FPD

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O4	C11	doub	1.21Å	1.22Å
C11	N2	sing	1.36Å	1.32Å
C11	C10	sing	1.52Å	1.50Å
N2	C5	sing	1.46Å	1.45Å
N2	HN2	sing	0.97Å	1.02Å
C5	C6	sing	1.51Å	1.52Å
C5	C4	sing	1.53Å	1.55Å
C5	O5	sing	1.39Å	1.44Å
C6	O6	doub	1.21Å	1.22Å
C6	N1	sing	1.35Å	1.32Å
N1	C10	sing	1.43Å	1.44Å
N1	HN1	sing	0.97Å	1.02Å
C10	O7	sing	1.43Å	1.43Å
C10	C9	sing	1.53Å	1.55Å
O7	HO7	sing	0.97Å	0.95Å
C4	O3	sing	1.43Å	1.43Å
C4	C1	sing	1.53Å	1.54Å
C4	H4	sing	1.09Å	1.12Å
O3	HO3	sing	0.97Å	0.95Å
C1	C3	sing	1.53Å	1.52Å
C1	O2	sing	1.43Å	1.43Å
C1	C2	sing	1.53Å	1.53Å
C3	H31	sing	1.09Å	1.11Å
C3	H32	sing	1.09Å	1.11Å
C3	H33	sing	1.09Å	1.11Å
O2	HO2	sing	0.97Å	0.95Å
C2	O1	sing	1.43Å	1.42Å
C2	H21	sing	1.09Å	1.12Å
C2	H22	sing	1.09Å	1.11Å
O1	HO1	sing	0.97Å	0.95Å
O5	C7	sing	1.40Å	1.46Å
C7	C8	sing	1.53Å	1.56Å
C7	H71	sing	1.09Å	1.12Å
C7	H72	sing	1.09Å	1.12Å
C8	C9	sing	1.56Å	1.56Å
C8	H81	sing	1.09Å	1.11Å
C8	H82	sing	1.09Å	1.11Å
C9	C12	sing	1.53Å	1.54Å
C9	H9	sing	1.09Å	1.11Å
C12	S1	sing	1.81Å	1.77Å
C12	H121	sing	1.09Å	1.12Å
C12	H122	sing	1.09Å	1.12Å
S1	C	sing	1.76Å	1.69Å
C	C54	doub	1.39Å	1.39Å	Aromatic
C	C50	sing	1.39Å	1.40Å	Aromatic
C54	C53	sing	1.40Å	1.39Å	Aromatic
C54	H54	sing	1.08Å	1.10Å
C53	C13	sing	1.47Å	1.48Å
C53	C52	doub	1.40Å	1.40Å	Aromatic
C13	O8	doub	1.21Å	1.22Å
C13	H13	sing	1.08Å	1.10Å
C52	C51	sing	1.38Å	1.39Å	Aromatic
C52	H52	sing	1.08Å	1.10Å
C51	C50	doub	1.38Å	1.40Å	Aromatic
C51	H51	sing	1.08Å	1.10Å
C50	H50	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O4	C11	N2	121.4°	121.7°
O4	C11	C10	121.3°	121.6°
N2	C11	C10	117.0°	116.7°
C11	N2	C5	124.8°	120.5°
C11	N2	HN2	112.4°	119.7°
C11	C10	N1	118.1°	113.7°
C11	C10	O7	112.0°	105.7°
C11	C10	C9	104.0°	108.8°
C5	N2	HN2	122.7°	119.8°
N2	C5	C6	116.9°	110.7°
N2	C5	C4	109.4°	108.0°
N2	C5	O5	101.1°	113.7°
C6	C5	C4	112.7°	108.0°
C6	C5	O5	100.1°	108.3°
C5	C6	O6	121.3°	121.7°
C5	C6	N1	117.5°	116.9°
C4	C5	O5	116.1°	108.0°
C5	C4	O3	110.1°	109.5°
C5	C4	C1	116.2°	109.5°
C5	C4	H4	104.5°	109.5°
C5	O5	C7	114.4°	117.1°
O6	C6	N1	120.9°	121.4°
C6	N1	C10	124.3°	120.6°
C6	N1	HN1	113.1°	119.4°
C10	N1	HN1	122.5°	119.9°
N1	C10	O7	110.4°	106.0°
N1	C10	C9	98.7°	115.8°
O7	C10	C9	112.8°	105.9°
C10	O7	HO7	112.0°	106.8°
C10	C9	C8	112.7°	109.0°
C10	C9	C12	116.0°	109.5°
C10	C9	H9	102.5°	109.6°
O3	C4	C1	110.1°	109.5°
O3	C4	H4	111.3°	109.4°
C4	O3	HO3	110.0°	106.8°
C1	C4	H4	104.4°	109.4°
C4	C1	C3	111.1°	109.4°
