PMN

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O16	C10	sing	1.46Å	1.47Å
O16	C15	sing	1.45Å	1.48Å
O19	C5	doub	1.21Å	1.24Å
O20	C1	doub	1.21Å	1.20Å
O30	C25	sing	1.36Å	1.35Å
O30	HO30	sing	0.97Å	0.95Å
O31	C23	sing	1.36Å	1.40Å
O31	HO31	sing	0.97Å	0.95Å
O32	C21	doub	1.22Å	1.20Å
O33	C21	sing	1.35Å	1.30Å
O33	HO33	sing	0.97Å	0.95Å
N28	C1	sing	1.35Å	1.38Å
N28	C24	sing	1.40Å	1.47Å
N28	HN28	sing	0.97Å	1.00Å
C1	C2	sing	1.51Å	1.49Å
C2	C3	sing	1.53Å	1.51Å
C2	H21	sing	1.09Å	1.10Å
C2	H22	sing	1.09Å	1.10Å
C3	C4	sing	1.54Å	1.52Å
C3	H31	sing	1.09Å	1.10Å
C3	H32	sing	1.09Å	1.10Å
C4	C5	sing	1.52Å	1.59Å
C4	C9	sing	1.51Å	1.56Å
C4	C18	sing	1.53Å	1.57Å
C5	C6	sing	1.46Å	1.43Å
C6	C7	doub	1.33Å	1.31Å
C6	H6	sing	1.08Å	1.08Å
C7	C8	sing	1.48Å	1.45Å
C7	H7	sing	1.08Å	1.08Å
C8	C9	sing	1.52Å	1.56Å
C8	C13	sing	1.54Å	1.56Å
C8	C14	sing	1.56Å	1.57Å
C9	C10	sing	1.52Å	1.53Å
C9	H9	sing	1.12Å	1.10Å
C10	C11	sing	1.55Å	1.54Å
C10	H10	sing	1.09Å	1.10Å
C11	C12	sing	1.56Å	1.58Å
C11	H111	sing	1.08Å	1.10Å
C11	H112	sing	1.10Å	1.10Å
C12	C13	sing	1.56Å	1.60Å
C12	C15	sing	1.56Å	1.59Å
C12	H12	sing	1.09Å	1.10Å
C13	H131	sing	1.10Å	1.10Å
C13	H132	sing	1.08Å	1.10Å
C14	C15	sing	1.56Å	1.53Å
C14	H141	sing	1.09Å	1.10Å
C14	H142	sing	1.09Å	1.10Å
C15	C17	sing	1.53Å	1.51Å
C17	H171	sing	1.09Å	1.10Å
C17	H172	sing	1.09Å	1.10Å
C17	H173	sing	1.09Å	1.10Å
C18	H181	sing	1.09Å	1.10Å
C18	H182	sing	1.09Å	1.10Å
C18	H183	sing	1.09Å	1.10Å
C21	C22	sing	1.47Å	1.49Å
C22	C23	sing	1.40Å	1.44Å	Aromatic
C22	C27	doub	1.40Å	1.42Å	Aromatic
C23	C24	doub	1.39Å	1.41Å	Aromatic
C24	C25	sing	1.39Å	1.41Å	Aromatic
C25	C26	doub	1.39Å	1.42Å	Aromatic
C26	C27	sing	1.38Å	1.36Å	Aromatic
C26	H26	sing	1.08Å	1.08Å
C27	H27	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	O16	C15	103.9°	104.8°
O16	C10	C9	108.0°	106.2°
O16	C10	C11	101.0°	99.8°
O16	C10	H10	116.6°	111.3°
O16	C15	C12	105.8°	105.5°
O16	C15	C14	104.2°	105.0°
O16	C15	C17	109.4°	113.4°
O19	C5	C4	126.8°	120.3°
O19	C5	C6	116.4°	121.0°
O20	C1	N28	124.5°	120.0°
O20	C1	C2	114.1°	120.0°
C25	O30	HO30	109.5°	114.0°
O30	C25	C24	118.4°	119.9°
