42L

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C3	sing	1.56Å	1.53Å
C2	C1	sing	1.55Å	1.52Å
C3	C4	sing	1.55Å	1.52Å
C1	N	sing	1.49Å	1.44Å
C1	C7	sing	1.54Å	1.52Å
C	N	sing	1.47Å	1.46Å
N	C4	sing	1.49Å	1.45Å
C4	C5	sing	1.54Å	1.53Å
C7	C6	sing	1.53Å	1.53Å
C7	C8	sing	1.51Å	1.51Å
C6	C5	sing	1.53Å	1.53Å
C6	C10	sing	1.51Å	1.49Å
C15	C10	doub	1.38Å	1.39Å	Aromatic
C15	C14	sing	1.38Å	1.39Å	Aromatic
C8	O1	sing	1.34Å	1.45Å
C8	O	doub	1.21Å	1.22Å
C10	C11	sing	1.38Å	1.39Å	Aromatic
O1	C9	sing	1.45Å	1.43Å
C14	C13	doub	1.38Å	1.39Å	Aromatic
C11	C12	doub	1.38Å	1.39Å	Aromatic
C13	C12	sing	1.38Å	1.39Å	Aromatic
C13	F	sing	1.35Å	1.34Å
C12	H1	sing	1.08Å	1.08Å
C11	H2	sing	1.08Å	1.08Å
C14	H3	sing	1.08Å	1.08Å
C15	H4	sing	1.08Å	1.08Å
C6	H5	sing	1.09Å	1.10Å
C7	H6	sing	1.09Å	1.10Å
C9	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.09Å	1.10Å
C9	H9	sing	1.09Å	1.10Å
C1	H10	sing	1.09Å	1.10Å
C5	H11	sing	1.09Å	1.10Å
C5	H12	sing	1.09Å	1.10Å
C4	H13	sing	1.09Å	1.10Å
C3	H14	sing	1.09Å	1.10Å
C3	H15	sing	1.09Å	1.10Å
C2	H16	sing	1.09Å	1.10Å
C2	H17	sing	1.09Å	1.10Å
C	H19	sing	1.09Å	1.10Å
C	H20	sing	1.09Å	1.10Å
C	H21	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C3	C2	C1	108.1°	105.0°
C2	C3	C4	106.3°	104.1°
C2	C3	H14	110.2°	111.0°
C2	C3	H15	110.3°	110.7°
C3	C2	H16	109.8°	110.4°
C3	C2	H17	109.8°	110.4°
C2	C1	N	96.9°	104.2°
C2	C1	C7	109.2°	107.8°
C2	C1	H10	114.3°	112.7°
C1	C2	H16	109.8°	110.3°
C1	C2	H17	109.8°	110.3°
C3	C4	N	97.2°	104.8°
C3	C4	C5	108.0°	107.8°
C3	C4	H13	114.5°	112.2°
C4	C3	H14	110.3°	110.4°
C4	C3	H15	110.2°	110.3°
N	C1	C7	104.5°	107.2°
C1	N	C	114.4°	111.0°
C1	N	C4	114.5°	103.4°
N	C1	H10	115.8°	112.3°
C1	C7	C6	109.4°	108.9°
C1	C7	C8	112.6°	109.6°
C1	C7	H6	107.4°	109.7°
C7	C1	H10	114.3°	112.1°
C	N	C4	108.6°	111.0°
N	C	H19	109.5°	109.5°
N	C	H20	109.4°	109.5°
N	C	H21	109.5°	109.4°
N	C4	C5	105.4°	107.2°
N	C4	H13	115.7°	112.2°
C4	C5	C6	111.0°	108.9°
C4	C5	H11	109.1°	109.6°
C4	C5	H12	109.1°	109.7°
C5	C4	H13	114.3°	112.1°
C6	C7	C8	112.4°	109.5°
C7	C6	C5	111.9°	109.7°
C7	C6	C10	109.2°	109.4°
C7	C6	H5	106.9°	109.3°
C6	C7	H6	107.3°	109.6°
C7	C8	O1	119.9°	120.0°
C7	C8	O	122.7°	120.0°
C8	C7	H6	107.6°	109.5°
C5	C6	C10	114.3°	109.5°
C5	C6	H5	106.8°	109.4°
C6	C5	H11	109.1°	109.6°
C6	C5	H12	109.1°	109.6°
C6	C10	C15	118.2°	120.0°
C6	C10	C11	122.0°	120.0°
C10	C6	H5	107.4°	109.4°
C10	C15	C14	120.6°	120.0°
C15	C10	C11	119.8°	120.1°
C10	C15	H4	119.7°	120.0°
C15	C14	C13	119.6°	120.0°
C15	C14	H3	120.2°	120.0°
C14	C15	H4	119.7°	119.9°
O1	C8	O	117.4°	120.0°
C8	O1	C9	118.8°	117.0°
