SQ0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O6	C1	sing	1.43Å	1.44Å
C1	C2	sing	1.53Å	1.48Å
O1	C2	sing	1.43Å	1.42Å
O1	C3	sing	1.43Å	1.42Å
O2	C8	doub	1.22Å	1.23Å
C3	C4	sing	1.53Å	1.53Å
C8	C7	sing	1.48Å	1.49Å
C8	C5	sing	1.47Å	1.46Å
C4	N1	sing	1.46Å	1.45Å
O3	C7	doub	1.22Å	1.22Å
C7	C6	sing	1.47Å	1.45Å
C5	N1	sing	1.37Å	1.32Å
C5	C6	doub	1.40Å	1.42Å
C6	N2	sing	1.37Å	1.31Å
N2	C14	sing	1.47Å	1.45Å
C14	C13	sing	1.53Å	1.51Å
C13	C12	sing	1.53Å	1.51Å
C12	C11	sing	1.53Å	1.50Å
C11	C10	sing	1.53Å	1.50Å
C10	C9	sing	1.53Å	1.51Å
C9	O4	sing	1.43Å	1.42Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C2	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C4	H7	sing	1.09Å	1.10Å
C4	H8	sing	1.09Å	1.10Å
N1	H9	sing	0.97Å	1.00Å
O4	H10	sing	0.97Å	0.95Å
C9	H11	sing	1.09Å	1.10Å
C9	H12	sing	1.09Å	1.10Å
C10	H13	sing	1.09Å	1.10Å
C10	H14	sing	1.09Å	1.10Å
C11	H15	sing	1.09Å	1.10Å
C11	H16	sing	1.09Å	1.10Å
C12	H17	sing	1.09Å	1.10Å
C12	H18	sing	1.09Å	1.10Å
C13	H19	sing	1.09Å	1.10Å
C13	H20	sing	1.09Å	1.10Å
C14	H21	sing	1.09Å	1.10Å
C14	H22	sing	1.09Å	1.10Å
N2	H23	sing	0.97Å	1.00Å
O6	H24	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O6	C1	C2	109.6°	109.5°
O6	C1	H1	109.5°	109.4°
O6	C1	H2	109.5°	109.5°
C1	O6	H24	109.5°	114.0°
C1	C2	O1	108.8°	109.5°
C2	C1	H1	109.5°	109.5°
C2	C1	H2	109.4°	109.5°
C1	C2	H3	109.6°	109.4°
C1	C2	H4	109.6°	109.5°
C2	O1	C3	113.4°	114.0°
O1	C2	H3	109.6°	109.5°
O1	C2	H4	109.6°	109.5°
O1	C3	C4	108.0°	109.5°
O1	C3	H5	109.9°	109.5°
O1	C3	H6	109.8°	109.5°
O2	C8	C7	136.9°	135.8°
O2	C8	C5	134.8°	135.8°
C3	C4	N1	110.6°	109.5°
C4	C3	H5	109.8°	109.4°
C4	C3	H6	109.9°	109.5°
C3	C4	H7	109.2°	109.5°
C3	C4	H8	109.2°	109.4°
C7	C8	C5	88.3°	88.4°
C8	C7	O3	137.4°	135.8°
C8	C7	C6	88.8°	88.4°
C8	C5	N1	133.9°	134.2°
C8	C5	C6	91.2°	91.5°
C4	N1	C5	124.1°	120.0°
N1	C4	H7	109.2°	109.5°
N1	C4	H8	109.2°	109.4°
C4	N1	H9	105.7°	120.0°
O3	C7	C6	133.7°	135.8°
C7	C6	C5	91.6°	91.6°
C7	C6	N2	132.1°	134.2°
N1	C5	C6	134.8°	134.2°
C5	N1	H9	105.7°	120.0°
C5	C6	N2	136.3°	134.2°
C6	N2	C14	120.9°	120.0°
C6	N2	H23	106.5°	120.0°
N2	C14	C13	112.2°	109.5°
N2	C14	H21	108.8°	109.4°
N2	C14	H22	108.8°	109.5°
C14	N2	H23	106.5°	120.0°
C14	C13	C12	113.2°	109.5°
C14	C13	H19	108.5°	109.5°
C14	C13	H20	108.5°	109.5°
C13	C14	H21	108.8°	109.5°
C13	C14	H22	108.8°	109.5°
C13	C12	C11	113.5°	109.5°
C13	C12	H17	108.4°	109.5°
C13	C12	H18	108.4°	109.5°
C12	C13	H19	108.5°	109.5°
C12	C13	H20	108.5°	109.4°
C12	C11	C10	113.3°	109.5°
C12	C11	H15	108.5°	109.4°
C12	C11	H16	108.5°	109.5°