O30	C25	C26	119.0°	119.9°
C23	O31	HO31	109.5°	113.9°
O31	C23	C22	127.0°	120.2°
O31	C23	C24	116.4°	120.2°
O32	C21	O33	127.8°	120.0°
O32	C21	C22	119.5°	120.0°
C21	O33	HO33	109.5°	117.0°
O33	C21	C22	112.7°	120.0°
C1	N28	C24	133.6°	120.0°
C1	N28	HN28	113.2°	120.0°
N28	C1	C2	121.3°	120.0°
C24	N28	HN28	113.2°	120.1°
N28	C24	C23	115.5°	120.0°
N28	C24	C25	124.5°	120.0°
C1	C2	C3	100.8°	109.5°
C1	C2	H21	112.5°	109.5°
C1	C2	H22	114.2°	109.5°
C3	C2	H21	112.5°	109.5°
C3	C2	H22	114.3°	109.5°
C2	C3	C4	115.4°	109.5°
C2	C3	H31	107.5°	109.5°
C2	C3	H32	106.2°	109.4°
H21	C2	H22	103.0°	109.4°
C4	C3	H31	107.6°	109.5°
C4	C3	H32	106.2°	109.5°
C3	C4	C5	113.1°	107.8°
C3	C4	C9	104.0°	110.0°
C3	C4	C18	111.0°	108.7°
H31	C3	H32	114.2°	109.5°
C5	C4	C9	108.4°	107.3°
C5	C4	C18	105.0°	109.1°
C4	C5	C6	116.8°	118.7°
C9	C4	C18	115.5°	113.8°
C4	C9	C8	113.3°	114.2°
C4	C9	C10	117.6°	116.7°
C4	C9	H9	100.5°	104.1°
C4	C18	H181	109.5°	109.5°
C4	C18	H182	109.5°	109.5°
C4	C18	H183	109.5°	109.5°
C5	C6	C7	124.0°	120.8°
C5	C6	H6	118.0°	119.6°
C7	C6	H6	118.0°	119.6°
C6	C7	C8	126.6°	122.6°
C6	C7	H7	116.7°	118.7°
C8	C7	H7	116.7°	118.7°
C7	C8	C9	107.4°	114.5°
C7	C8	C13	117.4°	111.5°
C7	C8	C14	109.7°	112.5°
C9	C8	C13	113.7°	111.9°
C9	C8	C14	107.2°	105.5°
C8	C9	C10	110.3°	112.7°
C8	C9	H9	109.6°	103.7°
C13	C8	C14	100.9°	99.8°
C8	C13	C12	95.3°	101.2°
C8	C13	H131	114.5°	110.5°
C8	C13	H132	117.3°	113.0°
C8	C14	C15	101.1°	99.6°
C8	C14	H141	112.4°	110.7°
C8	C14	H142	114.1°	110.7°
C10	C9	H9	104.3°	103.5°
C9	C10	C11	112.0°	111.7°
C9	C10	H10	106.4°	113.8°
C11	C10	H10	112.9°	112.9°
C10	C11	C12	99.0°	99.8°
C10	C11	H111	113.1°	113.4°
C10	C11	H112	115.3°	110.8°
C12	C11	H111	113.2°	112.0°
C12	C11	H112	115.3°	110.5°
C11	C12	C13	108.0°	102.9°
C11	C12	C15	101.7°	103.1°
C11	C12	H12	114.9°	114.9°
H111	C11	H112	101.7°	110.0°
C13	C12	C15	108.4°	104.9°
C13	C12	H12	108.9°	114.8°
C12	C13	H131	114.5°	110.3°
C12	C13	H132	117.3°	111.8°
C15	C12	H12	114.5°	114.7°
C12	C15	C14	102.2°	105.3°
C12	C15	C17	119.3°	113.3°
H131	C13	H132	99.1°	109.8°
C15	C14	H141	112.3°	111.7°
C15	C14	H142	114.1°	111.8°
