R8T

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O4	C7	doub	1.21Å	1.27Å
O3	C7	sing	1.34Å	1.27Å
C7	C6	sing	1.51Å	1.49Å
C6	C5	sing	1.53Å	1.47Å
C6	C8	sing	1.53Å	1.37Å
C5	C4	sing	1.53Å	1.51Å
C8	C9	sing	1.53Å	1.50Å
C4	O2	sing	1.43Å	1.44Å
C4	C3	sing	1.53Å	1.53Å
O6	C11	sing	1.43Å	1.42Å
C9	C3	sing	1.53Å	1.54Å
C9	C10	sing	1.53Å	1.56Å
C11	C10	sing	1.53Å	1.51Å
C11	C12	sing	1.53Å	1.54Å
C3	N1	sing	1.46Å	1.46Å
C10	O5	sing	1.43Å	1.43Å
C12	O7	sing	1.43Å	1.40Å
N1	C2	sing	1.35Å	1.34Å
C2	O1	doub	1.21Å	1.25Å
C2	C1	sing	1.51Å	1.49Å
C1	H1	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
N1	H4	sing	0.97Å	1.00Å
C3	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.09Å	1.10Å
O2	H7	sing	0.97Å	0.95Å
C5	H8	sing	1.09Å	1.10Å
C5	H19	sing	1.09Å	1.10Å
C6	H20	sing	1.09Å	1.10Å
O3	H21	sing	0.97Å	0.95Å
C8	H9	sing	1.09Å	1.10Å
C8	H10	sing	1.09Å	1.10Å
C9	H11	sing	1.09Å	1.10Å
C10	H12	sing	1.09Å	1.10Å
O5	H13	sing	0.97Å	0.95Å
C11	H14	sing	1.09Å	1.10Å
O6	H15	sing	0.97Å	0.95Å
C12	H16	sing	1.09Å	1.10Å
C12	H17	sing	1.09Å	1.10Å
O7	H18	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O4	C7	O3	122.3°	120.0°
O4	C7	C6	118.0°	120.0°
O3	C7	C6	119.7°	120.0°
C7	O3	H21	109.5°	117.0°
C7	C6	C5	120.5°	109.5°
C7	C6	C8	117.6°	109.5°
C7	C6	H20	91.1°	109.5°
C5	C6	C8	121.8°	109.4°
C6	C5	C4	114.9°	109.5°
C6	C5	H8	108.1°	109.5°
C6	C5	H19	108.1°	109.5°
C5	C6	H20	91.1°	109.5°
C6	C8	C9	122.8°	109.5°
C8	C6	H20	91.2°	109.4°
C6	C8	H9	106.1°	109.5°
C6	C8	H10	106.1°	109.5°
C5	C4	O2	110.3°	109.5°
C5	C4	C3	109.4°	109.5°
C5	C4	H6	108.6°	109.5°
C4	C5	H8	108.1°	109.5°
C4	C5	H19	108.1°	109.5°
C8	C9	C3	111.0°	109.5°
C8	C9	C10	111.2°	109.5°
C9	C8	H9	106.0°	109.5°
C9	C8	H10	106.0°	109.5°
C8	C9	H11	108.1°	109.5°
O2	C4	C3	110.5°	109.5°
O2	C4	H6	109.6°	109.5°
C4	O2	H7	109.5°	114.0°
C4	C3	C9	109.0°	109.5°
C4	C3	N1	109.7°	109.5°
C4	C3	H5	108.5°	109.4°
C3	C4	H6	108.4°	109.4°
O6	C11	C10	110.3°	109.5°
O6	C11	C12	111.6°	109.5°
O6	C11	H14	108.4°	109.5°
C11	O6	H15	109.5°	114.0°
C3	C9	C10	111.3°	109.5°
C9	C3	N1	111.6°	109.5°
C9	C3	H5	108.4°	109.4°
C3	C9	H11	107.6°	109.4°
C9	C10	C11	112.4°	109.5°
C9	C10	O5	112.5°	109.5°
C10	C9	H11	107.4°	109.5°
C9	C10	H12	107.1°	109.5°
C10	C11	C12	112.3°	109.5°
C11	C10	O5	108.3°	109.5°
C11	C10	H12	107.6°	109.4°
C10	C11	H14	107.2°	109.5°
C11	C12	O7	111.5°	109.5°
C12	C11	H14	106.9°	109.4°
C11	C12	H16	109.0°	109.5°
C11	C12	H17	109.0°	109.4°
C3	N1	C2	123.7°	120.0°
C3	N1	H4	118.2°	120.0°
N1	C3	H5	109.5°	109.5°
