PC3

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CO3	N2B	sing	0.00Å	2.09Å
CO3	N4B	sing	0.00Å	2.06Å
CO3	N6B	sing	0.00Å	2.06Å
CO3	N8B	sing	0.00Å	2.06Å
C	C1	doub	0.00Å	1.45Å	Aromatic
C	C2C	sing	0.00Å	1.45Å	Aromatic
C	C14	sing	0.00Å	1.55Å
C1	C2A	sing	0.00Å	1.43Å	Aromatic
C1	C9	sing	0.00Å	1.53Å
C2A	N2B	sing	0.00Å	1.37Å	Aromatic
C2A	CA	doub	0.00Å	1.45Å
N2B	C2C	sing	0.00Å	1.39Å	Aromatic
C2C	CD	doub	0.00Å	1.45Å
CA	C4C	sing	0.00Å	1.45Å
CA	HA	sing	0.00Å	1.08Å
C4C	C2	doub	0.00Å	1.43Å	Aromatic
C4C	N4B	sing	0.00Å	1.38Å	Aromatic
C2	C3	sing	0.00Å	1.45Å	Aromatic
C2	C12	sing	0.00Å	1.55Å
C3	C4A	doub	0.00Å	1.43Å	Aromatic
C3	C8	sing	0.00Å	1.53Å
C4A	N4B	sing	0.00Å	1.38Å	Aromatic
C4A	CB	sing	0.00Å	1.46Å
CB	C6C	doub	0.00Å	1.44Å
CB	HB	sing	0.00Å	1.08Å
C6C	C4	sing	0.00Å	1.42Å	Aromatic
C6C	N6B	sing	0.00Å	1.38Å	Aromatic
C4	C5	doub	0.00Å	1.44Å	Aromatic
C4	C18	sing	0.00Å	1.52Å
C5	C6A	sing	0.00Å	1.40Å	Aromatic
C5	C11	sing	0.00Å	1.51Å
C6A	N6B	sing	0.00Å	1.37Å	Aromatic
C6A	CC	doub	0.00Å	1.43Å
CC	C8C	sing	0.00Å	1.45Å
CC	HC	sing	0.00Å	1.09Å
C8C	C6	doub	0.00Å	1.42Å	Aromatic
C8C	N8B	sing	0.00Å	1.38Å	Aromatic
C6	C7	sing	0.00Å	1.45Å	Aromatic
C6	C16	sing	0.00Å	1.55Å
C7	C8A	doub	0.00Å	1.43Å	Aromatic
C7	C10	sing	0.00Å	1.53Å
C8A	N8B	sing	0.00Å	1.38Å	Aromatic
C8A	CD	sing	0.00Å	1.45Å
CD	HD	sing	0.00Å	1.08Å
C8	H81	sing	0.00Å	1.11Å
C8	H82	sing	0.00Å	1.11Å
C8	H83	sing	0.00Å	1.11Å
C9	H91	sing	0.00Å	1.11Å
C9	H92	sing	0.00Å	1.11Å
C9	H93	sing	0.00Å	1.10Å
C10	H101	sing	0.00Å	1.11Å
C10	H102	sing	0.00Å	1.11Å
C10	H103	sing	0.00Å	1.11Å
C11	H111	sing	0.00Å	1.10Å
C11	H112	sing	0.00Å	1.11Å
C11	H113	sing	0.00Å	1.11Å
C12	CX5	sing	0.00Å	1.56Å
C12	H121	sing	0.00Å	1.11Å
C12	H122	sing	0.00Å	1.11Å
CX5	C22	sing	0.00Å	1.53Å
CX5	H221	sing	0.00Å	1.10Å
CX5	H222	sing	0.00Å	1.10Å
C14	C15	sing	0.00Å	1.55Å
C14	H141	sing	0.00Å	1.10Å
C14	H142	sing	0.00Å	1.11Å
C15	C21	sing	0.00Å	1.52Å
C15	H151	sing	0.00Å	1.10Å
C15	H152	sing	0.00Å	1.11Å
C16	C17	sing	0.00Å	1.56Å
C16	H161	sing	0.00Å	1.11Å
C16	H162	sing	0.00Å	1.11Å
