PRC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C2	doub	1.38Å	1.40Å	Aromatic
C1	C6	sing	1.38Å	1.43Å	Aromatic
C1	HC1	sing	1.08Å	1.10Å
C2	N3	sing	1.32Å	1.36Å	Aromatic
C2	HC2	sing	1.08Å	1.10Å
N3	C4	doub	1.32Å	1.37Å	Aromatic
C4	C5	sing	1.39Å	1.42Å	Aromatic
C4	HC4	sing	1.08Å	1.10Å
C5	C6	doub	1.40Å	1.41Å	Aromatic
C5	C7	sing	1.48Å	1.46Å	Aromatic
C6	HC6	sing	1.08Å	1.10Å
C7	N8	doub	1.33Å	1.38Å	Aromatic
C7	C12	sing	1.40Å	1.41Å	Aromatic
N8	C9	sing	1.32Å	1.36Å	Aromatic
C9	N10	doub	1.32Å	1.37Å	Aromatic
C9	N13	sing	1.38Å	1.35Å
N10	C11	sing	1.32Å	1.36Å	Aromatic
C11	C12	doub	1.38Å	1.41Å	Aromatic
C11	H11C	sing	1.08Å	1.10Å
C12	H12C	sing	1.08Å	1.10Å
N13	C14	sing	1.40Å	1.41Å
N13	H13N	sing	0.97Å	1.02Å
C14	C15	doub	1.39Å	1.43Å	Aromatic
C14	C19	sing	1.39Å	1.43Å	Aromatic
C15	C16	sing	1.39Å	1.44Å	Aromatic
C15	H15C	sing	1.08Å	1.10Å
C16	C17	doub	1.39Å	1.40Å	Aromatic
C16	N21	sing	1.40Å	1.42Å
C17	C18	sing	1.38Å	1.40Å	Aromatic
C17	H17C	sing	1.08Å	1.10Å
C18	C19	doub	1.38Å	1.42Å	Aromatic
C18	H18C	sing	1.08Å	1.10Å
C19	C20	sing	1.51Å	1.52Å
C20	H201	sing	1.09Å	1.12Å
C20	H202	sing	1.09Å	1.11Å
C20	H203	sing	1.09Å	1.12Å
N21	C22	sing	1.35Å	1.34Å
N21	H21N	sing	0.97Å	1.02Å
C22	C23	sing	1.48Å	1.47Å
C22	O29	doub	1.21Å	1.23Å
C23	C25	doub	1.40Å	1.42Å	Aromatic
C23	C29	sing	1.40Å	1.41Å	Aromatic
C25	C26	sing	1.38Å	1.42Å	Aromatic
C25	H25C	sing	1.08Å	1.10Å
C26	C27	doub	1.38Å	1.40Å	Aromatic
C26	H26C	sing	1.08Å	1.10Å
C27	N28	sing	1.32Å	1.37Å	Aromatic
C27	H27C	sing	1.08Å	1.10Å
N28	C29	doub	1.32Å	1.37Å	Aromatic
C29	H29C	sing	1.08Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	C1	C6	118.7°	119.2°
C2	C1	HC1	119.8°	120.3°
C1	C2	N3	120.0°	121.0°
C1	C2	HC2	121.6°	119.4°
C6	C1	HC1	121.4°	120.4°
C1	C6	C5	120.4°	118.4°
C1	C6	HC6	120.2°	120.8°
N3	C2	HC2	118.4°	119.5°
C2	N3	C4	122.6°	121.9°
N3	C4	C5	120.6°	120.6°
N3	C4	HC4	117.9°	119.7°
C5	C4	HC4	121.5°	119.7°
C4	C5	C6	117.7°	118.9°
C4	C5	C7	119.6°	120.5°
C6	C5	C7	122.7°	120.6°
C5	C6	HC6	119.3°	120.8°
C5	C7	N8	120.1°	120.5°
C5	C7	C12	122.0°	120.5°
N8	C7	C12	117.8°	119.0°
C7	N8	C9	123.2°	120.7°
C7	C12	C11	119.0°	118.4°
C7	C12	H12C	120.4°	120.8°
N8	C9	N10	118.3°	121.7°
N8	C9	N13	122.9°	119.2°
N10	C9	N13	118.8°	119.1°
C9	N10	C11	122.1°	120.9°
C9	N13	C14	125.1°	120.0°
C9	N13	H13N	106.7°	120.0°
N10	C11	C12	119.6°	119.3°
N10	C11	H11C	118.3°	120.3°
C12	C11	H11C	122.1°	120.3°
C11	C12	H12C	120.5°	120.8°
C14	N13	H13N	106.7°	120.0°
N13	C14	C15	116.4°	120.0°
N13	C14	C19	123.7°	120.0°
C15	C14	C19	119.8°	120.0°
C14	C15	C16	120.6°	119.9°
C14	C15	H15C	119.4°	120.1°
C14	C19	C18	118.3°	120.0°
