28I

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N3	C4	sing	1.38Å	1.36Å
O1	C6	doub	1.22Å	1.22Å
N6	C7	doub	1.30Å	1.33Å
C4	N1	doub	1.33Å	1.35Å	Aromatic
C4	C3	sing	1.40Å	1.39Å	Aromatic
C6	C3	sing	1.47Å	1.49Å
C6	N5	sing	1.35Å	1.34Å
N1	C1	sing	1.33Å	1.37Å	Aromatic
C3	N2	doub	1.33Å	1.35Å	Aromatic
C7	N5	sing	1.38Å	1.33Å
C7	N7	sing	1.37Å	1.26Å
C12	C11	sing	1.54Å	1.53Å
C12	C13	sing	1.51Å	1.53Å
C11	N4	sing	1.40Å	1.46Å
C1	N4	sing	1.38Å	1.41Å
C1	C2	doub	1.41Å	1.40Å	Aromatic
N2	C2	sing	1.32Å	1.35Å	Aromatic
C13	C14	sing	1.54Å	1.52Å
N4	C16	sing	1.48Å	1.49Å
C2	C5	sing	1.48Å	1.49Å
C16	C15	sing	1.51Å	1.53Å
C14	C15	sing	1.54Å	1.52Å
C5	C10	doub	1.36Å	1.39Å	Aromatic
C5	C8	sing	1.47Å	1.37Å	Aromatic
C10	O2	sing	1.34Å	1.38Å	Aromatic
C8	C9	doub	1.34Å	1.38Å	Aromatic
O2	C9	sing	1.34Å	1.37Å	Aromatic
N6	H1	sing	0.97Å	1.00Å
C9	H2	sing	1.08Å	1.08Å
C10	H3	sing	1.08Å	1.08Å
C11	H4	sing	1.09Å	1.10Å
C11	H5	sing	1.09Å	1.10Å
C12	H6	sing	1.09Å	1.10Å
C12	H7	sing	1.09Å	1.10Å
C14	H8	sing	1.09Å	1.10Å
C14	H9	sing	1.09Å	1.10Å
N3	H10	sing	0.97Å	1.00Å
N3	H11	sing	0.97Å	1.00Å
N5	H12	sing	0.97Å	1.00Å
N7	H13	sing	0.97Å	1.00Å
N7	H14	sing	0.97Å	1.00Å
C8	H15	sing	1.08Å	1.08Å
C16	H16	sing	1.09Å	1.10Å
C16	H17	sing	1.09Å	1.10Å
C15	H18	sing	1.09Å	1.10Å
C15	H19	sing	1.09Å	1.10Å
C13	H20	sing	1.09Å	1.10Å
C13	H21	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N3	C4	N1	119.5°	120.0°
N3	C4	C3	122.2°	120.0°
C4	N3	H10	109.5°	120.0°
C4	N3	H11	109.5°	120.0°
O1	C6	C3	119.8°	120.0°
O1	C6	N5	126.1°	120.0°
N6	C7	N5	120.8°	120.0°
N6	C7	N7	121.1°	120.0°
C7	N6	H1	112.0°	120.0°
N1	C4	C3	118.3°	120.0°
C4	N1	C1	122.8°	120.0°
C4	C3	C6	123.9°	120.0°
C4	C3	N2	119.8°	120.0°
C3	C6	N5	113.9°	120.0°
C6	C3	N2	116.3°	120.0°
C6	N5	C7	127.1°	120.0°
C6	N5	H12	116.5°	120.0°
N1	C1	N4	117.7°	120.0°
N1	C1	C2	117.6°	120.0°
C3	N2	C2	121.9°	120.0°
N5	C7	N7	118.1°	120.0°
C7	N5	H12	116.5°	120.0°
C7	N7	H13	120.0°	120.0°
C7	N7	H14	120.0°	120.0°
C11	C12	C13	112.1°	109.0°
C12	C11	N4	105.7°	111.8°
C12	C11	H4	110.4°	109.0°
C12	C11	H5	110.4°	109.0°
C11	C12	H6	108.8°	109.6°
C11	C12	H7	108.8°	109.6°
C12	C13	C14	112.7°	112.6°
C13	C12	H6	108.8°	109.5°
C13	C12	H7	108.8°	109.5°
C12	C13	H20	108.7°	108.8°
C12	C13	H21	108.6°	108.9°
C11	N4	C1	120.8°	111.0°
C11	N4	C16	120.8°	114.7°
N4	C11	H4	110.4°	109.0°
N4	C11	H5	110.4°	109.0°
N4	C1	C2	124.5°	119.9°
C1	N4	C16	117.8°	111.0°
C1	C2	N2	119.6°	120.0°
C1	C2	C5	126.8°	120.0°
N2	C2	C5	113.5°	120.0°
C13	C14	C15	111.2°	112.0°
C13	C14	H8	109.1°	109.0°
C13	C14	H9	109.0°	108.9°
C14	C13	H20	108.7°	108.9°
C14	C13	H21	108.7°	108.8°
N4	C16	C15	114.5°	108.1°
N4	C16	H16	108.2°	109.7°