C17	C24	sing	0.00Å	1.53Å
C17	H171	sing	0.00Å	1.10Å
C17	H172	sing	0.00Å	1.11Å
C18	C19	sing	0.00Å	1.54Å
C18	H181	sing	0.00Å	1.10Å
C18	H182	sing	0.00Å	1.11Å
C19	C23	sing	0.00Å	1.52Å
C19	H192	sing	0.00Å	1.10Å
C19	H191	sing	0.00Å	1.10Å
C21	O1	doub	0.00Å	1.24Å
C21	O2	sing	0.00Å	1.26Å
O2	HO2	sing	0.00Å	0.95Å
C22	O3	doub	0.00Å	1.24Å
C22	O22	sing	0.00Å	1.25Å
O22	HO22	sing	0.00Å	0.95Å
C23	O23	sing	0.00Å	1.24Å
C23	O4	doub	0.00Å	1.27Å
O23	HO32	sing	0.00Å	0.95Å
C24	O5	doub	0.00Å	1.26Å
C24	O6	sing	0.00Å	1.24Å
O6	HO6	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N2B	CO3	N4B	91.1°	90.0°
N2B	CO3	N6B	174.6°	90.0°
N2B	CO3	N8B	88.9°	90.0°
CO3	N2B	C2A	127.6°	90.0°
CO3	N2B	C2C	129.6°	90.0°
N4B	CO3	N6B	89.2°	90.0°
N4B	CO3	N8B	179.2°	90.0°
CO3	N4B	C4C	127.6°	90.0°
CO3	N4B	C4A	129.2°	90.0°
N6B	CO3	N8B	90.8°	90.0°
CO3	N6B	C6C	129.6°	90.0°
CO3	N6B	C6A	127.7°	90.0°
CO3	N8B	C8C	127.6°	90.0°
CO3	N8B	C8A	129.6°	90.0°
C1	C	C2C	103.1°	90.0°
C1	C	C14	123.6°	90.0°
C	C1	C2A	105.3°	90.0°
C	C1	C9	126.0°	90.0°
C2C	C	C14	132.4°	90.0°
C	C2C	N2B	114.4°	90.0°
C	C2C	CD	125.1°	90.0°
C	C14	C15	121.7°	90.0°
C	C14	H141	108.8°	90.0°
C	C14	H142	108.4°	90.0°
C2A	C1	C9	128.5°	90.0°
C1	C2A	N2B	114.3°	90.0°
C1	C2A	CA	124.4°	90.0°
C1	C9	H91	112.2°	90.0°
C1	C9	H92	110.5°	90.0°
C1	C9	H93	113.7°	90.0°
N2B	C2A	CA	121.3°	90.0°
C2A	N2B	C2C	102.8°	90.0°
C2A	CA	C4C	130.6°	90.0°
C2A	CA	HA	114.7°	90.0°
N2B	C2C	CD	120.5°	90.0°
C2C	CD	C8A	129.6°	90.0°
C2C	CD	HD	115.2°	90.0°
C4C	CA	HA	114.5°	90.0°
CA	C4C	C2	124.2°	90.0°
CA	C4C	N4B	121.9°	90.0°
C2	C4C	N4B	113.9°	90.0°
C4C	C2	C3	104.4°	90.0°
C4C	C2	C12	127.2°	90.0°
C4C	N4B	C4A	103.1°	90.0°
C3	C2	C12	127.4°	90.0°
C2	C3	C4A	104.5°	90.0°
C2	C3	C8	126.8°	90.0°
C2	C12	CX5	115.3°	90.0°
C2	C12	H121	109.9°	90.0°
C2	C12	H122	109.6°	90.0°
C4A	C3	C8	128.5°	90.0°
C3	C4A	N4B	114.0°	90.0°
C3	C4A	CB	124.6°	90.0°
C3	C8	H81	111.1°	90.0°
C3	C8	H82	111.9°	90.0°
C3	C8	H83	112.1°	90.0°
N4B	C4A	CB	121.4°	90.0°
C4A	CB	C6C	128.6°	90.0°
C4A	CB	HB	116.1°	90.0°
C6C	CB	HB	115.1°	90.0°
