8CD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O4	C18	doub	1.22Å	1.23Å
N3	C18	sing	1.35Å	1.37Å
C18	C17	sing	1.48Å	1.49Å
C17	C16	doub	1.39Å	1.38Å	Aromatic
C17	C4	sing	1.41Å	1.43Å	Aromatic
C16	C7	sing	1.40Å	1.42Å	Aromatic
O1	C4	sing	1.36Å	1.36Å
O1	C2	sing	1.43Å	1.42Å
C4	C5	doub	1.37Å	1.38Å	Aromatic
C3	C2	sing	1.53Å	1.53Å
C7	C8	doub	1.41Å	1.42Å	Aromatic
C7	C6	sing	1.42Å	1.40Å	Aromatic
C8	C9	sing	1.36Å	1.37Å	Aromatic
C2	C1	sing	1.53Å	1.53Å
C5	C6	sing	1.40Å	1.41Å	Aromatic
C6	C10	doub	1.41Å	1.44Å	Aromatic
C9	N1	doub	1.33Å	1.38Å	Aromatic
C10	N1	sing	1.32Å	1.34Å	Aromatic
C10	O2	sing	1.35Å	1.36Å
O2	C11	sing	1.43Å	1.41Å
O3	C15	doub	1.21Å	1.23Å
C15	C14	sing	1.51Å	1.51Å
C15	N2	sing	1.34Å	1.39Å
C11	C12	sing	1.53Å	1.55Å
C14	C13	sing	1.55Å	1.54Å
N2	C12	sing	1.47Å	1.47Å
C12	C13	sing	1.54Å	1.55Å
N3	H21	sing	0.97Å	1.00Å
N3	H20	sing	0.97Å	1.00Å
N2	H18	sing	0.97Å	1.00Å
C9	H11	sing	1.08Å	1.08Å
C13	H14	sing	1.09Å	1.10Å
C13	H15	sing	1.09Å	1.10Å
C8	H10	sing	1.08Å	1.08Å
C16	H19	sing	1.08Å	1.08Å
C2	H5	sing	1.09Å	1.10Å
C3	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C3	H8	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
C1	H2	sing	1.09Å	1.10Å
C1	H3	sing	1.09Å	1.10Å
C5	H9	sing	1.08Å	1.08Å
C11	H12	sing	1.09Å	1.10Å
C11	H13	sing	1.09Å	1.10Å
C12	H1	sing	1.09Å	1.10Å
C14	H16	sing	1.09Å	1.10Å
C14	H17	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O4	C18	N3	118.7°	120.0°
O4	C18	C17	121.2°	120.0°
N3	C18	C17	120.0°	119.9°
C18	N3	H21	120.0°	120.0°
C18	N3	H20	120.0°	119.9°
C18	C17	C16	116.8°	119.8°
C18	C17	C4	124.6°	119.7°
C16	C17	C4	118.6°	120.4°
C17	C16	C7	121.1°	119.3°
C17	C16	H19	119.4°	120.3°
C17	C4	O1	115.6°	119.7°
C17	C4	C5	121.4°	120.7°
C16	C7	C8	122.0°	121.9°
C16	C7	C6	119.0°	119.8°
C7	C16	H19	119.4°	120.3°
C4	O1	C2	118.5°	117.0°
O1	C4	C5	123.0°	119.6°
O1	C2	C3	104.8°	109.5°
O1	C2	C1	107.8°	109.5°
O1	C2	H5	112.1°	109.5°
C4	C5	C6	119.3°	119.8°
C4	C5	H9	120.3°	120.1°
C3	C2	C1	111.1°	109.5°
C3	C2	H5	110.5°	109.4°
C2	C3	H6	109.5°	109.4°