C14	C15	C17	114.6°	113.5°
H141	C14	H142	103.2°	111.7°
C15	C17	H171	109.5°	109.5°
C15	C17	H172	109.5°	109.5°
C15	C17	H173	109.5°	109.5°
H171	C17	H172	109.5°	109.4°
H171	C17	H173	109.4°	109.5°
H172	C17	H173	109.5°	109.5°
H181	C18	H182	109.4°	109.5°
H181	C18	H183	109.5°	109.5°
H182	C18	H183	109.5°	109.4°
C21	C22	C23	118.8°	120.1°
C21	C22	C27	119.9°	120.1°
C23	C22	C27	121.4°	119.8°
C22	C23	C24	116.6°	119.7°
C22	C27	C26	121.6°	120.0°
C22	C27	H27	119.2°	120.0°
C23	C24	C25	120.0°	119.9°
C24	C25	C26	122.6°	120.2°
C25	C26	C27	117.8°	120.4°
C25	C26	H26	121.1°	119.8°
C27	C26	H26	121.1°	119.8°
C26	C27	H27	119.2°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O16	C10	C9	C4	170.9°	166.8°
O16	C10	C9	C8	57.0°	58.3°
O16	C10	C9	C11	110.3°	107.8°
O16	C10	C9	H10	125.9°	122.8°
O16	C10	C9	H9	60.6°	53.1°
O16	C10	C11	H10	125.2°	118.3°
O16	C10	C11	C12	51.9°	48.2°
O16	C10	C11	H111	171.9°	167.5°
O16	C10	C11	H112	71.6°	68.3°
C10	O16	C15	C12	26.9°	31.5°
C10	O16	C15	C14	80.5°	79.5°
C10	O16	C15	C17	156.5°	156.0°
O16	C15	C14	C8	77.0°	77.4°
C15	O16	C10	C9	67.7°	65.7°
C15	O16	C10	C11	49.9°	50.5°
C15	O16	C10	H10	172.6°	170.0°
O16	C15	C12	C11	5.7°	0.1°
O16	C15	C12	C13	108.0°	107.3°
O16	C15	C12	C14	108.8°	110.8°
O16	C15	C12	C17	123.7°	124.6°
O16	C15	C12	H12	130.2°	125.8°
O16	C15	C14	C17	119.5°	124.4°
O16	C15	C14	H141	43.0°	39.6°
O16	C15	C14	H142	160.1°	165.6°
O16	C15	C17	H171	145.0°	61.1°
O16	C15	C17	H172	95.0°	179.0°
O16	C15	C17	H173	25.0°	59.0°
O19	C5	C4	C3	40.5°	19.3°
O19	C5	C4	C6	179.8°	179.9°
O19	C5	C4	C9	155.4°	137.8°
O19	C5	C4	C18	80.6°	98.6°
O19	C5	C6	C7	179.4°	163.1°
O19	C5	C6	H6	0.6°	17.0°
O20	C1	N28	C2	180.0°	180.0°
O20	C1	N28	C24	0.9°	5.5°
O20	C1	N28	HN28	179.1°	174.5°
O20	C1	C2	C3	80.7°	0.0°
O20	C1	C2	H21	159.3°	120.0°
O20	C1	C2	H22	42.3°	120.0°
O30	C25	C24	N28	0.2°	0.0°
O30	C25	C24	C23	179.4°	180.0°
O30	C25	C24	C26	179.6°	180.0°
O30	C25	C26	C27	179.8°	179.8°
O30	C25	C26	H26	0.2°	0.0°
HO30	O30	C25	C24	40.2°	85.1°
HO30	O30	C25	C26	139.4°	95.0°
O31	C23	C24	N28	0.5°	0.0°
O31	C23	C22	C21	0.7°	0.0°