CB	C6C	C4	124.6°	90.0°
CB	C6C	N6B	121.6°	90.0°
C4	C6C	N6B	113.7°	90.0°
C6C	C4	C5	104.3°	90.0°
C6C	C4	C18	127.9°	90.0°
C6C	N6B	C6A	102.7°	90.0°
C5	C4	C18	127.2°	90.0°
C4	C5	C6A	104.7°	90.0°
C4	C5	C11	130.0°	90.0°
C4	C18	C19	106.5°	90.0°
C4	C18	H181	111.3°	90.0°
C4	C18	H182	110.4°	90.0°
C6A	C5	C11	125.1°	90.0°
C5	C6A	N6B	114.5°	90.0°
C5	C6A	CC	123.3°	90.0°
C5	C11	H111	112.4°	90.0°
C5	C11	H112	111.0°	90.0°
C5	C11	H113	111.7°	90.0°
N6B	C6A	CC	122.2°	90.0°
C6A	CC	C8C	129.7°	90.0°
C6A	CC	HC	114.8°	90.0°
C8C	CC	HC	115.2°	90.0°
CC	C8C	C6	124.1°	90.0°
CC	C8C	N8B	121.6°	90.0°
C6	C8C	N8B	114.2°	90.0°
C8C	C6	C7	104.2°	90.0°
C8C	C6	C16	126.5°	90.0°
C8C	N8B	C8A	102.8°	90.0°
C7	C6	C16	128.4°	90.0°
C6	C7	C8A	104.3°	90.0°
C6	C7	C10	126.7°	90.0°
C6	C16	C17	114.5°	90.0°
C6	C16	H161	110.0°	90.0°
C6	C16	H162	109.9°	90.0°
C8A	C7	C10	128.6°	90.0°
C7	C8A	N8B	113.8°	90.0°
C7	C8A	CD	124.6°	90.0°
C7	C10	H101	112.3°	90.0°
C7	C10	H102	111.7°	90.0°
C7	C10	H103	111.6°	90.0°
N8B	C8A	CD	121.6°	90.0°
C8A	CD	HD	115.1°	90.0°
H81	C8	H82	107.2°	90.0°
H81	C8	H83	106.2°	90.0°
H82	C8	H83	108.1°	90.0°
H91	C9	H92	106.8°	90.0°
H91	C9	H93	106.9°	90.0°
H92	C9	H93	106.2°	90.0°
H101	C10	H102	106.3°	90.0°
H101	C10	H103	107.8°	90.0°
H102	C10	H103	106.9°	90.0°
H111	C11	H112	107.7°	90.0°
H111	C11	H113	107.5°	90.0°
H112	C11	H113	106.2°	90.0°
CX5	C12	H121	108.6°	90.0°
CX5	C12	H122	108.8°	90.0°
C12	CX5	C22	116.9°	90.0°
C12	CX5	H221	110.2°	90.0°
C12	CX5	H222	109.7°	90.0°
H121	C12	H122	104.0°	90.0°
C22	CX5	H221	107.3°	90.0°
C22	CX5	H222	107.1°	90.0°
CX5	C22	O3	119.9°	90.0°
CX5	C22	O22	116.8°	90.0°
H221	CX5	H222	104.9°	90.0°
C15	C14	H141	107.5°	90.0°
C15	C14	H142	105.3°	90.0°
C14	C15	C21	119.3°	90.0°
C14	C15	H151	111.1°	90.0°
C14	C15	H152	108.2°	90.0°
H141	C14	H142	103.8°	90.0°
C21	C15	H151	107.1°	90.0°
C21	C15	H152	106.3°	90.0°
C15	C21	O1	119.1°	90.0°
C15	C21	O2	118.0°	90.0°
H151	C15	H152	103.5°	90.0°
C17	C16	H161	108.8°	90.0°
C17	C16	H162	108.6°	90.0°
C16	C17	C24	116.9°	90.0°
C16	C17	H171	110.3°	90.0°
C16	C17	H172	109.7°	90.0°