N4	C16	H17	108.2°	109.7°
C2	C5	C10	127.1°	127.1°
C2	C5	C8	125.5°	127.1°
C16	C15	C14	111.5°	111.6°
C15	C16	H16	108.2°	109.8°
C15	C16	H17	108.2°	109.8°
C16	C15	H18	108.9°	109.1°
C16	C15	H19	109.0°	109.0°
C15	C14	H8	109.0°	109.0°
C15	C14	H9	109.0°	109.0°
C14	C15	H18	109.0°	109.0°
C14	C15	H19	108.9°	109.1°
C10	C5	C8	107.3°	105.8°
C5	C10	O2	108.3°	108.4°
C5	C10	H3	125.8°	125.8°
C5	C8	C9	108.5°	106.0°
C5	C8	H15	125.7°	127.0°
C10	O2	C9	107.7°	110.8°
O2	C10	H3	125.9°	125.8°
C8	C9	O2	108.1°	109.0°
C8	C9	H2	125.9°	125.5°
C9	C8	H15	125.8°	127.0°
O2	C9	H2	126.0°	125.5°
H4	C11	H5	109.5°	109.0°
H6	C12	H7	109.5°	109.6°
H8	C14	H9	109.5°	108.9°
H10	N3	H11	109.5°	120.0°
H13	N7	H14	120.0°	119.9°
H16	C16	H17	109.5°	109.8°
H18	C15	H19	109.5°	109.0°
H20	C13	H21	109.5°	108.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N3	C4	N1	C3	179.5°	179.9°
N3	C4	C3	C6	0.7°	0.1°
N3	C4	N1	C1	179.6°	180.0°
N3	C4	C3	N2	179.9°	179.7°
C4	N3	H10	H11	120.0°	179.9°
O1	C6	C3	C4	12.9°	5.9°
O1	C6	C3	N5	176.0°	179.9°
O1	C6	C3	N2	167.9°	174.4°
O1	C6	N5	C7	4.1°	0.1°
O1	C6	N5	H12	175.9°	180.0°
N6	C7	N5	C6	1.2°	0.1°
N6	C7	N5	N7	179.1°	180.0°
N6	C7	N5	H12	178.8°	180.0°
N6	C7	N7	H13	179.2°	0.0°
N6	C7	N7	H14	0.9°	179.9°
N1	C4	C3	C6	178.8°	180.0°
N1	C4	C3	N2	0.4°	0.4°
C4	N1	C1	N4	177.1°	180.0°
C4	N1	C1	C2	1.6°	0.2°
N1	C4	N3	H10	0.0°	24.6°
N1	C4	N3	H11	120.0°	155.3°
C4	C3	C6	N2	179.2°	179.6°
C4	C3	C6	N5	163.1°	174.2°
C3	C4	N1	C1	1.0°	0.1°
C4	C3	N2	C2	0.6°	0.3°
C3	C4	N3	H10	179.4°	155.3°
C3	C4	N3	H11	60.5°	24.8°
C3	C6	N5	C7	179.9°	180.0°
C6	C3	N2	C2	178.7°	180.0°
C3	C6	N5	H12	0.1°	0.1°
N5	C6	C3	N2	16.1°	5.5°
C6	N5	C7	H12	180.0°	179.9°
C6	N5	C7	N7	179.7°	180.0°
N1	C1	N4	C11	41.3°	58.1°
N1	C1	N4	C2	175.2°	179.8°
N1	C1	C2	N2	1.7°	0.2°
N1	C1	N4	C16	129.8°	70.7°
N1	C1	C2	C5	178.6°	179.8°
C3	N2	C2	C1	1.2°	0.0°
C3	N2	C2	C5	178.6°	180.0°
N5	C7	N6	H1	179.1°	180.0°
N5	C7	N7	H13	0.0°	180.0°
N5	C7	N7	H14	180.0°	0.0°
N7	C7	N6	H1	0.0°	0.0°
N7	C7	N5	H12	0.3°	0.1°
C7	N7	H13	H14	180.0°	180.0°
C11	C12	C13	H6	120.4°	119.9°
C11	C12	C13	H7	120.4°	119.9°
C12	C11	N4	H4	119.4°	120.6°
C12	C11	N4	H5	119.4°	120.5°
C12	C11	N4	C1	116.4°	170.9°
C11	C12	C13	C14	76.7°	93.0°
C12	C11	N4	C16	54.5°	62.3°
C12	C11	H4	H5	121.8°	118.8°
C11	C12	H6	H7	118.8°	120.3°
C11	C12	C13	H20	43.7°	146.1°
C11	C12	C13	H21	162.8°	27.8°
C13	C12	C11	N4	95.1°	77.4°
C12	C13	C14	H20	120.5°	120.8°
C12	C13	C14	H21	120.5°	120.9°
C12	C13	C14	C15	58.8°	41.5°
C13	C12	C11	H4	145.5°	43.2°
C13	C12	C11	H5	24.3°	162.0°
C13	C12	H6	H7	118.8°	120.2°
C12	C13	C14	H8	179.1°	162.2°
C12	C13	C14	H9	61.4°	79.1°
C12	C13	H20	H21	118.5°	118.5°
