Obsolete: 53P

53P was replaced with 5P8 on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C23	C19	sing	1.42Å	1.44Å
C23	N24	trip	1.14Å	1.16Å
C12	C13	sing	1.38Å	1.41Å	Aromatic
C12	C11	doub	1.39Å	1.44Å	Aromatic
C13	C14	doub	1.35Å	1.40Å	Aromatic
C6	C5	sing	1.40Å	1.41Å	Aromatic
C6	C1	doub	1.35Å	1.42Å	Aromatic
C15	C10	doub	1.31Å	1.44Å	Aromatic
C15	C14	sing	1.43Å	1.42Å	Aromatic
C4	C5	doub	1.39Å	1.41Å	Aromatic
C4	N3	sing	1.39Å	1.38Å	Aromatic
C19	C18	doub	1.41Å	1.41Å	Aromatic
C19	N20	sing	1.37Å	1.38Å	Aromatic
C5	C18	sing	1.47Å	1.49Å
C18	C22	sing	1.34Å	1.46Å	Aromatic
C11	C10	sing	1.43Å	1.45Å	Aromatic
C11	C27	sing	1.47Å	1.50Å
C10	C8	sing	1.51Å	1.56Å
C1	C2	sing	1.48Å	1.41Å	Aromatic
C1	O7	sing	1.36Å	1.39Å
C14	F16	sing	1.37Å	1.34Å
C22	C28	sing	1.46Å	1.52Å
C22	N21	doub	1.34Å	1.34Å	Aromatic
C2	N3	doub	1.25Å	1.38Å	Aromatic
C2	N17	sing	1.35Å	1.41Å
C27	N26	sing	1.32Å	1.44Å
C27	O30	doub	1.21Å	1.23Å
C28	N26	sing	1.57Å	1.51Å
C8	C9	sing	1.53Å	1.54Å
C8	O7	sing	1.43Å	1.47Å
C25	N20	sing	1.42Å	1.45Å
C29	N26	sing	1.43Å	1.48Å
N21	N20	sing	1.42Å	1.34Å	Aromatic
C12	H12	sing	1.17Å	1.08Å
C13	H13	sing	1.05Å	1.08Å
C6	H6	sing	1.12Å	1.08Å
C15	H15	sing	1.14Å	1.08Å
C4	H4	sing	1.05Å	1.08Å
C8	H8	sing	1.10Å	1.10Å
C28	H281	sing	1.12Å	1.10Å
C28	H282	sing	1.04Å	1.10Å
N17	H171	sing	0.97Å	1.00Å
N17	H172	sing	0.97Å	1.00Å
C9	H91C	sing	1.09Å	1.10Å
C9	H92C	sing	1.09Å	1.10Å
C9	H93C	sing	1.09Å	1.10Å
C25	H251	sing	1.09Å	1.10Å
C25	H252	sing	1.09Å	1.10Å
C25	H253	sing	1.09Å	1.10Å
C29	H291	sing	1.09Å	1.10Å
C29	H292	sing	1.09Å	1.10Å
C29	H293	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C19	C23	N24	179.0°	180.0°
C23	C19	C18	131.0°	129.6°
C23	C19	N20	123.3°	121.8°
C13	C12	C11	120.3°	123.1°
C12	C13	C14	119.6°	119.8°
C13	C12	H12	119.8°	117.3°
C12	C13	H13	120.2°	120.3°
C12	C11	C10	120.7°	116.5°
C12	C11	C27	116.3°	113.2°
C11	C12	H12	119.8°	119.6°
C13	C14	C15	121.4°	117.1°
C13	C14	F16	119.2°	122.0°
C14	C13	H13	120.2°	119.8°
C5	C6	C1	124.3°	123.2°
C6	C5	C4	114.5°	117.2°
C6	C5	C18	119.8°	117.7°
C5	C6	H6	117.8°	117.8°
C6	C1	C2	116.3°	117.0°
C6	C1	O7	125.9°	121.8°
C1	C6	H6	117.9°	118.8°
C10	C15	C14	121.0°	124.4°
C15	C10	C11	117.0°	118.9°
