5M7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O19	C17	doub	1.22Å	1.37Å
O18	C17	sing	1.35Å	1.23Å
C21	C24	sing	1.53Å	1.53Å
C21	N20	sing	1.47Å	1.46Å
C24	C25	sing	1.53Å	1.52Å
C17	C3	sing	1.47Å	1.47Å
N20	C22	sing	1.47Å	1.47Å
N20	C2	sing	1.38Å	1.45Å
C22	C23	sing	1.53Å	1.54Å
C25	C23	sing	1.53Å	1.51Å
C3	C2	doub	1.41Å	1.47Å	Aromatic
C3	C4	sing	1.40Å	1.38Å	Aromatic
C14	C16	doub	1.38Å	1.39Å	Aromatic
C14	C13	sing	1.38Å	1.40Å	Aromatic
C16	C15	sing	1.38Å	1.40Å	Aromatic
C2	N1	sing	1.32Å	1.34Å	Aromatic
C13	C11	doub	1.40Å	1.41Å	Aromatic
C15	C12	doub	1.38Å	1.39Å	Aromatic
C11	C12	sing	1.40Å	1.41Å	Aromatic
C11	C4	sing	1.48Å	1.47Å
C4	C6	doub	1.42Å	1.44Å	Aromatic
N1	C5	doub	1.34Å	1.37Å	Aromatic
C6	C5	sing	1.42Å	1.42Å	Aromatic
C6	C7	sing	1.40Å	1.41Å	Aromatic
C5	C10	sing	1.41Å	1.43Å	Aromatic
C7	C8	doub	1.36Å	1.37Å	Aromatic
C10	C9	doub	1.36Å	1.37Å	Aromatic
C8	C9	sing	1.39Å	1.42Å	Aromatic
C8	CL1	sing	1.74Å	1.70Å
C7	H1	sing	1.08Å	1.08Å
C9	H2	sing	1.08Å	1.08Å
C10	H3	sing	1.08Å	1.08Å
C12	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.08Å	1.08Å
C14	H6	sing	1.08Å	1.08Å
C15	H7	sing	1.08Å	1.08Å
C16	H8	sing	1.08Å	1.08Å
O18	H9	sing	0.97Å	0.95Å
C21	H10	sing	1.09Å	1.10Å
C21	H11	sing	1.09Å	1.10Å
C22	H12	sing	1.09Å	1.10Å
C22	H13	sing	1.09Å	1.10Å
C23	H14	sing	1.09Å	1.10Å
C23	H15	sing	1.09Å	1.10Å
C24	H16	sing	1.09Å	1.10Å
C24	H17	sing	1.09Å	1.10Å
C25	H18	sing	1.09Å	1.10Å
C25	H19	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O19	C17	O18	119.3°	120.0°
O19	C17	C3	111.8°	120.0°
O18	C17	C3	128.8°	120.0°
C17	O18	H9	109.5°	117.0°
C24	C21	N20	111.6°	109.5°
C21	C24	C25	110.8°	109.3°
C24	C21	H10	108.9°	109.5°
C24	C21	H11	108.9°	109.4°
C21	C24	H16	109.1°	109.5°
C21	C24	H17	109.1°	109.6°
C21	N20	C22	111.3°	111.2°
C21	N20	C2	114.8°	110.9°
N20	C21	H10	109.0°	109.5°
N20	C21	H11	109.0°	109.5°
C24	C25	C23	110.1°	109.2°
C25	C24	H16	109.1°	109.5°
C25	C24	H17	109.2°	109.5°
C24	C25	H18	109.3°	109.5°
C24	C25	H19	109.3°	109.5°
C17	C3	C2	120.5°	120.4°
C17	C3	C4	120.2°	120.4°
C22	N20	C2	111.0°	111.0°
N20	C22	C23	111.5°	109.5°
N20	C22	H12	109.0°	109.5°