O5	C10	H12	108.7°	109.5°
C10	O5	H13	109.5°	114.0°
O7	C12	H16	109.0°	109.5°
O7	C12	H17	108.9°	109.4°
C12	O7	H18	109.5°	114.0°
N1	C2	O1	121.5°	120.0°
N1	C2	C1	116.6°	120.0°
C2	N1	H4	118.2°	120.0°
O1	C2	C1	121.9°	120.0°
C2	C1	H1	109.5°	109.4°
C2	C1	H2	109.5°	109.5°
C2	C1	H3	109.5°	109.4°
H1	C1	H2	109.4°	109.5°
H1	C1	H3	109.5°	109.5°
H2	C1	H3	109.4°	109.5°
H8	C5	H19	109.4°	109.5°
H9	C8	H10	109.5°	109.4°
H16	C12	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O4	C7	O3	C6	178.8°	179.9°
O4	C7	C6	C5	7.0°	119.9°
O4	C7	C6	C8	176.8°	0.0°
O4	C7	C6	H20	84.9°	120.0°
O4	C7	O3	H21	0.0°	0.1°
O3	C7	C6	C5	174.2°	60.0°
O3	C7	C6	C8	2.1°	179.9°
O3	C7	C6	H20	93.9°	60.1°
C7	C6	C5	C8	176.1°	120.0°
C7	C6	C5	H20	91.9°	120.0°
C7	C6	C8	H20	91.8°	120.0°
C7	C6	C5	C4	162.5°	60.0°
C7	C6	C8	C9	175.2°	60.0°
C7	C6	C5	H8	76.7°	60.0°
C7	C6	C5	H19	41.7°	180.0°
C6	C7	O3	H21	178.8°	180.0°
C7	C6	C8	H9	53.4°	60.0°
C7	C6	C8	H10	63.0°	179.9°
C5	C6	C8	H20	92.0°	120.0°
C6	C5	C4	H8	120.8°	120.0°
C6	C5	C4	H19	120.8°	120.0°
C5	C6	C8	C9	1.0°	60.0°
C6	C5	C4	O2	166.4°	180.0°
C6	C5	C4	C3	44.6°	60.0°
C6	C5	C4	H6	73.5°	60.0°
C6	C5	H8	H19	117.5°	120.0°
C5	C6	C8	H9	122.8°	180.0°
C5	C6	C8	H10	120.9°	60.0°
C8	C6	C5	C4	13.6°	60.0°
C6	C8	C9	H9	121.8°	120.0°
C6	C8	C9	H10	121.8°	120.0°
C6	C8	C9	C3	20.1°	60.0°
C6	C8	C9	C10	144.7°	180.0°
C8	C6	C5	H8	107.2°	180.0°
C8	C6	C5	H19	134.4°	60.0°
C6	C8	H9	H10	114.0°	119.9°
C6	C8	C9	H11	97.7°	60.0°
C5	C4	O2	C3	121.1°	120.0°
C5	C4	O2	H6	119.6°	120.0°
C5	C4	C3	H6	118.3°	120.0°
C5	C4	C3	C9	63.4°	60.0°
C5	C4	C3	N1	174.1°	180.0°
C5	C4	C3	H5	54.5°	60.0°
C5	C4	O2	H7	180.0°	60.0°
C4	C5	H8	H19	117.5°	120.0°
C4	C5	C6	H20	105.7°	180.0°
C8	C9	C3	C4	50.5°	60.0°
C8	C9	C3	C10	124.4°	120.0°
C8	C9	C3	H11	118.1°	120.0°
C8	C9	C10	H11	118.0°	120.0°
C8	C9	C10	C11	52.4°	60.0°
C8	C9	C3	N1	171.8°	180.0°
C8	C9	C10	O5	70.3°	60.0°
C8	C9	C3	H5	67.5°	60.0°
C9	C8	C6	H20	93.0°	180.0°
C9	C8	H9	H10	114.0°	120.0°
C8	C9	C10	H12	170.4°	180.0°
O2	C4	C3	H6	120.1°	120.0°
O2	C4	C3	C9	175.0°	180.0°
O2	C4	C3	N1	52.5°	60.0°
O2	C4	C3	H5	67.1°	60.0°
O2	C4	C5	H8	45.5°	60.0°
O2	C4	C5	H19	72.8°	60.0°
C4	C3	C9	N1	121.3°	120.0°
C4	C3	C9	H5	117.9°	120.0°
C4	C3	C9	C10	174.9°	180.0°
C4	C3	N1	H5	119.0°	120.0°
C4	C3	N1	C2	140.7°	85.0°
C4	C3	N1	H4	39.3°	95.1°
C3	C4	O2	H7	58.9°	180.0°
C3	C4	C5	H8	76.2°	180.0°
C3	C4	C5	H19	165.4°	60.0°
C4	C3	C9	H11	67.7°	60.0°
O6	C11	C10	C9	49.2°	60.0°
O6	C11	C10	C12	125.1°	120.0°
