M15

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O20	C19	doub	1.21Å	1.25Å
C18	C19	sing	1.51Å	1.52Å
C18	O17	sing	1.43Å	1.41Å
CL2	C15	sing	1.74Å	1.76Å
C19	O21	sing	1.34Å	1.25Å
C13	C15	doub	1.38Å	1.39Å	Aromatic
C13	C11	sing	1.39Å	1.39Å	Aromatic
O17	C11	sing	1.36Å	1.36Å
C15	C14	sing	1.39Å	1.38Å	Aromatic
C11	C10	doub	1.40Å	1.39Å	Aromatic
C14	C12	doub	1.38Å	1.38Å	Aromatic
C10	C12	sing	1.40Å	1.39Å	Aromatic
C10	C9	sing	1.47Å	1.50Å
N8	C9	sing	1.35Å	1.33Å
N8	C7	sing	1.47Å	1.45Å
C9	O16	doub	1.22Å	1.22Å
C7	C1	sing	1.51Å	1.53Å
C1	C3	doub	1.38Å	1.39Å	Aromatic
C1	C2	sing	1.38Å	1.38Å	Aromatic
C3	C5	sing	1.38Å	1.39Å	Aromatic
F24	C2	sing	1.35Å	1.34Å
C2	C4	doub	1.38Å	1.39Å	Aromatic
C5	C6	doub	1.38Å	1.39Å	Aromatic
C4	C6	sing	1.38Å	1.38Å	Aromatic
C6	I23	sing	2.10Å	2.07Å
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C7	H4	sing	1.09Å	1.10Å
C7	H5	sing	1.09Å	1.10Å
N8	H6	sing	0.97Å	1.00Å
C12	H7	sing	1.08Å	1.08Å
C14	H8	sing	1.08Å	1.08Å
C13	H9	sing	1.08Å	1.08Å
C18	H10	sing	1.09Å	1.10Å
C18	H11	sing	1.09Å	1.10Å
O21	H12	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O20	C19	C18	115.5°	120.0°
O20	C19	O21	125.8°	120.0°
C19	C18	O17	110.4°	109.5°
C18	C19	O21	118.7°	119.9°
C19	C18	H10	109.2°	109.5°
C19	C18	H11	109.2°	109.5°
C18	O17	C11	120.5°	117.0°
O17	C18	H10	109.2°	109.5°
O17	C18	H11	109.2°	109.5°
CL2	C15	C13	118.1°	119.8°
CL2	C15	C14	119.2°	119.8°
C19	O21	H12	109.5°	117.0°
C15	C13	C11	118.7°	120.1°
C13	C15	C14	122.7°	120.4°
C15	C13	H9	120.6°	119.9°
C13	C11	O17	121.6°	120.2°
C13	C11	C10	119.9°	119.7°
C11	C13	H9	120.6°	120.0°
O17	C11	C10	118.5°	120.1°
C15	C14	C12	117.5°	120.3°
C15	C14	H8	121.3°	119.9°
C11	C10	C12	119.3°	119.6°
C11	C10	C9	123.9°	120.2°
C14	C12	C10	121.9°	119.9°
C14	C12	H7	119.1°	120.0°
C12	C14	H8	121.3°	119.9°
C12	C10	C9	116.6°	120.2°
C10	C12	H7	119.0°	120.1°
C10	C9	N8	117.2°	120.0°
C10	C9	O16	121.4°	120.0°
C9	N8	C7	122.4°	120.0°
N8	C9	O16	121.0°	120.0°
C9	N8	H6	118.8°	120.0°
N8	C7	C1	109.5°	109.5°
N8	C7	H4	109.4°	109.5°
N8	C7	H5	109.4°	109.5°
C7	N8	H6	118.8°	120.0°
C7	C1	C3	122.7°	120.0°
C7	C1	C2	118.8°	120.0°
C1	C7	H4	109.5°	109.5°
C1	C7	H5	109.5°	109.5°
C3	C1	C2	118.4°	120.0°
C1	C3	C5	120.4°	120.0°
C1	C3	H3	119.8°	120.0°
C1	C2	F24	118.7°	120.0°
C1	C2	C4	122.2°	120.0°
C3	C5	C6	119.5°	120.1°
C3	C5	H2	120.2°	119.9°
C5	C3	H3	119.8°	120.0°
F24	C2	C4	119.1°	120.0°
C2	C4	C6	118.2°	119.9°
C2	C4	H1	120.9°	120.0°
C5	C6	C4	121.2°	120.0°
C5	C6	I23	119.0°	120.0°
C6	C5	H2	120.3°	120.0°
C4	C6	I23	119.5°	120.0°
C6	C4	H1	120.9°	120.0°
H4	C7	H5	109.5°	109.5°
H10	C18	H11	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O20	C19	C18	O21	178.9°	180.0°
O20	C19	C18	O17	165.8°	0.0°
O20	C19	C18	H10	74.1°	120.0°
O20	C19	C18	H11	45.6°	120.0°
O20	C19	O21	H12	0.0°	0.0°
C19	C18	O17	H10	120.1°	120.0°