N20	C22	H13	108.9°	109.4°
N20	C2	C3	118.7°	119.3°
N20	C2	N1	120.1°	119.3°
C22	C23	C25	110.5°	109.3°
C23	C22	H12	109.0°	109.5°
C23	C22	H13	109.0°	109.4°
C22	C23	H14	109.2°	109.5°
C22	C23	H15	109.2°	109.5°
C25	C23	H14	109.2°	109.5°
C25	C23	H15	109.2°	109.6°
C23	C25	H18	109.3°	109.5°
C23	C25	H19	109.3°	109.5°
C2	C3	C4	119.3°	119.2°
C3	C2	N1	121.1°	121.4°
C3	C4	C11	121.0°	121.1°
C3	C4	C6	119.2°	117.8°
C16	C14	C13	120.1°	120.2°
C14	C16	C15	121.0°	120.3°
C16	C14	H6	120.0°	119.9°
C14	C16	H8	119.5°	119.9°
C14	C13	C11	119.0°	119.9°
C14	C13	H5	120.5°	120.1°
C13	C14	H6	120.0°	120.0°
C16	C15	C12	119.7°	120.1°
C16	C15	H7	120.1°	119.9°
C15	C16	H8	119.5°	119.8°
C2	N1	C5	119.7°	122.0°
C13	C11	C12	120.2°	119.7°
C13	C11	C4	122.9°	120.1°
C11	C13	H5	120.5°	120.1°
C15	C12	C11	120.1°	119.9°
C15	C12	H4	120.0°	120.1°
C12	C15	H7	120.2°	119.9°
C12	C11	C4	117.0°	120.2°
C11	C12	H4	120.0°	120.1°
C11	C4	C6	119.8°	121.1°
C4	C6	C5	118.0°	119.2°
C4	C6	C7	121.0°	121.1°
N1	C5	C6	122.7°	120.4°
N1	C5	C10	119.3°	120.7°
C5	C6	C7	121.0°	119.7°
C6	C5	C10	118.0°	119.0°
C6	C7	C8	119.4°	119.7°
C6	C7	H1	120.3°	120.2°
C5	C10	C9	120.2°	119.9°
C5	C10	H3	119.9°	120.1°
C7	C8	C9	120.9°	120.7°
C7	C8	CL1	119.7°	119.6°
C8	C7	H1	120.3°	120.2°
C10	C9	C8	120.5°	121.0°
C10	C9	H2	119.7°	119.5°
C9	C10	H3	119.9°	120.1°
C9	C8	CL1	119.4°	119.6°
C8	C9	H2	119.7°	119.5°
H10	C21	H11	109.5°	109.5°
H12	C22	H13	109.5°	109.5°
H14	C23	H15	109.4°	109.6°
H16	C24	H17	109.5°	109.6°
H18	C25	H19	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O19	C17	O18	C3	177.8°	180.0°
O19	C17	C3	C2	62.4°	86.3°
O19	C17	C3	C4	117.0°	93.7°
O19	C17	O18	H9	0.0°	0.0°
O18	C17	C3	C2	119.7°	93.7°
O18	C17	C3	C4	60.9°	86.2°
C24	C21	N20	H10	120.3°	120.0°
C24	C21	N20	H11	120.3°	119.9°
C21	C24	C25	H16	120.2°	119.9°
C21	C24	C25	H17	120.2°	120.0°
C24	C21	N20	C22	40.9°	61.8°
C24	C21	N20	C2	86.3°	174.1°
C21	C24	C25	C23	63.5°	57.7°
C24	C21	H10	H11	119.0°	120.0°
C21	C24	H16	H17	119.4°	120.2°
C21	C24	C25	H18	56.6°	177.5°
C21	C24	C25	H19	176.4°	62.2°
N20	C21	C24	C25	21.9°	59.2°
C21	N20	C22	C2	129.2°	124.0°