C10	C11	C12	119.6°	120.0°
C10	C11	H2	120.2°	120.0°
O1	C9	H7	109.5°	109.5°
O1	C9	H8	109.5°	109.5°
O1	C9	H9	109.5°	109.5°
C14	C13	C12	120.0°	119.9°
C14	C13	F	119.7°	120.1°
C13	C14	H3	120.2°	120.0°
C11	C12	C13	120.4°	120.0°
C11	C12	H1	119.8°	120.0°
C12	C11	H2	120.2°	120.0°
C12	C13	F	120.3°	120.0°
C13	C12	H1	119.8°	120.0°
H7	C9	H8	109.4°	109.5°
H7	C9	H9	109.5°	109.4°
H8	C9	H9	109.5°	109.4°
H11	C5	H12	109.5°	109.5°
H14	C3	H15	109.5°	110.3°
H16	C2	H17	109.5°	110.4°
H19	C	H20	109.5°	109.5°
H19	C	H21	109.5°	109.5°
H20	C	H21	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C3	C2	C1	H16	119.8°	118.9°
C3	C2	C1	H17	119.8°	118.9°
C2	C3	C4	H14	119.5°	119.1°
C2	C3	C4	H15	119.5°	118.7°
C3	C2	C1	N	19.9°	25.2°
C3	C2	C1	C7	88.1°	88.5°
C2	C3	C4	N	24.5°	25.2°
C2	C3	C4	C5	84.3°	88.8°
C3	C2	C1	H10	142.4°	147.2°
C2	C3	C4	H13	147.1°	147.2°
C2	C3	H14	H15	121.5°	123.0°
C3	C2	H16	H17	120.6°	122.3°
C1	C2	C3	C4	3.1°	0.0°
C2	C1	N	C7	112.0°	114.1°
C2	C1	N	H10	121.3°	122.3°
C2	C1	C7	H10	129.5°	124.7°
C2	C1	N	C	85.5°	77.5°
C2	C1	N	C4	40.8°	41.6°
C2	C1	C7	C6	43.2°	47.6°
C2	C1	C7	C8	168.9°	167.5°
C2	C1	C7	H6	72.9°	72.3°
C1	C2	C3	H14	116.4°	118.7°
C1	C2	C3	H15	122.6°	118.6°
C1	C2	H16	H17	120.7°	122.2°
C3	C4	N	C1	43.0°	41.8°
C3	C4	N	C	86.3°	77.2°
C3	C4	N	C5	111.0°	114.4°
C3	C4	N	H13	121.6°	122.0°
C3	C4	C5	H13	128.7°	124.0°
C3	C4	C5	C6	49.1°	48.2°
C3	C4	C5	H11	169.3°	71.6°
C3	C4	C5	H12	71.1°	168.2°
C4	C3	H14	H15	121.4°	122.2°
C4	C3	C2	H16	116.7°	118.8°
C4	C3	C2	H17	122.9°	118.9°
N	C1	C7	H10	127.6°	123.6°
C1	N	C	C4	129.2°	114.4°
C1	N	C4	C5	68.0°	72.6°
N	C1	C7	C6	59.6°	64.1°
N	C1	C7	C8	66.0°	55.7°
N	C1	C7	H6	175.8°	176.0°
C1	N	C4	H13	164.6°	163.9°
N	C1	C2	H16	139.7°	93.7°
N	C1	C2	H17	99.9°	144.1°
C1	N	C	H19	180.0°	60.0°
C1	N	C	H20	60.0°	180.0°
C1	N	C	H21	60.0°	60.1°
C7	C1	N	C	162.6°	168.4°
C7	C1	N	C4	71.2°	72.6°
C1	C7	C6	C8	125.8°	119.8°
C1	C7	C6	H6	116.2°	120.0°
C1	C7	C8	H6	118.1°	120.3°
C1	C7	C6	C5	53.6°	54.0°
C1	C7	C6	C10	178.9°	174.1°
C1	C7	C8	O1	97.0°	133.5°
C1	C7	C8	O	82.9°	46.4°
C1	C7	C6	H5	63.1°	66.0°
C7	C1	C2	H16	31.6°	152.6°
C7	C1	C2	H17	152.1°	30.4°
C	N	C4	C5	162.7°	168.4°
C	N	C1	H10	35.9°	44.8°
C	N	C4	H13	35.4°	44.8°
N	C	H19	H20	120.0°	120.0°
N	C	H19	H21	120.0°	120.0°
N	C	H20	H21	120.0°	119.9°
N	C4	C5	H13	128.2°	123.6°
N	C4	C5	C6	54.0°	64.1°
C4	N	C1	H10	162.1°	163.9°
N	C4	C5	H11	66.3°	176.0°
N	C4	C5	H12	174.2°	55.8°
N	C4	C3	H14	95.0°	144.3°
N	C4	C3	H15	144.0°	93.5°
C4	N	C	H19	50.8°	54.5°
C4	N	C	H20	170.8°	65.6°
C4	N	C	H21	69.2°	174.5°
C4	C5	C6	C7	50.9°	54.0°
C4	C5	C6	H11	120.3°	119.9°