O31	C23	C22	C24	179.8°	180.0°
O31	C23	C22	C27	179.7°	179.8°
O31	C23	C24	C25	179.2°	179.9°
HO31	O31	C23	C22	55.7°	90.0°
HO31	O31	C23	C24	124.1°	90.0°
O32	C21	O33	C22	178.9°	179.9°
O32	C21	O33	HO33	0.0°	0.0°
O32	C21	C22	C23	4.6°	0.1°
O32	C21	C22	C27	176.3°	179.7°
O33	C21	C22	C23	174.4°	180.0°
O33	C21	C22	C27	4.7°	0.2°
HO33	O33	C21	C22	178.9°	180.0°
C1	N28	C24	HN28	180.0°	180.0°
N28	C1	C2	C3	99.3°	180.0°
N28	C1	C2	H21	20.7°	60.0°
N28	C1	C2	H22	137.7°	59.9°
C1	N28	C24	C23	69.0°	49.2°
C1	N28	C24	C25	111.4°	130.8°
C24	N28	C1	C2	179.2°	174.5°
N28	C24	C23	C22	179.7°	180.0°
N28	C24	C23	C25	179.7°	180.0°
N28	C24	C25	C26	179.4°	180.0°
HN28	N28	C1	C2	0.9°	5.5°
HN28	N28	C24	C23	111.0°	130.8°
HN28	N28	C24	C25	68.6°	49.2°
C1	C2	C3	H21	120.0°	120.0°
C1	C2	C3	H22	123.0°	120.0°
C1	C2	H21	H22	123.5°	120.0°
C1	C2	C3	C4	174.5°	174.5°
C1	C2	C3	H31	54.5°	54.5°
C1	C2	C3	H32	68.1°	65.5°
C3	C2	H21	H22	123.5°	120.0°
C2	C3	C4	H31	120.0°	120.0°
C2	C3	C4	H32	117.3°	120.0°
C2	C3	H31	H32	117.6°	120.0°
C2	C3	C4	C5	63.5°	62.0°
C2	C3	C4	C9	53.9°	54.7°
C2	C3	C4	C18	178.8°	179.9°
H21	C2	C3	C4	65.5°	65.5°
H21	C2	C3	H31	174.5°	174.5°
H21	C2	C3	H32	51.9°	54.5°
H22	C2	C3	C4	51.5°	54.4°
H22	C2	C3	H31	68.5°	65.6°
H22	C2	C3	H32	168.9°	174.4°
C4	C3	H31	H32	117.6°	120.0°
C3	C4	C5	C9	114.8°	118.5°
C3	C4	C5	C18	121.2°	117.9°
C3	C4	C9	C18	121.9°	122.3°
C3	C4	C5	C6	139.6°	160.6°
C3	C4	C9	C8	172.3°	170.0°
C3	C4	C9	C10	57.0°	55.7°
C3	C4	C9	H9	55.4°	57.7°
C3	C4	C18	H181	56.0°	60.0°
C3	C4	C18	H182	176.0°	180.0°
C3	C4	C18	H183	64.0°	60.0°
H31	C3	C4	C5	56.5°	58.1°
H31	C3	C4	C9	173.9°	174.7°
H31	C3	C4	C18	61.2°	60.1°
H32	C3	C4	C5	179.2°	178.1°
H32	C3	C4	C9	63.4°	65.2°
H32	C3	C4	C18	61.5°	60.0°
C5	C4	C9	C18	117.5°	120.7°
C4	C5	C6	C7	0.4°	16.9°
C4	C5	C6	H6	179.6°	163.1°
C5	C4	C9	C8	51.7°	53.0°
C5	C4	C9	C10	177.6°	172.7°
C5	C4	C9	H9	65.2°	59.4°
C5	C4	C18	H181	178.6°	177.3°
C5	C4	C18	H182	61.5°	62.7°
C5	C4	C18	H183	58.5°	57.3°
C9	C4	C5	C6	24.8°	42.2°
C4	C9	C8	C7	52.4°	40.0°
C4	C9	C8	C10	134.3°	136.2°
C4	C9	C8	H9	111.4°	112.6°
C4	C9	C8	C13	79.2°	88.2°
C4	C9	C8	C14	170.2°	164.2°