C2	C3	H7	109.5°	109.5°
C2	C3	H8	109.4°	109.4°
C8	C7	C6	119.0°	118.2°
C7	C8	C9	119.2°	118.8°
C7	C8	H10	120.4°	120.6°
C7	C6	C5	120.5°	119.8°
C7	C6	C10	116.5°	118.5°
C8	C9	N1	124.1°	122.0°
C8	C9	H11	117.9°	119.0°
C9	C8	H10	120.4°	120.6°
C1	C2	H5	110.4°	109.4°
C2	C1	H4	109.5°	109.5°
C2	C1	H2	109.5°	109.5°
C2	C1	H3	109.5°	109.5°
C5	C6	C10	123.0°	121.7°
C6	C5	H9	120.3°	120.1°
C6	C10	N1	125.5°	119.8°
C6	C10	O2	113.7°	120.1°
C9	N1	C10	115.7°	122.7°
N1	C9	H11	117.9°	119.0°
N1	C10	O2	120.8°	120.1°
C10	O2	C11	118.8°	117.0°
O2	C11	C12	103.9°	109.5°
O2	C11	H12	110.8°	109.5°
O2	C11	H13	110.9°	109.4°
O3	C15	C14	127.4°	124.9°
O3	C15	N2	123.3°	124.9°
C14	C15	N2	109.3°	110.2°
C15	C14	C13	105.5°	104.1°
C15	C14	H16	110.4°	110.5°
C15	C14	H17	110.5°	110.4°
C15	N2	C12	113.0°	111.3°
C15	N2	H18	123.5°	124.4°
C11	C12	N2	112.0°	110.2°
C11	C12	C13	112.7°	110.3°
C12	C11	H12	110.8°	109.5°
C12	C11	H13	110.8°	109.4°
C11	C12	H1	108.8°	110.2°
C14	C13	C12	106.1°	101.7°
C14	C13	H14	110.3°	111.3°
C14	C13	H15	110.3°	110.7°
C13	C14	H16	110.5°	110.4°
C13	C14	H17	110.5°	110.7°
N2	C12	C13	104.6°	105.5°
C12	N2	H18	123.5°	124.4°
N2	C12	H1	110.0°	110.2°
C12	C13	H14	110.3°	111.0°
C12	C13	H15	110.3°	111.0°
C13	C12	H1	108.8°	110.3°
H21	N3	H20	120.0°	120.0°
H14	C13	H15	109.5°	110.8°
H6	C3	H7	109.4°	109.5°
H6	C3	H8	109.5°	109.5°
H7	C3	H8	109.5°	109.5°
H4	C1	H2	109.4°	109.4°
H4	C1	H3	109.5°	109.6°
H2	C1	H3	109.5°	109.4°
H12	C11	H13	109.5°	109.5°
H16	C14	H17	109.5°	110.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O4	C18	N3	C17	178.0°	180.0°
O4	C18	C17	C16	13.9°	180.0°
O4	C18	C17	C4	166.2°	0.1°
O4	C18	N3	H21	0.0°	179.9°
O4	C18	N3	H20	180.0°	0.3°
N3	C18	C17	C16	164.1°	0.0°
N3	C18	C17	C4	15.8°	179.9°
C18	N3	H21	H20	180.0°	179.7°
C18	C17	C16	C4	179.9°	179.9°
C18	C17	C16	C7	177.3°	180.0°
C18	C17	C4	O1	1.4°	0.3°
C18	C17	C4	C5	179.3°	180.0°
C17	C18	N3	H21	178.0°	0.0°
C17	C18	N3	H20	2.0°	179.7°
C18	C17	C16	H19	2.7°	0.0°
C17	C16	C7	H19	180.0°	180.0°
C16	C17	C4	O1	178.5°	179.7°
C16	C17	C4	C5	0.6°	0.1°