C4	C5	C6	H12	120.2°	120.0°
C4	C5	C6	C10	175.6°	174.1°
C4	C5	C6	H5	65.7°	66.0°
C4	C5	H11	H12	119.3°	120.3°
C5	C4	C3	H14	156.2°	30.3°
C5	C4	C3	H15	35.2°	152.5°
C6	C7	C8	H6	117.9°	120.2°
C7	C6	C5	C10	124.7°	120.1°
C7	C6	C5	H5	116.6°	120.0°
C7	C6	C10	H5	115.5°	119.8°
C7	C6	C10	C15	69.3°	75.7°
C6	C7	C8	O1	139.0°	107.1°
C6	C7	C8	O	41.2°	73.0°
C7	C6	C10	C11	110.2°	105.1°
C6	C7	C1	H10	172.7°	172.3°
C7	C6	C5	H11	69.3°	173.9°
C7	C6	C5	H12	171.1°	66.0°
C8	C7	C6	C5	72.2°	65.9°
C8	C7	C6	C10	55.3°	54.3°
C7	C8	O1	O	179.9°	179.9°
C7	C8	O1	C9	167.9°	180.0°
C8	C7	C6	H5	171.2°	174.1°
C8	C7	C1	H10	61.6°	67.9°
C5	C6	C10	H5	118.3°	119.9°
C5	C6	C10	C15	164.6°	44.5°
C5	C6	C10	C11	15.9°	134.7°
C5	C6	C7	H6	169.7°	173.9°
C6	C5	H11	H12	119.3°	120.2°
C6	C5	C4	H13	177.8°	172.3°
C6	C10	C15	C11	179.5°	179.2°
C6	C10	C15	C14	179.9°	180.0°
C6	C10	C11	C12	179.8°	179.8°
C6	C10	C11	H2	0.2°	0.3°
C6	C10	C15	H4	0.1°	0.8°
C10	C6	C7	H6	62.7°	65.9°
C10	C6	C5	H11	55.4°	66.1°
C10	C6	C5	H12	64.1°	54.1°
C10	C15	C14	H4	180.0°	179.2°
C10	C15	C14	C13	0.3°	0.5°
C15	C10	C11	C12	0.3°	0.6°
C15	C10	C11	H2	179.7°	179.5°
C10	C15	C14	H3	179.7°	179.5°
C15	C10	C6	H5	46.2°	164.5°
C14	C15	C10	C11	0.4°	0.8°
C15	C14	C13	H3	180.0°	180.0°
C15	C14	C13	C12	0.1°	0.0°
C15	C14	C13	F	179.9°	179.7°
O1	C8	C7	H6	21.1°	13.1°
C8	O1	C9	H7	180.0°	180.0°
C8	O1	C9	H8	60.0°	60.0°
C8	O1	C9	H9	60.0°	60.0°
O	C8	O1	C9	12.2°	0.0°
O	C8	C7	H6	159.1°	166.8°
C10	C11	C12	H2	180.0°	179.9°
C10	C11	C12	C13	0.2°	0.0°
C10	C11	C12	H1	179.8°	179.9°
C11	C10	C15	H4	179.6°	180.0°
C11	C10	C6	H5	134.3°	14.7°
O1	C9	H7	H8	120.0°	120.1°
O1	C9	H7	H9	120.0°	120.0°
O1	C9	H8	H9	120.0°	120.0°
C14	C13	C12	C11	0.1°	0.3°
C14	C13	C12	F	180.0°	179.7°
C14	C13	C12	H1	179.9°	179.8°
C13	C14	C15	H4	179.7°	179.7°
C11	C12	C13	H1	180.0°	180.0°
C11	C12	C13	F	180.0°	179.9°
C13	C12	C11	H2	179.8°	180.0°
C12	C13	C14	H3	179.9°	180.0°
F	C13	C12	H1	0.0°	0.1°
F	C13	C14	H3	0.1°	0.3°
H1	C12	C11	H2	0.2°	0.0°
H3	C14	C15	H4	0.3°	0.3°
H5	C6	C7	H6	53.1°	53.9°
H5	C6	C5	H11	174.0°	53.9°
H5	C6	C5	H12	54.5°	174.0°
H6	C7	C1	H10	56.6°	52.4°
H7	C9	H8	H9	120.0°	119.9°
H10	C1	C2	H16	97.9°	28.3°
H10	C1	C2	H17	22.6°	93.9°
H11	C5	C4	H13	61.9°	52.4°
H12	C5	C4	H13	57.6°	67.8°
H13	C4	C3	H14	27.6°	93.6°
H13	C4	C3	H15	93.4°	28.5°
H14	C3	C2	H16	123.8°	122.5°
H14	C3	C2	H17	3.4°	0.2°
H15	C3	C2	H16	2.8°	0.3°
H15	C3	C2	H17	117.6°	122.6°
H19	C	H20	H21	120.0°	120.1°

Release date:	2015-05-06
Definition date:	2015-01-22
Last modified:	2015-05-01
Release status:	REL
Processing site:	RCSB
Derived from:	4XPG