QMK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O5	P1	doub	1.48Å	1.52Å
P1	O4	sing	1.61Å	1.52Å
P1	O3	sing	1.61Å	1.61Å
O3	C9	sing	1.43Å	1.45Å
C9	C8	sing	1.53Å	1.51Å
C8	C10	sing	1.55Å	1.54Å
C8	O2	sing	1.44Å	1.45Å
N1	C3	sing	1.46Å	1.45Å
N1	C2	sing	1.35Å	1.34Å
C10	C11	sing	1.55Å	1.53Å
C10	O7	sing	1.43Å	1.42Å
C3	C4	sing	1.53Å	1.52Å
O2	C7	sing	1.44Å	1.41Å
C11	C7	sing	1.55Å	1.53Å
C11	O8	sing	1.43Å	1.41Å
C1	C2	sing	1.51Å	1.50Å
C2	O1	doub	1.21Å	1.23Å
C6	C5	doub	1.35Å	1.36Å	Aromatic
C6	N2	sing	1.35Å	1.35Å	Aromatic
C4	C5	sing	1.51Å	1.49Å
C7	N2	sing	1.47Å	1.45Å
C5	N4	sing	1.34Å	1.36Å	Aromatic
N2	N3	sing	1.29Å	1.35Å	Aromatic
N4	N3	doub	1.29Å	1.32Å	Aromatic
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C6	H3	sing	1.08Å	1.08Å
C11	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
C8	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
C10	H9	sing	1.09Å	1.10Å
N1	H10	sing	0.97Å	1.00Å
C3	H11	sing	1.09Å	1.10Å
C3	H12	sing	1.09Å	1.10Å
C1	H13	sing	1.09Å	1.10Å
C1	H14	sing	1.09Å	1.10Å
C1	H15	sing	1.09Å	1.10Å
O4	H16	sing	0.97Å	0.95Å
O7	H18	sing	0.97Å	0.95Å
O8	H19	sing	0.97Å	0.95Å
P1	O6	sing	1.61Å	1.56Å
O6	H21	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O5	P1	O4	112.8°	109.5°
O5	P1	O3	105.7°	109.4°
O5	P1	O6	120.1°	109.5°
O4	P1	O3	105.6°	109.5°
P1	O4	H16	109.5°	113.9°
O4	P1	O6	112.9°	109.5°
P1	O3	C9	119.0°	123.0°
O3	P1	O6	96.9°	109.5°
O3	C9	C8	108.9°	109.5°
O3	C9	H7	109.6°	109.5°
O3	C9	H8	109.6°	109.4°
C9	C8	C10	116.4°	110.4°
C9	C8	O2	108.3°	110.4°
C9	C8	H6	108.6°	110.4°
C8	C9	H7	109.6°	109.5°
C8	C9	H8	109.6°	109.5°
C10	C8	O2	105.7°	104.8°
C8	C10	C11	102.6°	104.1°
C8	C10	O7	109.6°	110.5°
C10	C8	H6	108.3°	110.4°
C8	C10	H9	111.0°	110.5°
C8	O2	C7	108.9°	105.3°
O2	C8	H6	109.4°	110.4°
C3	N1	C2	123.3°	120.0°
N1	C3	C4	112.2°	109.5°
C3	N1	H10	118.3°	120.0°
N1	C3	H11	108.8°	109.5°
N1	C3	H12	108.8°	109.4°
N1	C2	C1	116.3°	120.0°
N1	C2	O1	121.8°	119.9°
C2	N1	H10	118.3°	120.0°
C11	C10	O7	109.2°	110.5°
C10	C11	C7	99.2°	104.0°
C10	C11	O8	114.6°	110.5°
C10	C11	H4	110.3°	110.6°
C11	C10	H9	111.1°	110.5°
O7	C10	H9	112.8°	110.6°
C10	O7	H18	109.5°	114.0°
C3	C4	C5	113.0°	109.4°
C3	C4	H1	108.6°	109.5°
C3	C4	H2	108.6°	109.5°
C4	C3	H11	108.8°	109.5°
C4	C3	H12	108.8°	109.5°
O2	C7	C11	104.9°	104.8°
O2	C7	N2	108.9°	110.4°
O2	C7	H5	109.8°	110.5°
C7	C11	O8	109.6°	110.5°
C11	C7	N2	115.7°	110.3°
C7	C11	H4	110.4°	110.5°
C11	C7	H5	108.2°	110.4°