H161	C16	H162	104.4°	90.0°
C24	C17	H171	107.5°	90.0°
C24	C17	H172	106.9°	90.0°
C17	C24	O5	117.0°	90.0°
C17	C24	O6	119.8°	90.0°
H171	C17	H172	104.9°	90.0°
C19	C18	H181	110.8°	90.0°
C19	C18	H182	110.1°	90.0°
C18	C19	C23	113.3°	90.0°
C18	C19	H192	111.4°	90.0°
C18	C19	H191	110.9°	90.0°
H181	C18	H182	107.6°	90.0°
C23	C19	H192	108.7°	90.0°
C23	C19	H191	106.4°	90.0°
C19	C23	O23	119.6°	90.0°
C19	C23	O4	118.5°	90.0°
H192	C19	H191	105.9°	90.0°
O1	C21	O2	122.5°	90.0°
C21	O2	HO2	118.1°	90.0°
O3	C22	O22	122.6°	90.0°
C22	O22	HO22	116.9°	90.0°
O23	C23	O4	121.8°	90.0°
C23	O23	HO32	119.6°	90.0°
O5	C24	O6	122.5°	90.0°
C24	O6	HO6	119.8°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N2B	CO3	N4B	N6B	174.7°	90.0°
N2B	CO3	N4B	N8B	85.0°	90.0°
N2B	CO3	N6B	N8B	86.0°	90.0°
CO3	N2B	C2C	C	178.2°	90.0°
CO3	N2B	C2A	C1	178.8°	90.0°
CO3	N2B	C2A	C2C	179.6°	90.0°
CO3	N2B	C2A	CA	1.3°	90.0°
CO3	N2B	C2C	CD	1.2°	90.0°
N2B	CO3	N4B	C4C	0.7°	90.0°
N2B	CO3	N4B	C4A	177.9°	90.0°
N2B	CO3	N6B	C6C	96.3°	90.0°
N2B	CO3	N6B	C6A	83.8°	90.0°
N2B	CO3	N8B	C8C	176.3°	90.0°
N2B	CO3	N8B	C8A	2.8°	90.0°
N4B	CO3	N6B	N8B	179.2°	90.0°
N4B	CO3	N2B	C2A	0.3°	90.0°
N4B	CO3	N2B	C2C	179.1°	90.0°
CO3	N4B	C4C	CA	2.1°	90.0°
CO3	N4B	C4C	C2	177.5°	90.0°
CO3	N4B	C4C	C4A	177.7°	90.0°
CO3	N4B	C4A	C3	179.8°	90.0°
CO3	N4B	C4A	CB	0.1°	90.0°
N4B	CO3	N6B	C6C	3.2°	90.0°
N4B	CO3	N6B	C6A	176.9°	90.0°
N4B	CO3	N8B	C8C	91.3°	90.0°
N4B	CO3	N8B	C8A	87.9°	90.0°
N6B	CO3	N2B	C2A	92.7°	90.0°
N6B	CO3	N2B	C2C	87.8°	90.0°
N6B	CO3	N4B	C4C	173.9°	90.0°
N6B	CO3	N4B	C4A	3.2°	90.0°
CO3	N6B	C6C	CB	0.0°	90.0°
CO3	N6B	C6C	C4	179.9°	90.0°
CO3	N6B	C6C	C6A	179.9°	90.0°
CO3	N6B	C6A	C5	178.6°	90.0°
CO3	N6B	C6A	CC	1.5°	90.0°
N6B	CO3	N8B	C8C	1.7°	90.0°
N6B	CO3	N8B	C8A	177.5°	90.0°
N8B	CO3	N2B	C2A	178.8°	90.0°
N8B	CO3	N2B	C2C	1.7°	90.0°
N8B	CO3	N4B	C4C	84.3°	90.0°
N8B	CO3	N4B	C4A	92.8°	90.0°
N8B	CO3	N6B	C6C	177.6°	90.0°
N8B	CO3	N6B	C6A	2.2°	90.0°
CO3	N8B	C8C	CC	6.2°	90.0°
CO3	N8B	C8C	C6	173.8°	90.0°
CO3	N8B	C8C	C8A	179.3°	90.0°
CO3	N8B	C8A	C7	178.6°	90.0°