C21	N20	C22	C23	66.1°	61.8°
C21	N20	C2	C3	43.9°	118.5°
C21	N20	C2	N1	137.5°	61.6°
N20	C21	H10	H11	119.1°	120.0°
C21	N20	C22	H12	54.2°	178.2°
C21	N20	C22	H13	173.6°	58.2°
N20	C21	C24	H16	142.1°	179.1°
N20	C21	C24	H17	98.3°	60.7°
C24	C25	C23	C22	38.9°	57.6°
C24	C25	C23	H18	120.1°	119.9°
C24	C25	C23	H19	120.1°	119.9°
C25	C24	C21	H10	142.2°	60.8°
C25	C24	C21	H11	98.5°	179.2°
C24	C25	C23	H14	81.3°	62.2°
C24	C25	C23	H15	159.1°	177.6°
C25	C24	H16	H17	119.4°	120.1°
C24	C25	H18	H19	119.7°	120.2°
C17	C3	C2	N20	0.1°	0.0°
C17	C3	C2	C4	179.4°	180.0°
C17	C3	C2	N1	178.7°	180.0°
C17	C3	C4	C11	1.8°	0.0°
C17	C3	C4	C6	179.4°	179.9°
C3	C17	O18	H9	177.8°	180.0°
N20	C22	C23	H12	120.3°	120.0°
N20	C22	C23	H13	120.3°	119.9°
N20	C22	C23	C25	22.7°	59.1°
C22	N20	C2	C3	171.2°	117.3°
C22	N20	C2	N1	10.2°	62.6°
C22	N20	C21	H10	79.4°	58.2°
C22	N20	C21	H11	161.2°	178.3°
N20	C22	H12	H13	119.1°	120.0°
N20	C22	C23	H14	142.9°	60.7°
N20	C22	C23	H15	97.4°	179.2°
C2	N20	C22	C23	63.1°	174.2°
N20	C2	C3	N1	178.6°	179.9°
N20	C2	C3	C4	179.3°	179.9°
N20	C2	N1	C5	179.2°	179.9°
C2	N20	C21	H10	153.4°	65.8°
C2	N20	C21	H11	34.1°	54.2°
C2	N20	C22	H12	176.6°	54.2°
C2	N20	C22	H13	57.2°	65.9°
C22	C23	C25	H14	120.2°	119.9°
C22	C23	C25	H15	120.2°	120.0°
C23	C22	H12	H13	119.1°	120.0°
C22	C23	H14	H15	119.5°	120.1°
C22	C23	C25	H18	81.2°	177.5°
C22	C23	C25	H19	159.0°	62.3°
C25	C23	C22	H12	97.6°	179.2°
C25	C23	C22	H13	143.0°	60.8°
C25	C23	H14	H15	119.5°	120.2°
C23	C25	C24	H16	176.4°	177.6°
C23	C25	C24	H17	56.7°	62.3°
C23	C25	H18	H19	119.7°	120.1°
C2	C3	C4	C11	178.8°	180.0°
C2	C3	C4	C6	0.0°	0.0°
C3	C2	N1	C5	0.7°	0.0°
C4	C3	C2	N1	0.7°	0.0°
C3	C4	C11	C13	77.8°	115.3°
C3	C4	C11	C12	101.5°	65.0°
C3	C4	C11	C6	178.8°	179.9°
C3	C4	C6	C5	0.7°	0.0°
C3	C4	C6	C7	179.6°	180.0°
C16	C14	C13	H6	180.0°	179.8°
C14	C16	C15	H8	180.0°	179.8°
C16	C14	C13	C11	0.8°	0.0°
C14	C16	C15	C12	0.1°	0.5°
C16	C14	C13	H5	179.2°	180.0°
C14	C16	C15	H7	179.9°	180.0°
C13	C14	C16	C15	0.8°	0.2°
C14	C13	C11	H5	180.0°	180.0°
C14	C13	C11	C12	0.3°	0.0°
C14	C13	C11	C4	179.0°	179.7°
