C2	C1	C22	N5	179.2°	180.0°
C2	C1	C22	C24	66.9°	60.0°
C2	C1	C22	C23	175.0°	180.0°
C2	C1	N5	C4	0.7°	0.0°
C1	C2	C6	H1	18.7°	4.4°
C2	C1	N5	H12	179.2°	179.7°
N3	C4	N5	C1	0.7°	0.2°
N3	C4	N5	H2	180.0°	179.9°
N3	C4	N5	H12	179.3°	180.0°
C25	C22	C1	C24	121.9°	120.0°
C25	C22	C1	C23	120.1°	120.0°
C25	C22	C1	N5	124.3°	120.0°
C25	C22	C24	C23	117.2°	120.0°
C25	C22	C23	H3	180.0°	180.0°
C25	C22	C23	H4	60.0°	60.0°
C25	C22	C23	H5	60.0°	60.0°
C25	C22	C24	H6	180.0°	60.0°
C25	C22	C24	H7	60.0°	60.0°
C25	C22	C24	H8	60.0°	180.0°
C22	C25	H9	H10	120.0°	120.0°
C22	C25	H9	H11	120.1°	120.0°
C22	C25	H10	H11	120.0°	120.0°
C1	C22	C24	C23	120.8°	119.9°
C22	C1	N5	C4	179.9°	179.9°
C1	C22	C23	H3	59.6°	60.0°
C1	C22	C23	H4	60.4°	60.0°
C1	C22	C23	H5	179.6°	180.0°
C1	C22	C24	H6	58.0°	180.0°
C1	C22	C24	H7	178.0°	60.0°
C1	C22	C24	H8	62.0°	60.0°
C1	C22	C25	H9	180.0°	60.0°
C1	C22	C25	H10	60.0°	60.0°
C1	C22	C25	H11	60.0°	180.0°
C22	C1	N5	H12	0.1°	0.3°
N5	C1	C22	C24	113.8°	119.9°
N5	C1	C22	C23	4.2°	0.1°
C1	N5	C4	H12	180.0°	179.8°
C1	N5	C4	H2	179.3°	179.9°
C24	C22	C23	H3	62.5°	59.9°
C24	C22	C23	H4	177.5°	180.0°
C24	C22	C23	H5	57.5°	60.0°
C22	C24	H6	H7	120.0°	120.0°
C22	C24	H6	H8	120.0°	120.0°
C22	C24	H7	H8	120.0°	120.0°
C24	C22	C25	H9	56.3°	180.0°
C24	C22	C25	H10	176.3°	60.0°
C24	C22	C25	H11	63.8°	60.0°
C22	C23	H3	H4	120.0°	120.1°
C22	C23	H3	H5	120.0°	119.9°
C22	C23	H4	H5	120.0°	120.0°
C23	C22	C24	H6	62.8°	60.0°
C23	C22	C24	H7	57.2°	180.0°
C23	C22	C24	H8	177.2°	59.9°
C23	C22	C25	H9	58.9°	59.9°
C23	C22	C25	H10	61.1°	180.0°
C23	C22	C25	H11	179.0°	60.0°
H2	C4	N5	H12	0.7°	0.2°
H3	C23	H4	H5	120.0°	120.0°
H6	C24	H7	H8	120.0°	120.0°
H9	C25	H10	H11	120.0°	120.0°
H17	C15	C16	H18	1.0°	0.1°
H18	C16	C17	H19	0.2°	0.3°
H19	C17	C18	H20	0.2°	0.3°
H20	C18	C19	H21	0.3°	0.3°

Release date:	2015-11-04
Definition date:	2015-08-28
Last modified:	2020-06-17
Release status:	REL
Processing site:	PDBJ
Derived from:	5C8Y