CO3	N8B	C8A	CD	0.9°	90.0°
C1	C	C2C	C14	169.3°	90.0°
C	C1	C2A	C9	175.6°	90.0°
C	C1	C2A	N2B	0.5°	90.0°
C	C1	C2A	CA	179.4°	90.0°
C1	C	C2C	N2B	2.0°	90.0°
C1	C	C2C	CD	178.7°	90.0°
C	C1	C9	H91	38.2°	90.0°
C	C1	C9	H92	80.9°	90.0°
C	C1	C9	H93	159.7°	90.0°
C1	C	C14	C15	136.6°	90.0°
C1	C	C14	H141	97.8°	90.0°
C1	C	C14	H142	14.5°	90.0°
C2C	C	C1	C2A	0.8°	90.0°
C2C	C	C1	C9	176.6°	90.0°
C	C2C	N2B	C2A	2.3°	90.0°
C	C2C	N2B	CD	179.4°	90.0°
C	C2C	CD	C8A	174.7°	90.0°
C	C2C	CD	HD	1.7°	90.0°
C2C	C	C14	C15	30.8°	90.0°
C2C	C	C14	H141	94.8°	90.0°
C2C	C	C14	H142	152.9°	90.0°
C14	C	C1	C2A	169.7°	90.0°
C14	C	C1	C9	6.1°	90.0°
C14	C	C2C	N2B	167.3°	90.0°
C14	C	C2C	CD	12.1°	90.0°
C	C14	C15	H141	126.2°	90.0°
C	C14	C15	H142	123.6°	90.0°
C	C14	H141	H142	115.3°	90.0°
C	C14	C15	C21	50.5°	90.0°
C	C14	C15	H151	74.9°	90.0°
C	C14	C15	H152	172.1°	90.0°
C1	C2A	N2B	CA	180.0°	90.0°
C1	C2A	N2B	C2C	1.7°	90.0°
C1	C2A	CA	C4C	177.2°	90.0°
C1	C2A	CA	HA	3.0°	90.0°
C2A	C1	C9	H91	147.1°	90.0°
C2A	C1	C9	H92	93.8°	90.0°
C2A	C1	C9	H93	25.6°	90.0°
C9	C1	C2A	N2B	175.1°	90.0°
C9	C1	C2A	CA	5.0°	90.0°
C1	C9	H91	H92	121.3°	90.0°
C1	C9	H91	H93	125.4°	90.0°
C1	C9	H92	H93	123.8°	90.0°
C2A	N2B	C2C	CD	178.4°	90.0°
N2B	C2A	CA	C4C	2.9°	90.0°
N2B	C2A	CA	HA	177.0°	90.0°
CA	C2A	N2B	C2C	178.3°	90.0°
C2A	CA	C4C	HA	174.1°	90.0°
C2A	CA	C4C	C2	176.2°	90.0°
C2A	CA	C4C	N4B	3.3°	90.0°
N2B	C2C	CD	C8A	4.6°	90.0°
N2B	C2C	CD	HD	179.0°	90.0°
C2C	CD	C8A	C7	177.0°	90.0°
C2C	CD	C8A	N8B	3.6°	90.0°
C2C	CD	C8A	HD	176.4°	90.0°
CA	C4C	C2	N4B	179.6°	90.0°
CA	C4C	C2	C3	178.1°	90.0°
CA	C4C	C2	C12	13.1°	90.0°
CA	C4C	N4B	C4A	179.8°	90.0°
HA	CA	C4C	C2	2.1°	90.0°
HA	CA	C4C	N4B	177.4°	90.0°
C4C	C2	C3	C12	168.8°	90.0°
C4C	C2	C3	C4A	3.3°	90.0°
C4C	C2	C3	C8	178.1°	90.0°
C2	C4C	N4B	C4A	0.2°	90.0°
C4C	C2	C12	CX5	77.1°	90.0°
C4C	C2	C12	H121	46.0°	90.0°
C4C	C2	C12	H122	159.8°	90.0°
N4B	C4C	C2	C3	2.3°	90.0°
N4B	C4C	C2	C12	166.5°	90.0°
C4C	N4B	C4A	C3	2.1°	90.0°
C4C	N4B	C4A	CB	177.6°	90.0°
C2	C3	C4A	C8	174.7°	90.0°
C2	C3	C4A	N4B	3.6°	90.0°