C4	C9	C10	H9	110.3°	113.7°
C4	C9	C10	C11	78.8°	85.4°
C4	C9	C10	H10	45.0°	44.0°
C9	C4	C18	H181	62.1°	63.0°
C9	C4	C18	H182	57.9°	57.0°
C9	C4	C18	H183	177.9°	177.0°
C18	C4	C5	C6	99.2°	81.5°
C18	C4	C9	C8	65.8°	67.7°
C18	C4	C9	C10	64.9°	66.6°
C18	C4	C9	H9	177.3°	179.9°
C4	C18	H181	H182	120.0°	120.0°
C4	C18	H181	H183	120.0°	120.0°
C4	C18	H182	H183	120.0°	120.0°
C5	C6	C7	H6	180.0°	180.0°
C5	C6	C7	C8	0.9°	0.1°
C5	C6	C7	H7	179.1°	179.9°
C6	C7	C8	H7	180.0°	180.0°
C6	C7	C8	C9	27.0°	11.7°
C6	C7	C8	C13	102.6°	116.6°
C6	C7	C8	C14	143.1°	132.2°
H6	C6	C7	C8	179.1°	179.9°
H6	C6	C7	H7	0.9°	0.1°
C7	C8	C9	C13	131.6°	128.1°
C7	C8	C9	C14	117.8°	124.3°
C7	C8	C13	C14	119.1°	119.1°
C7	C8	C9	C10	173.3°	176.2°
C7	C8	C9	H9	59.0°	72.6°
C7	C8	C13	C12	170.5°	169.1°
C7	C8	C13	H131	50.5°	52.2°
C7	C8	C13	H132	65.0°	71.3°
C7	C8	C14	C15	179.7°	170.1°
C7	C8	C14	H141	59.7°	72.2°
C7	C8	C14	H142	57.4°	52.3°
H7	C7	C8	C9	153.0°	168.3°
H7	C7	C8	C13	77.4°	63.4°
H7	C7	C8	C14	36.9°	47.8°
C9	C8	C13	C14	114.4°	111.2°
C8	C9	C10	H9	117.7°	111.3°
C8	C9	C10	C11	53.3°	49.6°
C8	C9	C10	H10	177.1°	178.9°
C9	C8	C13	C12	62.9°	61.2°
C9	C8	C13	H131	177.1°	178.1°
C9	C8	C13	H132	61.5°	58.4°
C9	C8	C14	C15	63.4°	64.4°
C9	C8	C14	H141	56.6°	53.3°
C9	C8	C14	H142	173.7°	177.8°
C13	C8	C9	C10	55.1°	48.0°
C13	C8	C9	H9	169.4°	159.2°
C8	C13	C12	C11	78.1°	79.0°
C8	C13	C12	H131	120.0°	117.0°
C8	C13	C12	H132	124.5°	120.6°
C8	C13	C12	C15	31.3°	28.5°
C8	C13	C12	H12	156.5°	155.4°
C8	C13	H131	H132	125.7°	125.3°
C13	C8	C14	C15	55.8°	51.7°
C13	C8	C14	H141	175.8°	169.4°
C13	C8	C14	H142	67.1°	66.1°
C14	C8	C9	C10	55.6°	59.6°
C14	C8	C9	H9	58.8°	51.6°
C14	C8	C13	C12	51.5°	50.0°
C8	C14	C15	C12	33.0°	33.8°
C14	C8	C13	H131	68.5°	66.9°
C14	C8	C13	H132	176.0°	169.6°
C8	C14	C15	H141	120.0°	117.0°
C8	C14	C15	H142	122.9°	117.0°
C8	C14	H141	H142	123.4°	123.9°
C8	C14	C15	C17	163.5°	158.2°
C9	C10	C11	H10	120.1°	129.8°
C9	C10	C11	C12	62.8°	63.7°
C9	C10	C11	H111	57.2°	55.6°
C9	C10	C11	H112	173.6°	179.8°
H9	C9	C10	C11	170.9°	160.9°
H9	C9	C10	H10	65.2°	69.7°
C10	C11	C12	H111	120.0°	120.3°