C13	C14	C16	H8	179.2°	180.0°
C16	C15	C12	H7	180.0°	179.5°
C16	C15	C12	C11	0.5°	0.5°
C16	C15	C12	H4	179.5°	179.5°
C15	C16	C14	H6	179.2°	180.0°
C2	N1	C5	C6	0.1°	0.1°
C2	N1	C5	C10	179.5°	180.0°
C13	C11	C12	C15	0.4°	0.3°
C13	C11	C12	C4	179.4°	179.7°
C13	C11	C4	C6	103.4°	64.7°
C13	C11	C12	H4	179.6°	179.8°
C11	C13	C14	H6	179.1°	179.7°
C15	C12	C11	H4	180.0°	179.9°
C15	C12	C11	C4	179.7°	180.0°
C12	C15	C16	H8	179.9°	179.7°
C12	C11	C4	C6	77.3°	115.0°
C12	C11	C13	H5	179.7°	179.9°
C11	C12	C15	H7	179.5°	180.0°
C11	C4	C6	C5	179.5°	180.0°
C11	C4	C6	C7	0.9°	0.1°
C4	C11	C12	H4	0.2°	0.1°
C4	C11	C13	H5	1.0°	0.3°
C4	C6	C5	N1	0.8°	0.0°
C4	C6	C5	C7	179.7°	179.9°
C4	C6	C5	C10	179.8°	179.9°
C4	C6	C7	C8	179.7°	179.9°
C4	C6	C7	H1	0.3°	0.0°
N1	C5	C6	C10	179.4°	179.9°
N1	C5	C6	C7	179.5°	179.9°
N1	C5	C10	C9	179.5°	179.9°
N1	C5	C10	H3	0.5°	0.0°
C5	C6	C7	C8	0.0°	0.0°
C6	C5	C10	C9	0.0°	0.0°
C5	C6	C7	H1	180.0°	180.0°
C6	C5	C10	H3	179.9°	179.9°
C7	C6	C5	C10	0.1°	0.0°
C6	C7	C8	H1	180.0°	179.9°
C6	C7	C8	C9	0.2°	0.0°
C6	C7	C8	CL1	179.2°	180.0°
C5	C10	C9	H3	180.0°	179.9°
C5	C10	C9	C8	0.2°	0.0°
C5	C10	C9	H2	179.8°	180.0°
C7	C8	C9	C10	0.3°	0.0°
C7	C8	C9	CL1	179.4°	180.0°
C7	C8	C9	H2	179.7°	180.0°
C10	C9	C8	H2	180.0°	180.0°
C10	C9	C8	CL1	179.1°	180.0°
C9	C8	C7	H1	179.9°	180.0°
C8	C9	C10	H3	179.9°	179.9°
CL1	C8	C7	H1	0.8°	0.1°
CL1	C8	C9	H2	0.9°	0.0°
H2	C9	C10	H3	0.1°	0.1°
H4	C12	C15	H7	0.5°	0.0°
H5	C13	C14	H6	0.8°	0.2°
H6	C14	C16	H8	0.8°	0.2°
H7	C15	C16	H8	0.1°	0.2°
H10	C21	C24	H16	97.6°	59.1°
H10	C21	C24	H17	22.0°	179.3°
H11	C21	C24	H16	21.7°	60.9°
H11	C21	C24	H17	141.3°	59.2°
H12	C22	C23	H14	22.6°	59.3°
H12	C22	C23	H15	142.2°	60.8°
H13	C22	C23	H14	96.8°	179.3°
H13	C22	C23	H15	22.8°	59.2°
H14	C23	C25	H18	158.6°	57.6°
H14	C23	C25	H19	38.8°	177.9°
H15	C23	C25	H18	39.0°	62.5°
H15	C23	C25	H19	80.8°	57.7°
H16	C24	C25	H18	63.6°	62.6°
H16	C24	C25	H19	56.3°	57.7°
H17	C24	C25	H18	176.8°	57.5°
H17	C24	C25	H19	63.4°	177.8°

Release date:	2016-03-09
Definition date:	2015-10-22
Last modified:	2016-03-04
Release status:	REL
Processing site:	EBI
Derived from:	5EDC