C2	C3	C4A	CB	176.1°	90.0°
C2	C3	C8	H81	38.0°	90.0°
C2	C3	C8	H82	81.8°	90.0°
C2	C3	C8	H83	156.6°	90.0°
C3	C2	C12	CX5	89.2°	90.0°
C3	C2	C12	H121	147.7°	90.0°
C3	C2	C12	H122	33.9°	90.0°
C12	C2	C3	C4A	165.5°	90.0°
C12	C2	C3	C8	9.4°	90.0°
C2	C12	CX5	H121	123.8°	90.0°
C2	C12	CX5	H122	123.6°	90.0°
C2	C12	H121	H122	117.3°	90.0°
C2	C12	CX5	C22	54.9°	90.0°
C2	C12	CX5	H221	67.9°	90.0°
C2	C12	CX5	H222	177.1°	90.0°
C3	C4A	N4B	CB	179.7°	90.0°
C3	C4A	CB	C6C	174.5°	90.0°
C3	C4A	CB	HB	0.6°	90.0°
C4A	C3	C8	H81	148.4°	90.0°
C4A	C3	C8	H82	91.8°	90.0°
C4A	C3	C8	H83	29.8°	90.0°
C8	C3	C4A	N4B	178.3°	90.0°
C8	C3	C4A	CB	1.4°	90.0°
C3	C8	H81	H82	122.5°	90.0°
C3	C8	H81	H83	122.1°	90.0°
C3	C8	H82	H83	123.9°	90.0°
N4B	C4A	CB	C6C	5.1°	90.0°
N4B	C4A	CB	HB	179.7°	90.0°
C4A	CB	C6C	HB	175.2°	90.0°
C4A	CB	C6C	C4	174.9°	90.0°
C4A	CB	C6C	N6B	5.2°	90.0°
CB	C6C	C4	N6B	179.9°	90.0°
CB	C6C	C4	C5	178.7°	90.0°
CB	C6C	C4	C18	9.9°	90.0°
CB	C6C	N6B	C6A	179.9°	90.0°
HB	CB	C6C	C4	0.3°	90.0°
HB	CB	C6C	N6B	179.6°	90.0°
C6C	C4	C5	C18	171.4°	90.0°
C6C	C4	C5	C6A	2.1°	90.0°
C6C	C4	C5	C11	177.2°	90.0°
C4	C6C	N6B	C6A	0.0°	90.0°
C6C	C4	C18	C19	94.6°	90.0°
C6C	C4	C18	H181	144.5°	90.0°
C6C	C4	C18	H182	25.0°	90.0°
N6B	C6C	C4	C5	1.4°	90.0°
N6B	C6C	C4	C18	170.0°	90.0°
C6C	N6B	C6A	C5	1.5°	90.0°
C6C	N6B	C6A	CC	178.4°	90.0°
C4	C5	C6A	C11	175.4°	90.0°
C4	C5	C6A	N6B	2.4°	90.0°
C4	C5	C6A	CC	177.5°	90.0°
C4	C5	C11	H111	102.0°	90.0°
C4	C5	C11	H112	137.4°	90.0°
C4	C5	C11	H113	19.0°	90.0°
C5	C4	C18	C19	74.9°	90.0°
C5	C4	C18	H181	46.0°	90.0°
C5	C4	C18	H182	165.5°	90.0°
C18	C4	C5	C6A	169.3°	90.0°
C18	C4	C5	C11	5.8°	90.0°
C4	C18	C19	H181	121.2°	90.0°
C4	C18	C19	H182	119.8°	90.0°
C4	C18	H181	H182	121.2°	90.0°
C4	C18	C19	C23	47.6°	90.0°
C4	C18	C19	H192	170.4°	90.0°
C4	C18	C19	H191	71.9°	90.0°
C5	C6A	N6B	CC	179.9°	90.0°
C5	C6A	CC	C8C	176.0°	90.0°
C5	C6A	CC	HC	2.5°	90.0°
C6A	C5	C11	H111	83.8°	90.0°
C6A	C5	C11	H112	36.8°	90.0°
C6A	C5	C11	H113	155.2°	90.0°
C11	C5	C6A	N6B	177.8°	90.0°
C11	C5	C6A	CC	2.1°	90.0°
C5	C11	H111	H112	122.5°	90.0°