C4	C1	O2	111.4°	109.5°
C4	C1	C2	110.2°	109.5°
C3	C1	O2	107.6°	109.5°
C3	C1	C2	108.9°	109.5°
C1	C3	H31	111.6°	109.5°
C1	C3	H32	111.1°	109.5°
C1	C3	H33	111.6°	109.5°
O2	C1	C2	107.6°	109.5°
C1	O2	HO2	111.4°	106.8°
C1	C2	O1	111.1°	109.5°
C1	C2	H21	111.6°	109.5°
C1	C2	H22	111.6°	109.5°
H31	C3	H32	111.6°	109.4°
H31	C3	H33	98.8°	109.5°
H32	C3	H33	111.6°	109.5°
O1	C2	H21	111.6°	109.4°
O1	C2	H22	111.6°	109.5°
C2	O1	HO1	111.1°	106.8°
H21	C2	H22	98.8°	109.5°
O5	C7	C8	117.4°	109.5°
O5	C7	H71	109.4°	109.8°
O5	C7	H72	109.3°	109.2°
C8	C7	H71	109.4°	109.4°
C8	C7	H72	109.4°	109.4°
C7	C8	C9	119.1°	109.2°
C7	C8	H81	108.7°	109.5°
C7	C8	H82	108.7°	109.6°
H71	C7	H72	100.8°	109.4°
C9	C8	H81	108.8°	109.5°
C9	C8	H82	108.8°	109.5°
C8	C9	C12	110.3°	109.6°
C8	C9	H9	109.2°	109.6°
H81	C8	H82	101.3°	109.6°
C12	C9	H9	105.3°	109.5°
C9	C12	S1	111.7°	109.5°
C9	C12	H121	111.4°	109.5°
C9	C12	H122	111.4°	109.4°
S1	C12	H121	111.4°	109.5°
S1	C12	H122	111.4°	109.5°
C12	S1	C	100.3°	100.0°
H121	C12	H122	99.0°	109.5°
S1	C	C54	120.4°	120.0°
S1	C	C50	119.7°	120.0°
C54	C	C50	120.0°	120.0°
C	C54	C53	120.0°	119.7°
C	C54	H54	120.1°	120.1°
C	C50	C51	120.1°	120.3°
C	C50	H50	119.9°	119.8°
C53	C54	H54	119.9°	120.1°
C54	C53	C13	119.3°	120.2°
C54	C53	C52	120.0°	119.7°
C13	C53	C52	120.7°	120.1°
C53	C13	O8	119.9°	120.0°
C53	C13	H13	129.6°	120.0°
C53	C52	C51	120.2°	120.0°
C53	C52	H52	119.9°	120.0°
O8	C13	H13	110.6°	120.0°
C51	C52	H52	119.9°	120.0°
C52	C51	C50	119.7°	120.3°
C52	C51	H51	120.1°	119.9°
C50	C51	H51	120.2°	119.8°
C51	C50	H50	119.9°	119.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O4	C11	N2	C10	174.4°	179.9°
O4	C11	N2	C5	174.2°	176.9°
O4	C11	N2	HN2	5.8°	3.1°
O4	C11	C10	N1	176.7°	145.8°
O4	C11	C10	O7	46.8°	29.8°
O4	C11	C10	C9	75.2°	83.6°
C11	N2	C5	HN2	180.0°	180.0°
C11	N2	C5	C6	8.8°	34.3°
C11	N2	C5	C4	138.4°	152.3°
C11	N2	C5	O5	98.6°	87.8°
N2	C11	C10	N1	8.8°	34.2°
N2	C11	C10	O7	138.7°	150.1°
N2	C11	C10	C9	99.2°	96.5°
C10	C11	N2	C5	0.3°	3.1°
C10	C11	N2	HN2	179.7°	176.9°
C11	C10	N1	C6	9.6°	25.3°
C11	C10	N1	O7	130.6°	115.8°
C11	C10	N1	C9	111.0°	127.1°
C11	C10	N1	HN1	170.4°	153.2°
C11	C10	O7	C9	116.9°	115.4°
C11	C10	O7	HO7	180.0°	60.0°
C11	C10	C9	C8	71.0°	55.1°
C11	C10	C9	C12	57.5°	64.8°
C11	C10	C9	H9	171.7°	175.0°
N2	C5	C6	C4	128.0°	118.1°
N2	C5	C6	O5	108.0°	125.2°
N2	C5	C4	O5	113.5°	123.4°
N2	C5	C6	O6	178.2°	138.2°
N2	C5	C6	N1	8.1°	43.3°
N2	C5	C4	O3	25.5°	17.7°