C15	C10	C8	119.2°	118.9°
C10	C15	H15	119.5°	117.6°
C15	C14	F16	119.4°	120.9°
C14	C15	H15	119.5°	117.6°
C5	C4	N3	124.0°	118.4°
C4	C5	C18	125.7°	125.0°
C5	C4	H4	118.0°	123.0°
C4	N3	C2	119.3°	125.5°
N3	C4	H4	118.0°	118.5°
C18	C19	N20	105.7°	108.1°
C19	C18	C5	127.8°	127.4°
C19	C18	C22	103.0°	109.1°
C19	N20	C25	127.5°	124.9°
C19	N20	N21	114.4°	104.1°
C5	C18	C22	129.2°	123.2°
C18	C22	C28	131.5°	134.9°
C18	C22	N21	111.9°	107.0°
C10	C11	C27	123.0°	130.2°
C11	C10	C8	123.9°	122.2°
C11	C27	N26	121.5°	133.0°
C11	C27	O30	113.9°	109.6°
C10	C8	C9	111.6°	110.7°
C10	C8	O7	111.7°	113.3°
C10	C8	H8	108.6°	103.0°
C2	C1	O7	117.8°	121.2°
C1	C2	N3	121.6°	118.4°
C1	C2	N17	119.8°	116.6°
C1	O7	C8	121.7°	112.3°
C28	C22	N21	116.6°	117.9°
C22	C28	N26	115.4°	113.7°
C22	C28	H281	108.0°	108.9°
C22	C28	H282	108.0°	111.1°
C22	N21	N20	104.9°	111.5°
N3	C2	N17	118.6°	124.9°
C2	N17	H171	109.5°	120.0°
C2	N17	H172	109.4°	120.0°
N26	C27	O30	124.6°	117.3°
C27	N26	C28	126.6°	111.8°
C27	N26	C29	116.5°	129.8°
C28	N26	C29	117.0°	118.0°
N26	C28	H281	108.0°	105.7°
N26	C28	H282	108.0°	107.7°
C9	C8	O7	106.4°	113.0°
C9	C8	H8	108.8°	111.3°
C8	C9	H91C	109.5°	109.5°
C8	C9	H92C	109.4°	109.5°
C8	C9	H93C	109.5°	109.5°
O7	C8	H8	109.7°	105.0°
C25	N20	N21	118.1°	130.6°
N20	C25	H251	109.5°	109.5°
N20	C25	H252	109.5°	109.5°
N20	C25	H253	109.5°	109.4°
N26	C29	H291	109.5°	109.5°
N26	C29	H292	109.5°	109.5°
N26	C29	H293	109.4°	109.5°
H281	C28	H282	109.5°	109.7°
H171	N17	H172	109.5°	120.0°
H91C	C9	H92C	109.5°	109.4°
H91C	C9	H93C	109.5°	109.4°
H92C	C9	H93C	109.5°	109.4°
H251	C25	H252	109.4°	109.5°
H251	C25	H253	109.5°	109.5°
H252	C25	H253	109.5°	109.5°
H291	C29	H292	109.5°	109.4°
H291	C29	H293	109.5°	109.5°
H292	C29	H293	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C23	C19	C18	N20	179.9°	172.2°
C23	C19	C18	C5	0.2°	10.0°
C23	C19	C18	C22	179.8°	175.8°
C23	C19	N20	C25	0.1°	10.2°
C23	C19	N20	N21	179.9°	176.5°
N24	C23	C19	C18	44.5°	8.0°
N24	C23	C19	N20	135.3°	179.3°
C13	C12	C11	H12	180.0°	177.7°
C12	C13	C14	H13	180.0°	176.2°
C12	C13	C14	C15	0.1°	1.7°
C13	C12	C11	C10	0.2°	3.0°
C13	C12	C11	C27	179.9°	178.8°
C12	C13	C14	F16	180.0°	179.5°
C11	C12	C13	C14	0.1°	0.5°