C5	C11	H111	H113	123.4°	90.0°
C5	C11	H112	H113	121.6°	90.0°
N6B	C6A	CC	C8C	3.9°	90.0°
N6B	C6A	CC	HC	177.4°	90.0°
C6A	CC	C8C	HC	173.5°	90.0°
C6A	CC	C8C	C6	172.1°	90.0°
C6A	CC	C8C	N8B	7.9°	90.0°
CC	C8C	C6	N8B	180.0°	90.0°
CC	C8C	C6	C7	171.2°	90.0°
CC	C8C	C6	C16	19.0°	90.0°
CC	C8C	N8B	C8A	173.1°	90.0°
HC	CC	C8C	C6	1.4°	90.0°
HC	CC	C8C	N8B	178.6°	90.0°
C8C	C6	C7	C16	169.5°	90.0°
C8C	C6	C7	C8A	6.6°	90.0°
C8C	C6	C7	C10	179.6°	90.0°
C6	C8C	N8B	C8A	6.9°	90.0°
C8C	C6	C16	C17	69.8°	90.0°
C8C	C6	C16	H161	167.2°	90.0°
C8C	C6	C16	H162	52.7°	90.0°
N8B	C8C	C6	C7	8.8°	90.0°
N8B	C8C	C6	C16	161.0°	90.0°
C8C	N8B	C8A	C7	2.1°	90.0°
C8C	N8B	C8A	CD	178.3°	90.0°
C6	C7	C8A	C10	172.8°	90.0°
C6	C7	C8A	N8B	3.0°	90.0°
C6	C7	C8A	CD	176.5°	90.0°
C6	C7	C10	H101	149.2°	90.0°
C6	C7	C10	H102	29.9°	90.0°
C6	C7	C10	H103	89.7°	90.0°
C7	C6	C16	C17	97.5°	90.0°
C7	C6	C16	H161	25.4°	90.0°
C7	C6	C16	H162	139.9°	90.0°
C16	C6	C7	C8A	162.9°	90.0°
C16	C6	C7	C10	10.1°	90.0°
C6	C16	C17	H161	123.6°	90.0°
C6	C16	C17	H162	123.3°	90.0°
C6	C16	H161	H162	118.0°	90.0°
C6	C16	C17	C24	58.2°	90.0°
C6	C16	C17	H171	64.9°	90.0°
C6	C16	C17	H172	179.9°	90.0°
C7	C8A	N8B	CD	179.5°	90.0°
C7	C8A	CD	HD	0.5°	90.0°
C8A	C7	C10	H101	39.5°	90.0°
C8A	C7	C10	H102	158.8°	90.0°
C8A	C7	C10	H103	81.6°	90.0°
C10	C7	C8A	N8B	175.8°	90.0°
C10	C7	C8A	CD	3.7°	90.0°
C7	C10	H101	H102	122.5°	90.0°
C7	C10	H101	H103	123.3°	90.0°
C7	C10	H102	H103	122.3°	90.0°
N8B	C8A	CD	HD	180.0°	90.0°
H81	C8	H82	H83	114.1°	90.0°
H91	C9	H92	H93	113.8°	90.0°
H101	C10	H102	H103	114.9°	90.0°
H111	C11	H112	H113	115.0°	90.0°
CX5	C12	H121	H122	115.7°	90.0°
C12	CX5	C22	H221	124.3°	90.0°
C12	CX5	C22	H222	123.5°	90.0°
C12	CX5	H221	H222	118.0°	90.0°
C12	CX5	C22	O3	90.5°	90.0°
C12	CX5	C22	O22	80.5°	90.0°
H121	C12	CX5	C22	68.9°	90.0°
H121	C12	CX5	H221	168.3°	90.0°
H121	C12	CX5	H222	53.3°	90.0°
H122	C12	CX5	C22	178.5°	90.0°
H122	C12	CX5	H221	55.7°	90.0°
H122	C12	CX5	H222	59.3°	90.0°
C22	CX5	H221	H222	113.7°	90.0°
CX5	C22	O3	O22	170.5°	90.0°
CX5	C22	O22	HO22	180.0°	90.0°