N2	C5	C4	C1	151.5°	102.3°
N2	C5	C4	H4	94.1°	137.7°
N2	C5	O5	C7	36.8°	82.4°
HN2	N2	C5	C6	171.2°	145.7°
HN2	N2	C5	C4	41.6°	27.7°
HN2	N2	C5	O5	81.4°	92.2°
C6	C5	C4	O5	114.6°	116.9°
C5	C6	O6	N1	173.5°	178.5°
C5	C6	N1	C10	0.9°	13.4°
C5	C6	N1	HN1	179.1°	168.1°
C6	C5	C4	O3	157.4°	102.0°
C6	C5	C4	C1	76.6°	137.9°
C6	C5	C4	H4	37.8°	18.0°
C6	C5	O5	C7	83.4°	41.0°
C4	C5	C6	O6	50.2°	20.1°
C4	C5	C6	N1	136.1°	161.3°
C5	C4	O3	C1	129.3°	120.0°
C5	C4	O3	H4	115.3°	120.0°
C5	C4	C1	H4	114.5°	120.0°
C5	C4	O3	HO3	180.0°	67.3°
C5	C4	C1	C3	134.9°	56.6°
C5	C4	C1	O2	14.9°	63.4°
C5	C4	C1	C2	104.4°	176.6°
C4	C5	O5	C7	154.9°	157.7°
O5	C5	C6	O6	73.8°	96.6°
O5	C5	C6	N1	99.9°	81.9°
O5	C5	C4	O3	88.0°	141.1°
O5	C5	C4	C1	38.0°	21.1°
O5	C5	C4	H4	152.5°	98.9°
C5	O5	C7	C8	69.9°	77.5°
C5	O5	C7	H71	55.3°	162.3°
C5	O5	C7	H72	164.8°	42.4°
O6	C6	N1	C10	172.8°	168.1°
O6	C6	N1	HN1	7.2°	10.4°
C6	N1	C10	HN1	180.0°	178.5°
C6	N1	C10	O7	140.2°	141.0°
C6	N1	C10	C9	101.5°	101.9°
N1	C10	O7	C9	109.3°	123.5°
N1	C10	O7	HO7	46.2°	61.1°
N1	C10	C9	C8	50.9°	74.5°
N1	C10	C9	C12	179.5°	165.6°
N1	C10	C9	H9	66.4°	45.4°
HN1	N1	C10	O7	39.8°	37.5°
HN1	N1	C10	C9	78.5°	79.7°
O7	C10	C9	C8	167.4°	168.3°
O7	C10	C9	C12	64.0°	48.4°
O7	C10	C9	H9	50.2°	71.8°
C9	C10	O7	HO7	63.1°	175.4°
C10	C9	C8	C7	49.4°	56.9°
C10	C9	C8	C12	131.4°	119.9°
C10	C9	C8	H9	113.3°	119.9°
C10	C9	C8	H81	174.7°	63.0°
C10	C9	C8	H82	75.9°	176.8°
C10	C9	C12	H9	112.6°	120.2°
C10	C9	C12	S1	57.5°	175.0°
C10	C9	C12	H121	67.8°	65.0°
C10	C9	C12	H122	177.2°	55.1°
O3	C4	C1	H4	119.6°	119.9°
O3	C4	C1	C3	8.9°	63.5°
O3	C4	C1	O2	111.1°	176.6°
O3	C4	C1	C2	129.7°	56.5°
C1	C4	O3	HO3	50.7°	52.8°
C4	C1	C3	O2	122.2°	120.0°
C4	C1	C3	C2	121.5°	120.0°
C4	C1	O2	C2	120.8°	120.0°
C4	C1	C3	H31	54.7°	174.9°
C4	C1	C3	H32	180.0°	65.2°
C4	C1	C3	H33	54.7°	54.8°
C4	C1	O2	HO2	180.0°	60.0°
C4	C1	C2	O1	55.2°	180.0°
C4	C1	C2	H21	70.1°	60.1°
C4	C1	C2	H22	179.6°	60.0°
H4	C4	O3	HO3	64.7°	172.7°
H4	C4	C1	C3	110.7°	176.6°
H4	C4	C1	O2	129.3°	56.6°
H4	C4	C1	C2	10.1°	63.4°
C3	C1	O2	C2	117.1°	120.0°
C1	C3	H31	H32	125.0°	120.0°
C1	C3	H31	H33	117.5°	120.1°
C1	C3	H32	H33	125.2°	120.0°
C3	C1	O2	HO2	58.0°	180.0°
C3	C1	C2	O1	66.9°	60.0°
C3	C1	C2	H21	167.8°	180.0°
C3	C1	C2	H22	58.4°	60.0°
O2	C1	C3	H31	67.5°	54.9°
O2	C1	C3	H32	57.8°	174.8°
O2	C1	C3	H33	177.0°	65.1°
O2	C1	C2	O1	176.8°	60.0°
O2	C1	C2	H21	51.5°	60.0°
O2	C1	C2	H22	58.0°	180.0°
C2	C1	C3	H31	176.2°	65.1°
C2	C1	C3	H32	58.5°	54.8°