O6	C11	C10	H14	117.8°	120.0°
O6	C11	C12	H14	118.3°	120.0°
O6	C11	C10	O5	174.2°	180.0°
O6	C11	C12	O7	61.7°	65.0°
O6	C11	C10	H12	68.4°	60.0°
O6	C11	C12	H16	58.6°	175.0°
O6	C11	C12	H17	178.0°	55.0°
C3	C9	C10	H11	117.6°	120.0°
C3	C9	C10	C11	176.8°	180.0°
C9	C3	N1	H5	120.1°	120.0°
C3	C9	C10	O5	54.1°	60.0°
C9	C3	N1	C2	98.4°	154.9°
C9	C3	N1	H4	81.6°	25.0°
C9	C3	C4	H6	54.9°	60.0°
C3	C9	C8	H9	142.0°	180.0°
C3	C9	C8	H10	101.7°	60.0°
C3	C9	C10	H12	65.2°	60.0°
C9	C10	C11	O5	125.0°	120.0°
C9	C10	C11	H12	117.7°	120.0°
C9	C10	C11	C12	174.4°	NaN°
C10	C9	C3	N1	63.8°	60.0°
C9	C10	O5	H12	118.4°	120.0°
C10	C9	C3	H5	57.0°	60.0°
C10	C9	C8	H9	93.5°	60.0°
C10	C9	C8	H10	22.8°	60.0°
C9	C10	O5	H13	79.0°	60.1°
C9	C10	C11	H14	68.5°	60.0°
C10	C11	C12	H14	117.3°	120.0°
C11	C10	O5	H12	116.7°	120.0°
C10	C11	C12	O7	62.7°	175.0°
C11	C10	C9	H11	65.6°	60.0°
C11	C10	O5	H13	156.1°	60.0°
C10	C11	O6	H15	180.0°	60.0°
C10	C11	C12	H16	177.0°	55.0°
C10	C11	C12	H17	57.6°	65.1°
C12	C11	C10	O5	60.6°	60.0°
C11	C12	O7	H16	120.3°	120.1°
C11	C12	O7	H17	120.3°	120.0°
C12	C11	C10	H12	56.7°	60.0°
C12	C11	O6	H15	54.5°	60.0°
C11	C12	H16	H17	119.1°	120.0°
C11	C12	O7	H18	180.0°	180.0°
C3	N1	C2	H4	180.0°	179.9°
C3	N1	C2	O1	7.2°	0.1°
C3	N1	C2	C1	172.3°	180.0°
N1	C3	C4	H6	67.6°	60.0°
N1	C3	C9	H11	53.6°	60.0°
O5	C10	C9	H11	171.7°	180.0°
O5	C10	C11	H14	56.5°	60.0°
O7	C12	C11	H14	180.0°	55.0°
O7	C12	H16	H17	119.1°	119.9°
N1	C2	O1	C1	179.4°	179.9°
N1	C2	C1	H1	179.4°	179.9°
N1	C2	C1	H2	59.5°	59.9°
N1	C2	C1	H3	60.5°	60.1°
C2	N1	C3	H5	21.7°	35.0°
O1	C2	C1	H1	0.0°	0.1°
O1	C2	C1	H2	120.0°	119.9°
O1	C2	C1	H3	120.0°	120.0°
O1	C2	N1	H4	172.8°	180.0°
C2	C1	H1	H2	120.0°	120.0°
C2	C1	H1	H3	120.0°	119.9°
C2	C1	H2	H3	120.0°	120.0°
C1	C2	N1	H4	7.7°	0.1°
H1	C1	H2	H3	120.0°	120.0°
H4	N1	C3	H5	158.3°	144.9°
H5	C3	C4	H6	172.8°	180.0°
H5	C3	C9	H11	174.4°	NaN°
H6	C4	O2	H7	60.4°	60.0°
H6	C4	C5	H8	165.6°	60.0°
H6	C4	C5	H19	47.3°	180.0°
H8	C5	C6	H20	15.2°	60.1°
H19	C5	C6	H20	133.6°	60.0°
H20	C6	C8	H9	145.2°	60.0°
H20	C6	C8	H10	28.9°	59.9°
H9	C8	C9	H11	24.1°	60.0°
H10	C8	C9	H11	140.4°	180.0°
H11	C9	C10	H12	52.3°	60.0°
H12	C10	O5	H13	39.4°	179.9°
H12	C10	C11	H14	173.8°	180.0°
H14	C11	O6	H15	62.9°	180.0°
H14	C11	C12	H16	59.7°	65.0°
H14	C11	C12	H17	59.7°	174.9°
H16	C12	O7	H18	59.7°	59.9°
H17	C12	O7	H18	59.7°	60.1°

Release date:	2020-10-21
Definition date:	2020-09-18
Last modified:	2020-10-16
Release status:	REL
Processing site:	PDBE
Derived from:	7AEY