C11	C12	H17	108.5°	109.5°
C11	C12	H18	108.5°	109.5°
C11	C10	C9	113.8°	109.5°
C11	C10	H13	108.4°	109.5°
C11	C10	H14	108.3°	109.5°
C10	C11	H15	108.5°	109.5°
C10	C11	H16	108.5°	109.5°
C10	C9	O4	111.3°	109.5°
C10	C9	H11	109.0°	109.5°
C10	C9	H12	109.0°	109.5°
C9	C10	H13	108.4°	109.4°
C9	C10	H14	108.4°	109.4°
C9	O4	H10	109.5°	114.0°
O4	C9	H11	109.0°	109.5°
O4	C9	H12	109.0°	109.5°
H1	C1	H2	109.5°	109.4°
H3	C2	H4	109.5°	109.5°
H5	C3	H6	109.5°	109.5°
H7	C4	H8	109.4°	109.5°
H11	C9	H12	109.5°	109.4°
H13	C10	H14	109.5°	109.5°
H15	C11	H16	109.5°	109.5°
H17	C12	H18	109.4°	109.4°
H19	C13	H20	109.5°	109.5°
H21	C14	H22	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O6	C1	C2	H1	120.0°	119.9°
O6	C1	C2	H2	120.0°	120.0°
O6	C1	C2	O1	59.4°	65.1°
O6	C1	H1	H2	120.0°	120.0°
O6	C1	C2	H3	60.5°	175.0°
O6	C1	C2	H4	179.3°	55.0°
C1	C2	O1	H3	119.9°	120.0°
C1	C2	O1	H4	119.9°	120.0°
C1	C2	O1	C3	152.0°	180.0°
C2	C1	H1	H2	119.9°	120.1°
C1	C2	H3	H4	120.3°	120.0°
C2	C1	O6	H24	180.0°	180.0°
C2	O1	C3	C4	102.7°	180.0°
O1	C2	C1	H1	179.4°	175.0°
O1	C2	C1	H2	60.6°	55.0°
O1	C2	H3	H4	120.3°	120.0°
C2	O1	C3	H5	137.6°	60.0°
C2	O1	C3	H6	17.1°	60.0°
O1	C3	C4	H5	119.8°	120.0°
O1	C3	C4	H6	119.7°	120.0°
O1	C3	C4	N1	117.4°	65.0°
C3	O1	C2	H3	32.0°	60.0°
C3	O1	C2	H4	88.1°	60.0°
O1	C3	H5	H6	120.7°	120.0°
O1	C3	C4	H7	2.8°	175.0°
O1	C3	C4	H8	122.4°	55.0°
O2	C8	C7	C5	178.6°	179.8°
O2	C8	C7	O3	0.3°	0.1°
O2	C8	C7	C6	178.6°	180.0°
O2	C8	C5	N1	4.0°	0.2°
O2	C8	C5	C6	178.7°	179.9°
C3	C4	N1	H7	120.2°	120.0°
C3	C4	N1	H8	120.2°	119.9°
C3	C4	N1	C5	96.4°	180.0°
C4	C3	H5	H6	120.7°	120.0°
C3	C4	H7	H8	119.5°	120.0°
C3	C4	N1	H9	141.6°	0.0°
C8	C7	O3	C6	177.6°	179.7°
C7	C8	C5	N1	177.4°	180.0°
C7	C8	C5	C6	0.0°	0.2°
C8	C7	C6	N2	178.5°	179.9°
C8	C5	N1	C4	16.3°	0.3°
C5	C8	C7	O3	178.2°	180.0°
C8	C5	N1	C6	176.2°	179.7°
C8	C5	C6	N2	178.4°	179.9°
C8	C5	N1	H9	105.7°	179.7°
C4	N1	C5	H9	122.0°	180.0°
C4	N1	C5	C6	167.5°	180.0°
N1	C4	C3	H5	122.8°	175.0°
N1	C4	C3	H6	2.3°	55.0°
N1	C4	H7	H8	119.5°	120.0°
O3	C7	C6	C5	178.4°	179.9°
O3	C7	C6	N2	0.1°	0.0°
C7	C6	C5	N1	177.3°	180.0°
C7	C6	C5	N2	178.4°	179.9°
C7	C6	N2	C14	27.1°	0.1°
C7	C6	N2	H23	94.5°	180.0°
N1	C5	C6	N2	4.3°	0.1°
C5	N1	C4	H7	23.8°	60.0°
C5	N1	C4	H8	143.4°	60.1°
C5	C6	N2	C14	150.7°	180.0°
C6	C5	N1	H9	70.5°	0.0°
C5	C6	N2	H23	87.7°	0.1°
C6	N2	C14	H23	121.6°	179.9°
C6	N2	C14	C13	174.2°	180.0°
C6	N2	C14	H21	65.4°	60.1°
C6	N2	C14	H22	53.8°	60.0°
N2	C14	C13	H21	120.4°	119.9°
N2	C14	C13	H22	120.4°	120.0°
N2	C14	C13	C12	49.9°	180.0°
N2	C14	C13	H19	170.5°	60.0°