C12	C11	C10	C15	0.2°	5.5°
C12	C11	C10	C27	179.8°	177.8°
C12	C11	C10	C8	179.6°	176.7°
C12	C11	C27	N26	68.0°	94.4°
C12	C11	C27	O30	111.9°	90.8°
C11	C12	C13	H13	179.9°	176.6°
C13	C14	C15	C10	0.1°	1.0°
C13	C14	C15	F16	179.9°	177.9°
C14	C13	C12	H12	179.9°	177.3°
C13	C14	C15	H15	179.9°	173.2°
C5	C6	C1	H6	180.0°	175.4°
C6	C5	C4	C18	179.4°	178.5°
C6	C5	C4	N3	0.1°	2.1°
C6	C5	C18	C19	152.3°	166.6°
C6	C5	C18	C22	28.1°	6.9°
C5	C6	C1	C2	0.4°	5.8°
C5	C6	C1	O7	179.3°	176.6°
C6	C5	C4	H4	179.9°	176.8°
C1	C6	C5	C4	0.3°	5.6°
C1	C6	C5	C18	179.1°	173.0°
C6	C1	C2	O7	179.7°	177.6°
C6	C1	C2	N3	0.3°	2.5°
C6	C1	C2	N17	179.7°	178.6°
C6	C1	O7	C8	0.8°	82.1°
C10	C15	C14	H15	180.0°	172.1°
C15	C10	C11	C8	179.4°	177.9°
C15	C10	C11	C27	180.0°	176.7°
C10	C15	C14	F16	180.0°	176.9°
C15	C10	C8	C9	62.1°	109.6°
C15	C10	C8	O7	56.8°	122.3°
C15	C10	C8	H8	177.9°	9.5°
C14	C15	C10	C11	0.1°	4.7°
C14	C15	C10	C8	179.6°	177.4°
C15	C14	C13	H13	179.9°	177.8°
C5	C4	N3	H4	180.0°	178.9°
C4	C5	C18	C19	28.3°	11.9°
C4	C5	C18	C22	151.4°	174.6°
C5	C4	N3	C2	0.0°	1.0°
C4	C5	C6	H6	179.7°	169.8°
N3	C4	C5	C18	179.3°	176.4°
C4	N3	C2	C1	0.1°	0.8°
C4	N3	C2	N17	179.5°	174.9°
C19	C18	C5	C22	179.6°	173.4°
C19	C18	C22	C28	179.9°	177.1°
C19	C18	C22	N21	0.1°	1.9°
C18	C19	N20	C25	180.0°	176.8°
C18	C19	N20	N21	0.0°	3.5°
N20	C19	C18	C5	179.7°	177.7°
N20	C19	C18	C22	0.0°	3.5°
C19	N20	N21	C22	0.1°	2.5°
C19	N20	C25	N21	180.0°	171.4°
C19	N20	C25	H251	180.0°	90.0°
C19	N20	C25	H252	60.0°	149.9°
C19	N20	C25	H253	60.0°	30.0°
C5	C18	C22	C28	0.2°	8.4°
C5	C18	C22	N21	179.8°	176.4°
C18	C5	C6	H6	0.8°	11.6°
C18	C5	C4	H4	0.6°	4.7°
C18	C22	C28	N21	180.0°	174.8°
C18	C22	C28	N26	83.0°	74.0°
C18	C22	N21	N20	0.1°	0.3°
C18	C22	C28	H281	156.2°	43.5°
C18	C22	C28	H282	37.9°	164.4°
C10	C11	C27	N26	112.2°	83.5°
C10	C11	C27	O30	67.9°	91.3°
C11	C10	C8	C9	118.5°	72.6°
C11	C10	C8	O7	122.6°	55.5°
C10	C11	C12	H12	179.8°	179.2°
C11	C10	C15	H15	179.8°	176.8°
C11	C10	C8	H8	1.5°	168.4°
C27	C11	C10	C8	0.5°	1.1°
C11	C27	N26	O30	179.9°	174.5°
C11	C27	N26	C28	0.1°	173.9°
C11	C27	N26	C29	179.5°	13.8°
C27	C11	C12	H12	0.0°	1.0°
C10	C8	O7	C1	72.2°	129.2°
C10	C8	C9	O7	122.0°	128.3°