C11	N4	C1	C16	171.2°	128.8°
C11	N4	C1	C2	143.5°	122.1°
C11	N4	C16	C15	22.0°	82.8°
N4	C11	H4	H5	121.7°	118.9°
N4	C11	C12	H6	144.5°	42.4°
N4	C11	C12	H7	25.3°	162.8°
C11	N4	C16	H16	98.8°	36.8°
C11	N4	C16	H17	142.8°	157.5°
N4	C1	C2	N2	176.9°	180.0°
N4	C1	C2	C5	6.2°	0.0°
C1	N4	C16	C15	166.8°	150.4°
C1	N4	C11	H4	3.0°	68.5°
C1	N4	C11	H5	124.2°	50.4°
C1	N4	C16	H16	72.4°	90.0°
C1	N4	C16	H17	46.1°	30.7°
C1	C2	N2	C5	177.3°	180.0°
C2	C1	N4	C16	45.4°	109.1°
C1	C2	C5	C10	58.2°	34.9°
C1	C2	C5	C8	125.4°	145.0°
N2	C2	C5	C10	118.9°	145.0°
N2	C2	C5	C8	57.5°	35.0°
C13	C14	C15	C16	78.8°	41.0°
C13	C14	C15	H8	120.3°	120.6°
C13	C14	C15	H9	120.2°	120.6°
C14	C13	C12	H6	162.9°	26.9°
C14	C13	C12	H7	43.7°	147.1°
C13	C14	H8	H9	119.2°	118.7°
C13	C14	C15	H18	160.9°	79.6°
C13	C14	C15	H19	41.5°	161.5°
C14	C13	H20	H21	118.6°	118.4°
N4	C16	C15	H16	120.7°	119.6°
N4	C16	C15	H17	120.7°	119.6°
N4	C16	C15	C14	84.3°	95.1°
C16	N4	C11	H4	173.9°	58.3°
C16	N4	C11	H5	64.9°	177.2°
N4	C16	H16	H17	117.7°	120.6°
N4	C16	C15	H18	155.4°	25.5°
N4	C16	C15	H19	36.0°	144.4°
C2	C5	C10	C8	176.9°	179.9°
C2	C5	C10	O2	178.0°	179.9°
C2	C5	C8	C9	178.2°	179.9°
C2	C5	C10	H3	2.0°	0.0°
C2	C5	C8	H15	1.8°	0.2°
C16	C15	C14	H18	120.3°	120.5°
C16	C15	C14	H19	120.3°	120.5°
C16	C15	C14	H8	160.9°	79.7°
C16	C15	C14	H9	41.4°	161.5°
C15	C16	H16	H17	117.7°	120.8°
C16	C15	H18	H19	119.1°	118.9°
C15	C14	H8	H9	119.2°	118.9°
C14	C15	C16	H16	36.5°	24.6°
C14	C15	C16	H17	155.0°	145.3°
C14	C15	H18	H19	119.1°	119.0°
C15	C14	C13	H20	61.6°	162.3°
C15	C14	C13	H21	179.3°	79.4°
C5	C10	O2	H3	180.0°	179.9°
C10	C5	C8	C9	1.2°	0.2°
C5	C10	O2	C9	0.5°	0.2°
C10	C5	C8	H15	178.8°	179.8°
C8	C5	C10	O2	1.1°	0.0°
C5	C8	C9	H15	180.0°	179.9°
C5	C8	C9	O2	0.9°	0.3°
C5	C8	C9	H2	179.1°	180.0°
C8	C5	C10	H3	178.9°	179.9°
C10	O2	C9	C8	0.2°	0.3°
C10	O2	C9	H2	179.8°	180.0°
C8	C9	O2	H2	180.0°	179.7°
C9	O2	C10	H3	179.5°	179.9°
O2	C9	C8	H15	179.1°	179.7°
H2	C9	C8	H15	0.9°	0.1°
H4	C11	C12	H6	25.1°	163.0°
H4	C11	C12	H7	94.1°	76.7°
H5	C11	C12	H6	96.1°	78.1°
H5	C11	C12	H7	144.7°	42.2°
H6	C12	C13	H20	76.7°	94.0°
H6	C12	C13	H21	42.4°	147.7°
H7	C12	C13	H20	164.2°	26.3°
H7	C12	C13	H21	76.8°	92.1°
H8	C14	C15	H18	40.6°	159.8°
H8	C14	C15	H19	78.8°	40.9°
H8	C14	C13	H20	58.6°	77.0°
H8	C14	C13	H21	60.4°	41.3°
H9	C14	C15	H18	78.9°	41.0°
H9	C14	C15	H19	161.7°	78.0°
H9	C14	C13	H20	178.1°	41.7°
H9	C14	C13	H21	59.0°	160.0°
H16	C16	C15	H18	83.9°	145.1°
H16	C16	C15	H19	156.8°	96.0°
H17	C16	C15	H18	34.7°	94.2°
H17	C16	C15	H19	84.7°	24.8°

Release date:	2018-12-19
Definition date:	2018-02-15
Last modified:	2018-12-14
Release status:	REL
Processing site:	PDBJ
Derived from:	5ZAF