C2	C1	C3	H33	66.8°	174.9°
C2	C1	O2	HO2	59.1°	60.0°
C1	C2	O1	H21	125.3°	120.0°
C1	C2	O1	H22	125.2°	120.0°
C1	C2	H21	H22	117.5°	120.0°
C1	C2	O1	HO1	180.0°	180.0°
H31	C3	H32	H33	109.5°	120.0°
O1	C2	H21	H22	117.5°	119.9°
H21	C2	O1	HO1	54.7°	60.0°
H22	C2	O1	HO1	54.8°	60.0°
O5	C7	C8	H71	125.3°	120.4°
O5	C7	C8	H72	125.2°	119.7°
O5	C7	H71	H72	115.1°	119.8°
O5	C7	C8	C9	93.8°	109.0°
O5	C7	C8	H81	140.9°	10.9°
O5	C7	C8	H82	31.4°	131.1°
C8	C7	H71	H72	115.1°	119.9°
C7	C8	C9	H81	125.3°	119.9°
C7	C8	C9	H82	125.3°	119.9°
C7	C8	H81	H82	114.4°	120.2°
C7	C8	C9	C12	82.0°	176.7°
C7	C8	C9	H9	162.7°	63.1°
H71	C7	C8	C9	31.4°	130.6°
H71	C7	C8	H81	93.9°	109.5°
H71	C7	C8	H82	156.7°	10.7°
H72	C7	C8	C9	140.9°	10.7°
H72	C7	C8	H81	15.7°	130.6°
H72	C7	C8	H82	93.8°	109.2°
C9	C8	H81	H82	114.4°	120.1°
C8	C9	C12	H9	117.7°	120.2°
C8	C9	C12	S1	172.8°	65.4°
C8	C9	C12	H121	61.9°	54.6°
C8	C9	C12	H122	47.6°	174.6°
H81	C8	C9	C12	43.2°	56.8°
H81	C8	C9	H9	72.1°	177.0°
H82	C8	C9	C12	152.7°	63.3°
H82	C8	C9	H9	37.4°	56.9°
C9	C12	S1	H121	125.3°	120.0°
C9	C12	S1	H122	125.3°	119.9°
C9	C12	H121	H122	117.3°	120.0°
C9	C12	S1	C	122.5°	180.0°
H9	C9	C12	S1	55.1°	54.8°
H9	C9	C12	H121	179.6°	174.8°
H9	C9	C12	H122	70.2°	65.2°
S1	C12	H121	H122	117.3°	120.0°
C12	S1	C	C54	43.1°	179.8°
C12	S1	C	C50	137.6°	0.0°
H121	C12	S1	C	112.2°	60.0°
H122	C12	S1	C	2.7°	60.0°
S1	C	C54	C50	179.4°	179.8°
S1	C	C54	C53	179.8°	179.8°
S1	C	C54	H54	0.2°	0.2°
S1	C	C50	C51	179.8°	180.0°
S1	C	C50	H50	0.2°	0.0°
C	C54	C53	H54	180.0°	179.6°
C	C54	C53	C13	179.7°	179.8°
C	C54	C53	C52	0.3°	0.5°
C54	C	C50	C51	0.4°	0.2°
C54	C	C50	H50	179.6°	179.8°
C50	C	C54	C53	0.4°	0.5°
C50	C	C54	H54	179.6°	180.0°
C	C50	C51	C52	0.3°	0.0°
C	C50	C51	H50	180.0°	180.0°
C	C50	C51	H51	179.7°	179.9°
C54	C53	C13	C52	180.0°	179.7°
C54	C53	C13	O8	69.7°	179.8°
C54	C53	C13	H13	110.2°	0.3°
C54	C53	C52	C51	0.2°	0.2°
C54	C53	C52	H52	179.8°	179.8°
H54	C54	C53	C13	0.3°	0.2°
H54	C54	C53	C52	179.7°	180.0°
C53	C13	O8	H13	180.0°	180.0°
C13	C53	C52	C51	179.8°	180.0°
C13	C53	C52	H52	0.2°	0.1°
C52	C53	C13	O8	110.2°	0.0°
C52	C53	C13	H13	69.8°	180.0°
C53	C52	C51	H52	180.0°	179.9°
C53	C52	C51	C50	0.2°	0.0°
C53	C52	C51	H51	179.8°	179.9°
C52	C51	C50	H51	180.0°	179.9°
C52	C51	C50	H50	179.7°	180.0°
H52	C52	C51	C50	179.8°	179.9°
H52	C52	C51	H51	0.2°	0.0°
H51	C51	C50	H50	0.4°	0.1°

Definition date:	2004-10-21
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1XPU