C14	C19	C20	127.2°	120.1°
C16	C15	H15C	120.0°	120.1°
C15	C16	C17	118.1°	119.9°
C15	C16	N21	122.6°	120.1°
C17	C16	N21	119.3°	120.0°
C16	C17	C18	121.7°	120.1°
C16	C17	H17C	119.0°	119.9°
C16	N21	C22	127.6°	120.0°
C16	N21	H21N	119.4°	120.0°
C18	C17	H17C	119.3°	120.0°
C17	C18	C19	121.3°	120.2°
C17	C18	H18C	118.6°	120.0°
C19	C18	H18C	120.0°	119.9°
C18	C19	C20	114.5°	119.9°
C19	C20	H201	127.2°	109.5°
C19	C20	H202	106.0°	109.4°
C19	C20	H203	106.0°	109.5°
H201	C20	H202	106.0°	109.4°
H201	C20	H203	105.9°	109.5°
H202	C20	H203	103.4°	109.5°
C22	N21	H21N	113.0°	120.0°
N21	C22	C23	120.4°	120.0°
N21	C22	O29	123.4°	120.0°
C23	C22	O29	116.2°	120.0°
C22	C23	C25	120.8°	120.6°
C22	C23	C29	121.4°	120.5°
C25	C23	C29	117.8°	118.9°
C23	C25	C26	121.0°	118.3°
C23	C25	H25C	119.8°	120.8°
C23	C29	N28	120.2°	120.6°
C23	C29	H29C	121.2°	119.8°
C26	C25	H25C	119.2°	120.9°
C25	C26	C27	118.4°	119.3°
C25	C26	H26C	121.2°	120.3°
C27	C26	H26C	120.4°	120.3°
C26	C27	N28	120.0°	121.1°
C26	C27	H27C	121.2°	119.5°
N28	C27	H27C	118.8°	119.5°
C27	N28	C29	122.6°	121.9°
N28	C29	H29C	118.6°	119.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	C1	C6	HC1	180.0°	179.9°
C1	C2	N3	HC2	180.0°	180.0°
C1	C2	N3	C4	0.1°	0.3°
C2	C1	C6	C5	0.0°	0.1°
C2	C1	C6	HC6	179.9°	179.9°
C6	C1	C2	N3	0.0°	0.0°
C6	C1	C2	HC2	180.0°	180.0°
C1	C6	C5	C4	0.1°	0.2°
C1	C6	C5	HC6	180.0°	179.9°
C1	C6	C5	C7	179.7°	179.9°
HC1	C1	C2	N3	179.9°	179.9°
HC1	C1	C2	HC2	0.1°	0.0°
HC1	C1	C6	C5	179.9°	180.0°
HC1	C1	C6	HC6	0.1°	0.1°
C2	N3	C4	C5	0.1°	0.6°
C2	N3	C4	HC4	179.9°	180.0°
HC2	C2	N3	C4	179.9°	179.7°
N3	C4	C5	HC4	180.0°	179.4°
N3	C4	C5	C6	0.1°	0.5°
N3	C4	C5	C7	179.7°	179.7°
C4	C5	C6	C7	179.6°	179.8°
C4	C5	C6	HC6	179.9°	179.7°
C4	C5	C7	N8	27.4°	140.2°
C4	C5	C7	C12	152.0°	40.0°
HC4	C4	C5	C6	179.9°	179.9°
HC4	C4	C5	C7	0.3°	0.3°
C6	C5	C7	N8	153.0°	39.5°
C6	C5	C7	C12	27.5°	140.3°
C7	C5	C6	HC6	0.3°	0.1°
C5	C7	N8	C12	179.5°	179.8°
C5	C7	N8	C9	179.5°	179.7°
C5	C7	C12	C11	179.5°	180.0°
C5	C7	C12	H12C	0.6°	0.0°
C7	N8	C9	N10	0.1°	0.6°
C7	N8	C9	N13	179.9°	179.7°
N8	C7	C12	C11	0.0°	0.2°
N8	C7	C12	H12C	180.0°	179.8°
C12	C7	N8	C9	0.1°	0.5°
C7	C12	C11	N10	0.0°	0.0°
C7	C12	C11	H12C	180.0°	180.0°
C7	C12	C11	H11C	180.0°	180.0°
N8	C9	N10	N13	180.0°	179.7°
N8	C9	N10	C11	0.0°	0.3°
N8	C9	N13	C14	167.7°	174.1°
N8	C9	N13	H13N	42.4°	6.0°
C9	N10	C11	C12	0.0°	0.0°
C9	N10	C11	H11C	180.0°	180.0°
N10	C9	N13	C14	12.3°	6.3°
N10	C9	N13	H13N	137.6°	173.7°
N13	C9	N10	C11	179.9°	180.0°
C9	N13	C14	H13N	125.2°	180.0°
C9	N13	C14	C15	118.6°	32.6°
C9	N13	C14	C19	62.2°	148.0°
N10	C11	C12	H11C	180.0°	180.0°