C19	C18	O17	H11	120.1°	120.0°
C19	C18	O17	C11	74.8°	180.0°
C19	C18	H10	H11	119.6°	120.0°
C18	C19	O21	H12	178.8°	180.0°
O17	C18	C19	O21	15.4°	180.0°
C18	O17	C11	C13	19.7°	0.1°
C18	O17	C11	C10	162.7°	179.5°
O17	C18	H10	H11	119.6°	120.0°
CL2	C15	C13	C14	179.8°	179.9°
CL2	C15	C13	C11	180.0°	179.7°
CL2	C15	C14	C12	179.7°	180.0°
CL2	C15	C14	H8	0.3°	0.0°
CL2	C15	C13	H9	0.0°	0.1°
O21	C19	C18	H10	104.8°	60.0°
O21	C19	C18	H11	135.5°	60.0°
C15	C13	C11	H9	180.0°	179.8°
C15	C13	C11	O17	177.7°	180.0°
C15	C13	C11	C10	0.2°	0.5°
C13	C15	C14	C12	0.1°	0.0°
C13	C15	C14	H8	179.9°	180.0°
C13	C11	O17	C10	177.6°	179.5°
C11	C13	C15	C14	0.2°	0.2°
C13	C11	C10	C12	0.9°	0.5°
C13	C11	C10	C9	176.2°	179.7°
O17	C11	C10	C12	178.5°	180.0°
O17	C11	C10	C9	6.2°	0.2°
O17	C11	C13	H9	2.3°	0.2°
C11	O17	C18	H10	165.1°	60.0°
C11	O17	C18	H11	45.3°	60.0°
C15	C14	C12	H8	180.0°	180.0°
C15	C14	C12	C10	0.9°	0.0°
C15	C14	C12	H7	179.1°	179.9°
C14	C15	C13	H9	179.8°	180.0°
C11	C10	C12	C14	1.3°	0.3°
C11	C10	C12	C9	175.6°	179.7°
C11	C10	C9	N8	26.5°	179.7°
C11	C10	C9	O16	160.5°	0.2°
C11	C10	C12	H7	178.7°	179.8°
C10	C11	C13	H9	179.8°	179.7°
C14	C12	C10	H7	180.0°	179.9°
C14	C12	C10	C9	176.9°	180.0°
C12	C10	C9	N8	148.9°	0.0°
C12	C10	C9	O16	24.1°	180.0°
C10	C12	C14	H8	179.1°	180.0°
C10	C9	N8	O16	173.0°	180.0°
C10	C9	N8	C7	174.8°	180.0°
C10	C9	N8	H6	5.2°	0.0°
C9	C10	C12	H7	3.1°	0.0°
C9	N8	C7	H6	180.0°	180.0°
C9	N8	C7	C1	95.6°	180.0°
C9	N8	C7	H4	144.4°	60.0°
C9	N8	C7	H5	24.4°	60.0°
C7	N8	C9	O16	1.8°	0.0°
N8	C7	C1	H4	120.0°	120.0°
N8	C7	C1	H5	120.0°	120.0°
N8	C7	C1	C3	13.3°	105.0°
N8	C7	C1	C2	165.6°	75.6°
N8	C7	H4	H5	119.9°	120.0°
O16	C9	N8	H6	178.2°	180.0°
C7	C1	C3	C2	178.8°	179.4°
C7	C1	C3	C5	179.1°	180.0°
C7	C1	C2	F24	0.3°	0.3°
C7	C1	C2	C4	179.4°	180.0°
C7	C1	C3	H3	0.9°	0.3°
C1	C7	H4	H5	120.0°	120.0°
C1	C7	N8	H6	84.4°	0.0°
C1	C3	C5	H3	180.0°	179.7°
C3	C1	C2	F24	179.2°	179.7°
C3	C1	C2	C4	0.5°	0.6°
C1	C3	C5	C6	0.3°	0.3°
C1	C3	C5	H2	179.7°	179.7°
C3	C1	C7	H4	133.2°	135.0°
C3	C1	C7	H5	106.7°	15.0°
C2	C1	C3	C5	0.3°	0.6°
C1	C2	F24	C4	179.7°	179.7°
C1	C2	C4	C6	0.8°	0.3°
C1	C2	C4	H1	179.2°	179.7°
C2	C1	C3	H3	179.7°	179.7°
C2	C1	C7	H4	45.6°	44.4°
C2	C1	C7	H5	74.4°	164.4°
C3	C5	C6	H2	180.0°	180.0°
C3	C5	C6	C4	0.6°	0.0°
C3	C5	C6	I23	173.7°	180.0°
F24	C2	C4	C6	178.9°	180.0°
F24	C2	C4	H1	1.1°	0.1°
C2	C4	C6	C5	0.9°	0.0°
C2	C4	C6	H1	180.0°	179.9°
C2	C4	C6	I23	173.4°	180.0°
C5	C6	C4	I23	174.3°	180.0°
C5	C6	C4	H1	179.2°	180.0°
C6	C5	C3	H3	179.7°	180.0°
C4	C6	C5	H2	179.4°	180.0°
I23	C6	C4	H1	6.6°	0.0°
I23	C6	C5	H2	6.3°	0.0°
H2	C5	C3	H3	0.3°	0.0°
H4	C7	N8	H6	35.6°	120.0°
H5	C7	N8	H6	155.6°	120.0°
H7	C12	C14	H8	0.9°	0.1°

Release date:	2014-04-30
Definition date:	2013-07-16
Last modified:	2014-04-25
Release status:	REL
Processing site:	RCSB
Derived from:	4LB3