C17	C16	C7	C8	176.2°	180.0°
C17	C16	C7	C6	2.2°	0.1°
C4	C17	C16	C7	2.6°	0.1°
C17	C4	O1	C5	177.8°	179.7°
C17	C4	O1	C2	177.3°	174.8°
C17	C4	C5	C6	1.8°	0.1°
C4	C17	C16	H19	177.4°	180.0°
C17	C4	C5	H9	178.2°	180.0°
C16	C7	C8	C6	178.4°	180.0°
C16	C7	C8	C9	178.5°	180.0°
C16	C7	C6	C5	0.2°	0.0°
C16	C7	C6	C10	177.3°	180.0°
C16	C7	C8	H10	1.5°	0.0°
C4	O1	C2	C3	156.2°	155.2°
C4	O1	C2	C1	85.4°	84.8°
O1	C4	C5	C6	175.9°	179.7°
C4	O1	C2	H5	36.4°	35.2°
O1	C4	C5	H9	4.1°	0.3°
C2	O1	C4	C5	4.9°	5.6°
O1	C2	C3	C1	116.2°	120.0°
O1	C2	C3	H5	120.9°	120.0°
O1	C2	C1	H5	122.8°	120.0°
O1	C2	C3	H6	180.0°	60.0°
O1	C2	C3	H7	60.0°	180.0°
O1	C2	C3	H8	60.0°	60.0°
O1	C2	C1	H4	180.0°	60.0°
O1	C2	C1	H2	60.0°	180.0°
O1	C2	C1	H3	60.0°	60.1°
C4	C5	C6	C7	2.2°	0.0°
C4	C5	C6	H9	180.0°	180.0°
C4	C5	C6	C10	175.2°	180.0°
C3	C2	C1	H5	122.9°	119.9°
C2	C3	H6	H7	120.0°	120.0°
C2	C3	H6	H8	120.0°	119.9°
C2	C3	H7	H8	120.0°	120.0°
C3	C2	C1	H4	65.7°	179.9°
C3	C2	C1	H2	54.3°	60.0°
C3	C2	C1	H3	174.3°	60.0°
C7	C8	C9	H10	180.0°	180.0°
C8	C7	C6	C5	178.7°	180.0°
C8	C7	C6	C10	1.2°	0.0°
C7	C8	C9	N1	1.4°	0.0°
C7	C8	C9	H11	178.6°	180.0°
C8	C7	C16	H19	3.8°	0.0°
C6	C7	C8	C9	0.1°	0.0°
C7	C6	C5	C10	177.4°	179.9°
C7	C6	C10	N1	1.4°	0.0°
C7	C6	C10	O2	178.4°	180.0°
C6	C7	C8	H10	179.9°	180.0°
C6	C7	C16	H19	177.8°	180.0°
C7	C6	C5	H9	177.8°	180.0°
C8	C9	N1	H11	180.0°	180.0°
C8	C9	N1	C10	1.2°	0.0°
C1	C2	C3	H6	63.8°	60.0°
C1	C2	C3	H7	176.2°	60.0°
C1	C2	C3	H8	56.1°	180.0°
C2	C1	H4	H2	120.0°	120.0°
C2	C1	H4	H3	120.0°	120.0°
C2	C1	H2	H3	120.0°	120.0°
C5	C6	C10	N1	178.9°	179.9°
C5	C6	C10	O2	1.0°	0.1°
C6	C10	N1	C9	0.2°	0.0°
C6	C10	N1	O2	179.8°	180.0°
C6	C10	O2	C11	166.3°	180.0°
C10	C6	C5	H9	4.8°	0.0°
C9	N1	C10	O2	179.6°	180.0°
N1	C9	C8	H10	178.6°	180.0°
N1	C10	O2	C11	13.6°	0.0°
C10	N1	C9	H11	178.8°	180.0°
C10	O2	C11	C12	176.8°	180.0°
C10	O2	C11	H12	64.1°	60.0°
C10	O2	C11	H13	57.8°	60.1°
O2	C11	C12	H12	119.1°	120.0°
O2	C11	C12	H13	119.1°	119.9°
O2	C11	C12	N2	58.6°	66.5°
O2	C11	C12	C13	59.0°	177.5°
