Obsolete: INY

INY was replaced with CRP on

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL1	C1	sing	1.74Å	1.75Å
C1	C2A	doub	1.38Å	1.38Å	Aromatic
C1	C2B	sing	1.38Å	1.36Å	Aromatic
C2A	C3A	sing	1.38Å	1.37Å	Aromatic
C2A	H2A	sing	1.08Å	1.10Å
C3A	C4	doub	1.38Å	1.37Å	Aromatic
C3A	H3A	sing	1.08Å	1.10Å
C4	C3B	sing	1.38Å	1.36Å	Aromatic
C4	C5	sing	1.51Å	1.53Å
C3B	C2B	doub	1.38Å	1.38Å	Aromatic
C3B	H3B	sing	1.08Å	1.10Å
C2B	H2B	sing	1.08Å	1.10Å
C5	C6	sing	1.53Å	1.55Å
C5	N1	sing	1.46Å	1.47Å
C5	H5	sing	1.09Å	1.11Å
C6	H61	sing	1.09Å	1.12Å
C6	H62	sing	1.09Å	1.11Å
C6	H63	sing	1.09Å	1.12Å
N1	C7	sing	1.35Å	1.36Å
N1	H99	sing	0.97Å	1.02Å
C7	O1	doub	1.21Å	1.24Å
C7	C8	sing	1.51Å	1.51Å
C8	C9A	sing	1.53Å	1.57Å
C8	C9B	sing	1.53Å	1.56Å
C8	C17	sing	1.53Å	1.56Å
C9A	CL15	sing	1.80Å	1.75Å
C9A	CL16	sing	1.80Å	1.77Å
C9A	C9B	sing	1.53Å	1.57Å
C9B	C12	sing	1.53Å	1.56Å
C9B	H9B	sing	1.09Å	1.12Å
C	C17	sing	1.53Å	1.54Å
C	H1	sing	1.09Å	1.11Å
C	H2	sing	1.09Å	1.12Å
C	H3	sing	1.09Å	1.11Å
C17	H171	sing	1.09Å	1.11Å
C17	H172	sing	1.09Å	1.11Å
C12	H121	sing	1.09Å	1.12Å
C12	H122	sing	1.09Å	1.11Å
C12	H123	sing	1.09Å	1.11Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL1	C1	C2A	120.7°	120.1°
CL1	C1	C2B	119.9°	120.0°
C2A	C1	C2B	119.4°	119.9°
C1	C2A	C3A	119.8°	120.0°
C1	C2A	H2A	120.4°	120.0°
C1	C2B	C3B	119.9°	120.0°
C1	C2B	H2B	119.5°	120.0°
C3A	C2A	H2A	119.8°	120.0°
C2A	C3A	C4	120.9°	120.0°
C2A	C3A	H3A	119.7°	120.0°
C4	C3A	H3A	119.4°	120.0°
C3A	C4	C3B	118.6°	120.0°
C3A	C4	C5	120.2°	120.0°
C3B	C4	C5	121.2°	120.0°
C4	C3B	C2B	121.4°	120.0°
C4	C3B	H3B	118.8°	119.9°
C4	C5	C6	109.6°	109.5°
C4	C5	N1	110.7°	109.5°
C4	C5	H5	109.0°	109.5°
C2B	C3B	H3B	119.9°	120.0°
C3B	C2B	H2B	120.5°	120.0°
C6	C5	N1	110.7°	109.4°
C6	C5	H5	108.9°	109.4°
C5	C6	H61	109.7°	109.5°
C5	C6	H62	112.2°	109.5°
C5	C6	H63	112.2°	109.4°
N1	C5	H5	107.9°	109.5°
C5	N1	C7	120.7°	120.0°
C5	N1	H99	123.8°	120.0°
H61	C6	H62	112.1°	109.5°
H61	C6	H63	112.1°	109.5°
H62	C6	H63	98.3°	109.5°
C7	N1	H99	115.5°	120.0°
N1	C7	O1	122.8°	120.0°
N1	C7	C8	118.1°	120.0°
O1	C7	C8	119.0°	120.0°
C7	C8	C9A	113.2°	117.5°
C7	C8	C9B	115.9°	117.4°
C7	C8	C17	112.6°	115.6°
C9A	C8	C9B	60.2°	60.0°
C9A	C8	C17	117.6°	117.5°
C8	C9A	CL15	121.0°	117.5°
C8	C9A	CL16	117.8°	117.5°
C8	C9A	C9B	59.7°	60.0°
C9B	C8	C17	126.5°	117.5°