N10	C11	C12	H12C	179.9°	180.0°
H11C	C11	C12	H12C	0.0°	0.0°
N13	C14	C15	C19	179.3°	179.4°
N13	C14	C15	C16	179.8°	179.9°
N13	C14	C15	H15C	0.2°	0.2°
N13	C14	C19	C18	179.9°	180.0°
N13	C14	C19	C20	0.5°	0.3°
H13N	N13	C14	C15	116.2°	147.4°
H13N	N13	C14	C19	63.0°	32.0°
C14	C15	C16	H15C	180.0°	179.9°
C14	C15	C16	C17	0.4°	0.2°
C14	C15	C16	N21	179.0°	179.8°
C15	C14	C19	C18	0.7°	0.6°
C15	C14	C19	C20	179.7°	179.7°
C19	C14	C15	C16	0.6°	0.5°
C19	C14	C15	H15C	179.5°	179.6°
C14	C19	C18	C17	0.7°	0.3°
C14	C19	C18	C20	179.6°	179.7°
C14	C19	C18	H18C	179.2°	179.7°
C14	C19	C20	H201	180.0°	90.3°
C14	C19	C20	H202	54.7°	29.6°
C14	C19	C20	H203	54.8°	149.7°
C15	C16	C17	N21	178.6°	180.0°
C15	C16	C17	C18	0.5°	0.0°
C15	C16	C17	H17C	179.6°	180.0°
C15	C16	N21	C22	28.1°	142.9°
C15	C16	N21	H21N	151.9°	37.2°
H15C	C15	C16	C17	179.6°	179.9°
H15C	C15	C16	N21	1.1°	0.1°
C16	C17	C18	H17C	179.9°	180.0°
C16	C17	C18	C19	0.6°	0.0°
C16	C17	C18	H18C	179.3°	179.9°
C17	C16	N21	C22	150.5°	37.1°
C17	C16	N21	H21N	29.6°	142.8°
N21	C16	C17	C18	179.1°	180.0°
N21	C16	C17	H17C	1.0°	0.0°
C16	N21	C22	H21N	179.9°	179.9°
C16	N21	C22	C23	177.2°	175.6°
C16	N21	C22	O29	1.1°	4.4°
C17	C18	C19	H18C	179.9°	179.9°
C17	C18	C19	C20	179.7°	180.0°
H17C	C17	C18	C19	179.4°	180.0°
H17C	C17	C18	H18C	0.6°	0.0°
C18	C19	C20	H201	0.4°	90.0°
C18	C19	C20	H202	125.7°	150.0°
C18	C19	C20	H203	124.8°	30.0°
H18C	C18	C19	C20	0.4°	0.1°
C19	C20	H201	H202	125.3°	119.9°
C19	C20	H201	H203	125.2°	120.1°
C19	C20	H202	H203	111.3°	120.1°
H201	C20	H202	H203	111.3°	120.0°
N21	C22	C23	O29	178.4°	180.0°
N21	C22	C23	C25	178.7°	180.0°
N21	C22	C23	C29	0.8°	0.3°
H21N	N21	C22	C23	2.9°	4.3°
H21N	N21	C22	O29	178.9°	175.7°
C22	C23	C25	C29	179.5°	179.8°
C22	C23	C25	C26	179.6°	180.0°
C22	C23	C25	H25C	0.4°	0.0°
C22	C23	C29	N28	179.5°	179.7°
C22	C23	C29	H29C	0.6°	0.3°
O29	C22	C23	C25	0.3°	0.0°
O29	C22	C23	C29	179.2°	179.7°
C23	C25	C26	H25C	180.0°	180.0°
C23	C25	C26	C27	0.1°	0.0°
C23	C25	C26	H26C	179.9°	180.0°
C25	C23	C29	N28	0.0°	0.5°
C25	C23	C29	H29C	179.9°	180.0°
C29	C23	C25	C26	0.1°	0.3°
C29	C23	C25	H25C	179.9°	179.8°
C23	C29	N28	C27	0.2°	0.5°
C23	C29	N28	H29C	180.0°	179.5°
C25	C26	C27	H26C	180.0°	180.0°
C25	C26	C27	N28	0.1°	0.0°
C25	C26	C27	H27C	179.9°	179.9°
H25C	C25	C26	C27	180.0°	179.9°
H25C	C25	C26	H26C	0.1°	0.0°
C26	C27	N28	H27C	180.0°	179.9°
C26	C27	N28	C29	0.2°	0.2°
H26C	C26	C27	N28	179.9°	180.0°
H26C	C26	C27	H27C	0.1°	0.1°
C27	N28	C29	H29C	179.8°	180.0°
H27C	C27	N28	C29	179.7°	179.7°

Definition date:	2000-09-13
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1FPU