O2	C11	H12	H13	122.6°	120.0°
O2	C11	C12	H1	179.7°	55.4°
O3	C15	C14	N2	179.4°	179.9°
O3	C15	C14	C13	178.7°	163.7°
O3	C15	N2	C12	173.3°	179.4°
O3	C15	N2	H18	6.7°	0.2°
O3	C15	C14	H16	59.3°	45.3°
O3	C15	C14	H17	61.9°	77.4°
C15	C14	C13	H16	119.4°	118.5°
C15	C14	C13	H17	119.4°	118.7°
C14	C15	N2	C12	7.3°	0.4°
C15	C14	C13	C12	7.7°	25.1°
C14	C15	N2	H18	172.7°	179.9°
C15	C14	C13	H14	111.8°	93.1°
C15	C14	C13	H15	127.1°	143.1°
C15	C14	H16	H17	121.8°	122.6°
C15	N2	C12	C11	110.4°	136.3°
N2	C15	C14	C13	0.7°	16.4°
C15	N2	C12	H18	180.0°	179.7°
C15	N2	C12	C13	11.9°	17.3°
C15	N2	C12	H1	128.5°	101.8°
N2	C15	C14	H16	120.0°	134.9°
N2	C15	C14	H17	118.7°	102.4°
C11	C12	C13	C14	110.4°	144.8°
C11	C12	N2	C13	122.3°	119.0°
C11	C12	N2	H1	121.1°	121.9°
C11	C12	C13	H1	120.6°	122.0°
C11	C12	N2	H18	69.6°	44.0°
C11	C12	C13	H14	130.2°	26.3°
C11	C12	C13	H15	9.1°	97.4°
C12	C11	H12	H13	122.5°	120.0°
C14	C13	C12	N2	11.6°	25.8°
C14	C13	C12	H14	119.5°	118.5°
C14	C13	C12	H15	119.5°	117.8°
C14	C13	H14	H15	121.5°	123.7°
C14	C13	C12	H1	129.0°	93.2°
C13	C14	H16	H17	121.9°	122.9°
N2	C12	C13	H1	117.4°	119.0°
N2	C12	C13	H14	107.9°	92.7°
N2	C12	C13	H15	131.0°	143.6°
N2	C12	C11	H12	177.7°	53.5°
N2	C12	C11	H13	60.5°	173.6°
C13	C12	N2	H18	168.1°	163.0°
C12	C13	H14	H15	121.5°	123.8°
C13	C12	C11	H12	60.1°	62.5°
C13	C12	C11	H13	178.1°	57.5°
C12	C13	C14	H16	127.0°	143.6°
C12	C13	C14	H17	111.7°	93.6°
H18	N2	C12	H1	51.5°	77.9°
H11	C9	C8	H10	1.4°	0.0°
H14	C13	C12	H1	9.5°	148.3°
H14	C13	C14	H16	7.5°	25.4°
H14	C13	C14	H17	128.8°	148.2°
H15	C13	C12	H1	111.5°	24.5°
H15	C13	C14	H16	113.5°	98.3°
H15	C13	C14	H17	7.8°	24.5°
H5	C2	C3	H6	59.1°	180.0°
H5	C2	C3	H7	60.9°	60.0°
H5	C2	C3	H8	179.1°	60.1°
H5	C2	C1	H4	57.3°	60.0°
H5	C2	C1	H2	177.2°	60.0°
H5	C2	C1	H3	62.8°	179.9°
H6	C3	H7	H8	120.0°	120.0°
H4	C1	H2	H3	120.0°	120.1°
H12	C11	C12	H1	60.5°	175.4°
H13	C11	C12	H1	61.2°	64.5°

Release date:	2017-05-24
Definition date:	2017-01-18
Last modified:	2017-05-19
Release status:	REL
Processing site:	RCSB
Derived from:	5UIT