H221	CX5	C22	O3	145.2°	90.0°
H221	CX5	C22	O22	43.8°	90.0°
H222	CX5	C22	O3	33.0°	90.0°
H222	CX5	C22	O22	156.0°	90.0°
C15	C14	H141	H142	111.2°	90.0°
C14	C15	C21	H151	127.3°	90.0°
C14	C15	C21	H152	122.5°	90.0°
C14	C15	H151	H152	115.9°	90.0°
C14	C15	C21	O1	130.3°	90.0°
C14	C15	C21	O2	56.9°	90.0°
H141	C14	C15	C21	176.7°	90.0°
H141	C14	C15	H151	51.3°	90.0°
H141	C14	C15	H152	61.7°	90.0°
H142	C14	C15	C21	73.1°	90.0°
H142	C14	C15	H151	161.6°	90.0°
H142	C14	C15	H152	48.5°	90.0°
C21	C15	H151	H152	112.1°	90.0°
C15	C21	O1	O2	172.5°	90.0°
C15	C21	O2	HO2	180.0°	90.0°
H151	C15	C21	O1	102.4°	90.0°
H151	C15	C21	O2	70.4°	90.0°
H152	C15	C21	O1	7.8°	90.0°
H152	C15	C21	O2	179.4°	90.0°
C17	C16	H161	H162	115.8°	90.0°
C16	C17	C24	H171	124.6°	90.0°
C16	C17	C24	H172	123.3°	90.0°
C16	C17	H171	H172	118.0°	90.0°
C16	C17	C24	O5	83.1°	90.0°
C16	C17	C24	O6	87.3°	90.0°
H161	C16	C17	C24	178.2°	90.0°
H161	C16	C17	H171	58.7°	90.0°
H161	C16	C17	H172	56.3°	90.0°
H162	C16	C17	C24	65.1°	90.0°
H162	C16	C17	H171	171.8°	90.0°
H162	C16	C17	H172	56.7°	90.0°
C24	C17	H171	H172	113.5°	90.0°
C17	C24	O5	O6	170.1°	90.0°
C17	C24	O6	HO6	179.9°	90.0°
H171	C17	C24	O5	41.5°	90.0°
H171	C17	C24	O6	148.1°	90.0°
H172	C17	C24	O5	153.6°	90.0°
H172	C17	C24	O6	36.0°	90.0°
C19	C18	H181	H182	120.5°	90.0°
C18	C19	C23	H192	124.3°	90.0°
C18	C19	C23	H191	122.0°	90.0°
C18	C19	H192	H191	120.6°	90.0°
C18	C19	C23	O23	151.7°	90.0°
C18	C19	C23	O4	24.3°	90.0°
H181	C18	C19	C23	168.8°	90.0°
H181	C18	C19	H192	68.4°	90.0°
H181	C18	C19	H191	49.3°	90.0°
H182	C18	C19	C23	72.2°	90.0°
H182	C18	C19	H192	50.6°	90.0°
H182	C18	C19	H191	168.3°	90.0°
C23	C19	H192	H191	113.9°	90.0°
C19	C23	O23	O4	175.9°	90.0°
C19	C23	O23	HO32	180.0°	90.0°
H192	C19	C23	O23	27.4°	90.0°
H192	C19	C23	O4	148.7°	90.0°
H191	C19	C23	O23	86.3°	90.0°
H191	C19	C23	O4	97.7°	90.0°
O1	C21	O2	HO2	7.5°	90.0°
O3	C22	O22	HO22	9.2°	90.0°
O4	C23	O23	HO32	4.1°	90.0°
O5	C24	O6	HO6	10.1°	90.0°

Definition date:	2003-06-23
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1PBZ