N2	C14	C13	H20	70.7°	60.0°
N2	C14	H21	H22	118.7°	120.0°
C14	C13	C12	H19	120.6°	120.0°
C14	C13	C12	H20	120.6°	120.0°
C14	C13	C12	C11	137.3°	180.0°
C14	C13	C12	H17	102.1°	60.0°
C14	C13	C12	H18	16.7°	60.0°
C14	C13	H19	H20	118.3°	120.0°
C13	C14	H21	H22	118.8°	120.1°
C13	C14	N2	H23	52.6°	0.0°
C13	C12	C11	H17	120.6°	120.1°
C13	C12	C11	H18	120.6°	120.0°
C13	C12	C11	C10	76.7°	180.0°
C13	C12	C11	H15	162.7°	60.0°
C13	C12	C11	H16	43.8°	60.0°
C13	C12	H17	H18	118.1°	120.0°
C12	C13	H19	H20	118.3°	119.9°
C12	C13	C14	H21	70.5°	60.0°
C12	C13	C14	H22	170.3°	60.1°
C12	C11	C10	H15	120.5°	119.9°
C12	C11	C10	H16	120.6°	120.0°
C12	C11	C10	C9	69.1°	180.0°
C12	C11	C10	H13	170.2°	60.0°
C12	C11	C10	H14	51.5°	60.0°
C12	C11	H15	H16	118.3°	120.0°
C11	C12	H17	H18	118.2°	119.9°
C11	C12	C13	H19	16.7°	60.0°
C11	C12	C13	H20	102.2°	60.0°
C11	C10	C9	H13	120.6°	120.0°
C11	C10	C9	H14	120.6°	120.0°
C11	C10	C9	O4	146.7°	180.0°
C11	C10	C9	H11	93.1°	60.0°
C11	C10	C9	H12	26.4°	59.9°
C11	C10	H13	H14	118.0°	120.1°
C10	C11	H15	H16	118.3°	120.0°
C10	C11	C12	H17	43.9°	60.0°
C10	C11	C12	H18	162.7°	59.9°
C10	C9	O4	H11	120.3°	120.0°
C10	C9	O4	H12	120.3°	120.0°
C10	C9	O4	H10	180.0°	180.0°
C10	C9	H11	H12	119.2°	119.9°
C9	C10	H13	H14	118.0°	119.9°
C9	C10	C11	H15	51.4°	60.1°
C9	C10	C11	H16	170.3°	60.0°
O4	C9	H11	H12	119.2°	120.0°
O4	C9	C10	H13	26.0°	60.0°
O4	C9	C10	H14	92.7°	60.0°
H1	C1	C2	H3	59.5°	55.0°
H1	C1	C2	H4	60.7°	65.0°
H1	C1	O6	H24	60.0°	60.0°
H2	C1	C2	H3	179.5°	65.0°
H2	C1	C2	H4	59.3°	175.0°
H2	C1	O6	H24	60.0°	59.9°
H5	C3	C4	H7	117.0°	55.0°
H5	C3	C4	H8	2.7°	65.0°
H6	C3	C4	H7	122.5°	65.0°
H6	C3	C4	H8	117.8°	175.0°
H7	C4	N1	H9	98.2°	120.0°
H8	C4	N1	H9	21.4°	120.0°
H10	O4	C9	H11	59.7°	60.0°
H10	O4	C9	H12	59.7°	60.0°
H11	C9	C10	H13	146.3°	180.0°
H11	C9	C10	H14	27.5°	60.1°
H12	C9	C10	H13	94.3°	60.0°
H12	C9	C10	H14	147.0°	180.0°
H13	C10	C11	H15	69.3°	180.0°
H13	C10	C11	H16	49.6°	59.9°
H14	C10	C11	H15	172.0°	59.9°
H14	C10	C11	H16	69.1°	180.0°
H15	C11	C12	H17	76.7°	180.0°
H15	C11	C12	H18	42.1°	60.0°
H16	C11	C12	H17	164.4°	60.0°
H16	C11	C12	H18	76.8°	179.9°
H17	C12	C13	H19	137.3°	180.0°
H17	C12	C13	H20	18.5°	60.0°
H18	C12	C13	H19	103.9°	60.0°
H18	C12	C13	H20	137.2°	180.0°
H19	C13	C14	H21	50.1°	180.0°
H19	C13	C14	H22	69.1°	60.0°
H20	C13	C14	H21	168.9°	59.9°
H20	C13	C14	H22	49.7°	180.0°
H21	C14	N2	H23	173.0°	120.0°
H22	C14	N2	H23	67.8°	120.0°

Release date:	2021-06-16
Definition date:	2021-04-12
Last modified:	2021-06-11
Release status:	REL
Processing site:	RCSB
Derived from:	7MGA