O8	C11	H4	112.0°	110.4°
C11	O8	H19	109.5°	114.0°
C1	C2	O1	121.9°	120.0°
C2	C1	H13	109.5°	109.4°
C2	C1	H14	109.4°	109.5°
C2	C1	H15	109.5°	109.4°
C5	C6	N2	105.6°	106.1°
C6	C5	C4	130.9°	126.7°
C6	C5	N4	107.8°	106.5°
C5	C6	H3	127.2°	126.9°
C6	N2	C7	127.5°	125.8°
C6	N2	N3	110.2°	108.3°
N2	C6	H3	127.2°	126.9°
C4	C5	N4	121.3°	126.8°
C5	C4	H1	108.6°	109.5°
C5	C4	H2	108.6°	109.5°
C7	N2	N3	122.2°	125.9°
N2	C7	H5	109.1°	110.3°
C5	N4	N3	109.6°	108.9°
N2	N3	N4	106.8°	110.2°
H1	C4	H2	109.5°	109.5°
H7	C9	H8	109.4°	109.5°
H11	C3	H12	109.4°	109.5°
H13	C1	H14	109.5°	109.5°
H13	C1	H15	109.4°	109.5°
H14	C1	H15	109.5°	109.5°
P1	O6	H21	109.5°	114.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O5	P1	O4	O3	115.0°	120.0°
O5	P1	O4	O6	140.3°	120.0°
O5	P1	O3	O6	124.0°	120.0°
O5	P1	O3	C9	63.7°	55.0°
O5	P1	O4	H16	0.0°	60.0°
O5	P1	O6	H21	0.0°	180.0°
O4	P1	O3	O6	116.2°	120.0°
O4	P1	O3	C9	176.5°	175.0°
O4	P1	O6	H21	137.1°	60.0°
P1	O3	C9	C8	179.5°	180.0°
P1	O3	C9	H7	59.6°	60.0°
P1	O3	C9	H8	60.6°	60.0°
O3	P1	O4	H16	115.0°	180.0°
O3	P1	O6	H21	112.7°	60.0°
O3	C9	C8	H7	119.9°	120.0°
O3	C9	C8	H8	119.9°	119.9°
O3	C9	C8	C10	167.0°	175.0°
O3	C9	C8	O2	48.2°	69.6°
O3	C9	C8	H6	70.6°	52.7°
O3	C9	H7	H8	120.3°	120.0°
C9	O3	P1	O6	60.4°	65.0°
C9	C8	C10	O2	120.2°	118.8°
C9	C8	C10	H6	122.6°	122.3°
C9	C8	O2	H6	118.3°	122.4°
C9	C8	C10	C11	99.4°	142.8°
C9	C8	C10	O7	144.6°	98.5°
C9	C8	O2	C7	131.7°	159.4°
C8	C9	H7	H8	120.3°	120.0°
C9	C8	C10	H9	19.3°	24.2°
C10	C8	O2	H6	116.4°	118.8°
C8	C10	C11	O7	116.3°	118.6°
C8	C10	C11	H9	118.7°	118.7°
C8	C10	O7	H9	124.3°	122.7°
C10	C8	O2	C7	6.3°	40.5°
C8	C10	C11	C7	37.4°	0.0°
C8	C10	C11	O8	154.1°	118.6°
C8	C10	C11	H4	78.4°	118.7°
C10	C8	C9	H7	47.1°	55.0°
C10	C8	C9	H8	73.1°	65.0°
C8	C10	O7	H18	180.0°	180.0°
O2	C8	C10	C11	20.8°	24.0°
O2	C8	C10	O7	95.1°	142.6°
C8	O2	C7	C11	31.4°	40.5°
C8	O2	C7	N2	155.8°	159.3°
C8	O2	C7	H5	84.7°	78.4°
O2	C8	C9	H7	71.7°	170.3°
O2	C8	C9	H8	168.1°	50.3°
O2	C8	C10	H9	139.5°	94.7°
C3	N1	C2	H10	180.0°	179.9°
N1	C3	C4	H11	120.4°	120.0°
N1	C3	C4	H12	120.4°	120.0°
C3	N1	C2	C1	170.8°	180.0°
C3	N1	C2	O1	9.8°	0.1°
N1	C3	C4	C5	179.3°	180.0°
N1	C3	C4	H1	60.1°	60.0°
N1	C3	C4	H2	58.8°	60.0°
N1	C3	H11	H12	118.7°	120.0°
C2	N1	C3	C4	68.3°	180.0°
N1	C2	C1	O1	179.3°	179.9°
C2	N1	C3	H11	171.3°	59.9°
C2	N1	C3	H12	52.1°	60.0°
N1	C2	C1	H13	179.4°	90.0°
N1	C2	C1	H14	59.3°	149.9°
N1	C2	C1	H15	60.6°	30.0°
C11	C10	O7	H9	124.1°	122.7°