C8	C9B	C9A	60.2°	60.0°
C8	C9B	C12	124.3°	117.5°
C8	C9B	H9B	132.8°	117.6°
C8	C17	C	119.4°	109.4°
C8	C17	H171	108.6°	109.6°
C8	C17	H172	108.6°	109.5°
CL15	C9A	CL16	115.3°	115.6°
CL15	C9A	C9B	112.1°	117.5°
CL16	C9A	C9B	119.2°	117.5°
C9A	C9B	C12	119.3°	117.5°
C9A	C9B	H9B	137.2°	117.6°
C12	C9B	H9B	87.8°	115.5°
C9B	C12	H121	124.3°	109.5°
C9B	C12	H122	107.0°	109.4°
C9B	C12	H123	107.0°	109.5°
C17	C	H1	119.4°	109.5°
C17	C	H2	108.6°	109.5°
C17	C	H3	108.6°	109.4°
C	C17	H171	108.7°	109.4°
C	C17	H172	108.6°	109.4°
H1	C	H2	108.6°	109.5°
H1	C	H3	108.7°	109.5°
H2	C	H3	101.3°	109.4°
H171	C17	H172	101.4°	109.5°
H121	C12	H122	106.9°	109.4°
H121	C12	H123	106.9°	109.5°
H122	C12	H123	102.8°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL1	C1	C2A	C2B	179.1°	179.9°
CL1	C1	C2A	C3A	177.0°	180.0°
CL1	C1	C2A	H2A	3.0°	0.1°
CL1	C1	C2B	C3B	178.1°	179.7°
CL1	C1	C2B	H2B	1.9°	0.0°
C1	C2A	C3A	H2A	180.0°	180.0°
C1	C2A	C3A	C4	1.4°	0.1°
C1	C2A	C3A	H3A	178.5°	180.0°
C2A	C1	C2B	C3B	1.0°	0.2°
C2A	C1	C2B	H2B	179.0°	180.0°
C2B	C1	C2A	C3A	2.0°	0.0°
C2B	C1	C2A	H2A	178.0°	180.0°
C1	C2B	C3B	C4	0.7°	0.4°
C1	C2B	C3B	H2B	180.0°	179.8°
C1	C2B	C3B	H3B	179.3°	180.0°
C2A	C3A	C4	H3A	180.0°	179.9°
C2A	C3A	C4	C3B	0.2°	0.2°
C2A	C3A	C4	C5	179.5°	180.0°
H2A	C2A	C3A	C4	178.6°	180.0°
H2A	C2A	C3A	H3A	1.5°	0.1°
C3A	C4	C3B	C5	179.7°	179.8°
C3A	C4	C3B	C2B	1.3°	0.4°
C3A	C4	C3B	H3B	178.7°	180.0°
C3A	C4	C5	C6	75.8°	89.9°
C3A	C4	C5	N1	46.6°	150.1°
C3A	C4	C5	H5	165.0°	30.0°
H3A	C3A	C4	C3B	179.8°	179.7°
H3A	C3A	C4	C5	0.5°	0.1°
C4	C3B	C2B	H3B	180.0°	179.5°
C4	C3B	C2B	H2B	179.3°	179.8°
C3B	C4	C5	C6	103.9°	90.2°
C3B	C4	C5	N1	133.7°	29.7°
C3B	C4	C5	H5	15.2°	149.8°
C5	C4	C3B	C2B	178.4°	179.7°
C5	C4	C3B	H3B	1.5°	0.2°
C4	C5	C6	N1	122.4°	120.0°
C4	C5	C6	H5	119.2°	120.0°
C4	C5	N1	H5	119.1°	120.1°
C4	C5	C6	H61	180.0°	60.0°
C4	C5	C6	H62	54.7°	180.0°
C4	C5	C6	H63	54.8°	60.0°
C4	C5	N1	C7	83.9°	150.0°
C4	C5	N1	H99	96.1°	30.0°
H3B	C3B	C2B	H2B	0.7°	0.2°
C6	C5	N1	H5	119.1°	119.9°
C5	C6	H61	H62	125.3°	120.0°
C5	C6	H61	H63	125.3°	120.0°
C5	C6	H62	H63	118.1°	120.0°
C6	C5	N1	C7	154.3°	90.0°
C6	C5	N1	H99	25.7°	90.0°
N1	C5	C6	H61	57.6°	60.0°
N1	C5	C6	H62	177.1°	60.0°
N1	C5	C6	H63	67.6°	180.0°
C5	N1	C7	H99	180.0°	180.0°
C5	N1	C7	O1	7.4°	5.0°
C5	N1	C7	C8	171.4°	175.0°
H5	C5	C6	H61	60.8°	180.0°
H5	C5	C6	H62	64.4°	59.9°