C10	C8	C9	H8	119.8°	113.9°
C10	C8	O7	H8	120.4°	111.6°
C8	C10	C15	H15	0.4°	5.3°
C10	C8	C9	H91C	180.0°	60.0°
C10	C8	C9	H92C	60.0°	180.0°
C10	C8	C9	H93C	60.0°	60.0°
C1	C2	N3	N17	179.5°	175.8°
C2	C1	O7	C8	178.9°	100.4°
C2	C1	C6	H6	179.6°	169.6°
C1	C2	N17	H171	179.5°	0.0°
C1	C2	N17	H172	60.5°	180.0°
O7	C1	C2	N3	179.5°	179.9°
O7	C1	C2	N17	0.0°	3.8°
C1	O7	C8	C9	165.8°	2.4°
O7	C1	C6	H6	0.7°	8.0°
C1	O7	C8	H8	48.2°	119.1°
F16	C14	C13	H13	0.0°	4.3°
F16	C14	C15	H15	0.0°	4.8°
C22	C28	N26	C27	133.9°	138.5°
C22	C28	N26	H281	120.9°	119.4°
C22	C28	N26	H282	120.9°	123.5°
C22	C28	N26	C29	46.5°	48.2°
C28	C22	N21	N20	179.9°	175.8°
C22	C28	H281	H282	117.3°	121.7°
N21	C22	C28	N26	97.1°	111.2°
C22	N21	N20	C25	179.9°	175.2°
N21	C22	C28	H281	23.8°	131.3°
N21	C22	C28	H282	142.1°	10.4°
C2	N3	C4	H4	180.0°	180.0°
N3	C2	N17	H171	0.0°	175.9°
N3	C2	N17	H172	120.0°	4.2°
C2	N17	H171	H172	120.0°	179.9°
C27	N26	C28	C29	179.7°	173.3°
C27	N26	C28	H281	105.3°	19.1°
C27	N26	C28	H282	13.0°	98.0°
C27	N26	C29	H291	180.0°	0.0°
C27	N26	C29	H292	60.0°	119.9°
C27	N26	C29	H293	60.0°	120.0°
O30	C27	N26	C28	180.0°	0.6°
O30	C27	N26	C29	0.3°	171.7°
N26	C28	H281	H282	117.3°	115.8°
C28	N26	C29	H291	0.3°	171.9°
C28	N26	C29	H292	119.7°	52.0°
C28	N26	C29	H293	120.3°	68.0°
C9	C8	O7	H8	117.6°	121.5°
C8	C9	H91C	H92C	120.0°	120.0°
C8	C9	H91C	H93C	120.0°	120.0°
C8	C9	H92C	H93C	120.0°	120.0°
O7	C8	C9	H91C	58.0°	68.3°
O7	C8	C9	H92C	178.0°	51.7°
O7	C8	C9	H93C	62.0°	171.7°
N20	C25	H251	H252	120.0°	120.1°
N20	C25	H251	H253	120.0°	120.0°
N20	C25	H252	H253	120.0°	119.9°
C29	N26	C28	H281	74.4°	167.5°
C29	N26	C28	H282	167.3°	75.3°
N26	C29	H291	H292	120.0°	120.0°
N26	C29	H291	H293	120.0°	120.0°
N26	C29	H292	H293	120.0°	120.0°
N21	N20	C25	H251	0.0°	81.4°
N21	N20	C25	H252	120.0°	38.6°
N21	N20	C25	H253	120.0°	158.6°
H12	C12	C13	H13	0.1°	1.1°
H8	C8	C9	H91C	60.2°	173.9°
H8	C8	C9	H92C	59.8°	66.1°
H8	C8	C9	H93C	179.8°	53.9°
H91C	C9	H92C	H93C	120.0°	119.9°
H251	C25	H252	H253	120.0°	120.0°
H291	C29	H292	H293	120.0°	120.0°

Release date:	2016-06-08
Definition date:	2015-07-22
Last modified:	2016-10-04
Release status:	OBS
Processing site:	EBI
Replaced by:	5P8
Derived from:	5A9U