C10	C11	C7	O2	42.8°	24.0°
C10	C11	C7	O8	120.4°	118.7°
C10	C11	C7	H4	115.8°	118.8°
C10	C11	O8	H4	126.6°	122.7°
C10	C11	C7	N2	162.8°	142.8°
C10	C11	C7	H5	74.4°	95.0°
C11	C10	C8	H6	138.0°	94.8°
C11	C10	O7	H18	68.3°	65.4°
C10	C11	O8	H19	180.0°	65.3°
O7	C10	C11	C7	78.8°	118.7°
O7	C10	C11	O8	37.8°	0.0°
O7	C10	C11	H4	165.3°	122.7°
O7	C10	C8	H6	22.0°	23.8°
C3	C4	C5	C6	90.1°	125.3°
C3	C4	C5	H1	120.5°	120.0°
C3	C4	C5	H2	120.5°	120.0°
C3	C4	C5	N4	90.0°	55.1°
C3	C4	H1	H2	118.4°	120.0°
C4	C3	N1	H10	111.7°	0.0°
C4	C3	H11	H12	118.7°	120.0°
O2	C7	C11	N2	120.0°	118.8°
O2	C7	C11	H5	117.2°	119.0°
O2	C7	C11	O8	163.2°	142.6°
O2	C7	N2	C6	103.7°	119.6°
O2	C7	N2	H5	119.9°	122.4°
O2	C7	N2	N3	75.1°	60.4°
O2	C7	C11	H4	73.0°	94.8°
C7	O2	C8	H6	110.1°	78.3°
C7	C11	O8	H4	122.9°	122.6°
C11	C7	N2	C6	14.1°	125.0°
C11	C7	N2	H5	122.3°	122.2°
C11	C7	N2	N3	167.0°	55.0°
C7	C11	C10	H9	156.1°	118.6°
C7	C11	O8	H19	69.5°	180.0°
O8	C11	C7	N2	76.8°	98.5°
O8	C11	C7	H5	46.0°	23.6°
O8	C11	C10	H9	87.3°	122.7°
C1	C2	N1	H10	9.1°	0.1°
C2	C1	H13	H14	120.0°	120.1°
C2	C1	H13	H15	120.0°	119.9°
C2	C1	H14	H15	120.0°	120.0°
O1	C2	N1	H10	170.2°	180.0°
O1	C2	C1	H13	0.0°	90.1°
O1	C2	C1	H14	120.0°	30.0°
O1	C2	C1	H15	120.0°	150.0°
C5	C6	N2	H3	180.0°	180.0°
C6	C5	C4	N4	179.9°	179.6°
C5	C6	N2	C7	179.5°	180.0°
C5	C6	N2	N3	0.6°	0.0°
C6	C5	N4	N3	0.0°	0.4°
C6	C5	C4	H1	149.4°	114.7°
C6	C5	C4	H2	30.5°	5.3°
N2	C6	C5	C4	179.6°	180.0°
C6	N2	C7	N3	178.8°	180.0°
N2	C6	C5	N4	0.4°	0.3°
C6	N2	N3	N4	0.6°	0.3°
C6	N2	C7	H5	136.4°	2.8°
C4	C5	N4	N3	179.9°	179.9°
C5	C4	H1	H2	118.4°	120.0°
C4	C5	C6	H3	0.5°	0.1°
C5	C4	C3	H11	58.9°	60.0°
C5	C4	C3	H12	60.3°	60.0°
C7	N2	N3	N4	179.6°	179.7°
C7	N2	C6	H3	0.5°	0.0°
N2	C7	C11	H4	47.1°	24.0°
C5	N4	N3	N2	0.3°	0.4°
N4	C5	C4	H1	30.5°	64.9°
N4	C5	C4	H2	149.5°	175.0°
N4	C5	C6	H3	179.6°	179.8°
N3	N2	C6	H3	179.4°	180.0°
N3	N2	C7	H5	44.8°	177.2°
H1	C4	C3	H11	179.4°	180.0°
H1	C4	C3	H12	60.3°	60.0°
H2	C4	C3	H11	61.6°	60.0°
H2	C4	C3	H12	179.2°	180.0°
H4	C11	C7	H5	169.8°	146.2°
H4	C11	C10	H9	40.2°	0.0°
H4	C11	O8	H19	53.4°	57.4°
H6	C8	C9	H7	169.5°	67.3°
H6	C8	C9	H8	49.4°	172.7°
H6	C8	C10	H9	103.3°	146.5°
H9	C10	O7	H18	55.8°	57.3°
H10	N1	C3	H11	8.7°	120.0°
H10	N1	C3	H12	127.9°	120.0°
H13	C1	H14	H15	120.0°	120.0°
H16	O4	P1	O6	140.3°	60.0°

Release date:	2021-04-14
Definition date:	2020-07-03
Last modified:	2021-04-09
Release status:	REL
Processing site:	PDBE
Derived from:	6ZMD