H5	C5	C6	H63	173.9°	60.1°
H5	C5	N1	C7	35.2°	29.9°
H5	C5	N1	H99	144.7°	150.1°
H61	C6	H62	H63	117.9°	120.0°
N1	C7	O1	C8	178.8°	180.0°
N1	C7	C8	C9A	105.6°	147.5°
N1	C7	C8	C9B	38.8°	78.9°
N1	C7	C8	C17	118.1°	66.7°
H99	N1	C7	O1	172.6°	175.0°
H99	N1	C7	C8	8.6°	5.0°
O1	C7	C8	C9A	75.5°	32.5°
O1	C7	C8	C9B	142.4°	101.1°
O1	C7	C8	C17	60.8°	113.3°
C7	C8	C9A	C9B	107.6°	107.4°
C7	C8	C9A	C17	134.0°	145.1°
C7	C8	C9B	C17	153.2°	145.0°
C7	C8	C9A	CL15	8.7°	145.1°
C7	C8	C9A	CL16	143.1°	0.1°
C7	C8	C9B	C12	150.1°	145.0°
C7	C8	C9B	H9B	25.4°	0.0°
C7	C8	C17	C	65.7°	39.9°
C7	C8	C17	H171	59.6°	80.0°
C7	C8	C17	H172	169.1°	159.9°
C9A	C8	C9B	C17	103.8°	107.5°
C8	C9A	CL15	CL16	152.5°	145.7°
C8	C9A	CL15	C9B	66.9°	68.6°
C8	C9A	CL16	C9B	68.9°	68.6°
C9A	C8	C9B	C12	106.9°	107.5°
C9A	C8	C9B	H9B	128.5°	107.5°
C9A	C8	C17	C	160.1°	105.9°
C9A	C8	C17	H171	74.7°	134.2°
C9A	C8	C17	H172	34.9°	14.1°
C8	C9B	C12	H9B	142.8°	145.7°
C9B	C8	C17	C	88.2°	174.5°
C9B	C8	C17	H171	146.5°	65.6°
C9B	C8	C17	H172	37.0°	54.5°
C8	C9B	C12	H121	180.0°	180.0°
C8	C9B	C12	H122	54.8°	60.1°
C8	C9B	C12	H123	54.8°	59.9°
C17	C8	C9A	CL15	142.7°	0.1°
C17	C8	C9A	CL16	9.1°	145.1°
C17	C8	C9B	C12	3.1°	0.0°
C17	C8	C9B	H9B	127.7°	145.0°
C8	C17	C	H171	125.2°	120.0°
C8	C17	C	H172	125.2°	120.0°
C8	C17	C	H1	180.0°	174.8°
C8	C17	C	H2	54.7°	65.2°
C8	C17	C	H3	54.7°	54.7°
C8	C17	H171	H172	114.3°	120.1°
CL15	C9A	CL16	C9B	137.7°	145.7°
CL15	C9A	C9B	C12	130.9°	0.0°
CL15	C9A	C9B	H9B	8.2°	145.0°
CL16	C9A	C9B	C12	8.1°	145.1°
CL16	C9A	C9B	H9B	130.7°	0.1°
C9A	C9B	C12	H9B	145.1°	145.7°
C9A	C9B	C12	H121	108.0°	111.4°
C9A	C9B	C12	H122	126.9°	128.7°
C9A	C9B	C12	H123	17.3°	8.7°
C9B	C12	H121	H122	125.2°	119.9°
C9B	C12	H121	H123	125.3°	120.1°
C9B	C12	H122	H123	112.4°	120.1°
H9B	C9B	C12	H121	37.1°	34.3°
H9B	C9B	C12	H122	88.1°	85.6°
H9B	C9B	C12	H123	162.4°	154.3°
C17	C	H1	H2	125.2°	120.0°
C17	C	H1	H3	125.3°	120.0°
C17	C	H2	H3	114.3°	119.9°
C	C17	H171	H172	114.4°	119.9°
H1	C	H2	H3	114.4°	120.1°
H1	C	C17	H171	54.8°	65.2°
H1	C	C17	H172	54.8°	54.8°
H2	C	C17	H171	180.0°	54.8°
H2	C	C17	H172	70.5°	174.8°
H3	C	C17	H171	70.5°	174.8°
H3	C	C17	H172	179.9°	65.3°
H121	C12	H122	H123	112.4°	120.0°

Definition date:	1999-07-08
Last modified:	2008-10-14
Release status:	OBS
Processing site:	RCSB
Replaced by:	CRP
Derived from:	7STD