C10	C11	C12	H112	123.5°	116.7°
C10	C11	H111	H112	124.2°	124.6°
C10	C11	C12	C13	79.9°	79.8°
C10	C11	C12	C15	34.0°	29.1°
C10	C11	C12	H12	158.3°	154.7°
H10	C10	C11	C12	177.1°	166.5°
H10	C10	C11	H111	62.9°	74.2°
H10	C10	C11	H112	53.6°	50.0°
C12	C11	H111	H112	124.3°	123.4°
C11	C12	C13	C15	109.5°	107.6°
C11	C12	C13	H12	125.3°	125.6°
C11	C12	C15	H12	124.5°	125.7°
C11	C12	C13	H131	161.9°	164.0°
C11	C12	C13	H132	46.3°	41.5°
C11	C12	C15	C14	114.5°	110.9°
C11	C12	C15	C17	118.0°	124.5°
H111	C11	C12	C13	40.1°	40.5°
H111	C11	C12	C15	154.0°	149.4°
H111	C11	C12	H12	81.7°	85.0°
H112	C11	C12	C13	156.5°	163.5°
H112	C11	C12	C15	89.5°	87.6°
H112	C11	C12	H12	34.8°	38.0°
C13	C12	C15	H12	121.8°	126.9°
C12	C13	H131	H132	125.7°	123.6°
C13	C12	C15	C14	0.8°	3.5°
C13	C12	C15	C17	128.3°	128.1°
C15	C12	C13	H131	88.6°	88.4°
C15	C12	C13	H132	155.8°	149.1°
C12	C15	C14	C17	130.5°	124.5°
C12	C15	C14	H141	153.0°	150.8°
C12	C15	C14	H142	89.9°	83.3°
C12	C15	C17	H171	93.1°	178.7°
C12	C15	C17	H172	26.9°	58.8°
C12	C15	C17	H173	146.9°	61.2°
H12	C12	C13	H131	36.5°	38.4°
H12	C12	C13	H132	79.0°	84.0°
H12	C12	C15	C14	121.0°	123.4°
H12	C12	C15	C17	6.5°	1.2°
C15	C14	H141	H142	123.4°	126.0°
C14	C15	C17	H171	28.4°	58.6°
C14	C15	C17	H172	148.4°	61.3°
C14	C15	C17	H173	91.6°	178.7°
H141	C14	C15	C17	76.5°	84.8°
H142	C14	C15	C17	40.5°	41.2°
C15	C17	H171	H172	120.0°	119.9°
C15	C17	H171	H173	120.0°	120.1°
C15	C17	H172	H173	120.0°	120.0°
H171	C17	H172	H173	120.0°	120.0°
H181	C18	H182	H183	120.0°	120.0°
C21	C22	C23	C27	179.1°	179.8°
C21	C22	C23	C24	179.5°	180.0°
C21	C22	C27	C26	179.7°	179.7°
C21	C22	C27	H27	0.4°	0.0°
C22	C23	C24	C25	0.7°	0.0°
C23	C22	C27	C26	1.3°	0.5°
C23	C22	C27	H27	178.7°	179.7°
C27	C22	C23	C24	0.4°	0.2°
C22	C27	C26	C25	0.9°	0.5°
C22	C27	C26	H27	180.0°	179.8°
C22	C27	C26	H26	179.1°	179.8°
C23	C24	C25	C26	1.0°	0.0°
C24	C25	C26	C27	0.2°	0.3°
C24	C25	C26	H26	179.8°	180.0°
C25	C26	C27	H26	180.0°	179.7°
C25	C26	C27	H27	179.1°	179.7°
H26	C26	C27	H27	0.9°	0.0°

Definition date:	2006-04-19
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB