46A

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C25	sing	1.33Å	1.35Å	Aromatic
C5	N	sing	1.46Å	1.47Å
C5	H5	sing	1.09Å	1.10Å
C5	H5A	sing	1.09Å	1.10Å
C6	C5	sing	1.51Å	1.53Å
C7	C6	doub	1.38Å	1.42Å	Aromatic
C7	H7	sing	1.08Å	1.08Å
C8	C7	sing	1.38Å	1.41Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
C10	C11	doub	1.38Å	1.42Å	Aromatic
C10	H10	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C15	C14	doub	1.38Å	1.42Å	Aromatic
C15	H15	sing	1.08Å	1.08Å
C17	C12	sing	1.40Å	1.52Å	Aromatic
C28	C27	doub	1.39Å	1.40Å	Aromatic
C28	H28	sing	1.08Å	1.08Å
C	C31	sing	1.53Å	1.53Å
C	H	sing	1.09Å	1.10Å
C	HA	sing	1.09Å	1.10Å
C2	C	sing	1.53Å	1.51Å
C2	H2	sing	1.09Å	1.10Å
C2	H2A	sing	1.09Å	1.10Å
C3	C2	sing	1.53Å	1.54Å
C3	H3	sing	1.09Å	1.10Å
C3	H3A	sing	1.09Å	1.10Å
N	C3	sing	1.46Å	1.47Å
C9	C8	doub	1.39Å	1.42Å	Aromatic
C9	C10	sing	1.39Å	1.40Å	Aromatic
C11	C6	sing	1.38Å	1.42Å	Aromatic
C11	H11	sing	1.08Å	1.08Å
C12	C13	doub	1.39Å	1.39Å	Aromatic
C12	C9	sing	1.48Å	1.50Å	Aromatic
C14	C13	sing	1.38Å	1.41Å	Aromatic
C14	H14	sing	1.08Å	1.08Å
C16	C15	sing	1.38Å	1.42Å	Aromatic
C16	C17	doub	1.39Å	1.41Å	Aromatic
C16	H16	sing	1.08Å	1.08Å
C18	C17	sing	1.48Å	1.50Å	Aromatic
N19	C18	sing	1.34Å	1.35Å	Aromatic
N20	N19	doub	1.29Å	1.37Å	Aromatic
N20	N21	sing	1.29Å	1.37Å	Aromatic
N21	N22	sing	1.29Å	1.37Å	Aromatic
N22	C18	doub	1.32Å	1.36Å	Aromatic
C23	N1	doub	1.32Å	1.35Å	Aromatic
C23	C28	sing	1.39Å	1.40Å	Aromatic
C25	N	sing	1.38Å	1.39Å
C25	N2	doub	1.32Å	1.37Å	Aromatic
C27	N2	sing	1.32Å	1.37Å	Aromatic
C27	C29	sing	1.51Å	1.50Å
C29	H29	sing	1.09Å	1.10Å
C29	H29A	sing	1.09Å	1.10Å
C29	H29B	sing	1.09Å	1.10Å
C30	C23	sing	1.51Å	1.50Å
C30	H30	sing	1.09Å	1.10Å
C30	H30A	sing	1.09Å	1.10Å
C30	H30B	sing	1.09Å	1.10Å
C31	H31	sing	1.09Å	1.10Å
C31	H31A	sing	1.09Å	1.10Å
C31	H31B	sing	1.09Å	1.10Å
N21	H27	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C25	N1	C23	118.5°	120.7°
N1	C25	N	117.8°	119.2°
N1	C25	N2	122.8°	121.5°
N	C5	H5	106.3°	109.5°
N	C5	H5A	106.3°	109.5°
N	C5	C6	119.4°	109.5°
C5	N	C3	115.1°	120.0°
C5	N	C25	121.8°	120.0°
H5	C5	H5A	112.5°	109.4°
H5	C5	C6	106.3°	109.4°
H5A	C5	C6	106.3°	109.4°
C5	C6	C7	116.9°	119.9°
C5	C6	C11	124.6°	119.9°
C6	C7	H7	119.9°	119.9°
C6	C7	C8	120.2°	120.1°
C7	C6	C11	118.5°	120.3°
H7	C7	C8	119.9°	119.9°
C7	C8	H8	119.4°	120.1°
C7	C8	C9	121.3°	119.9°
H8	C8	C9	119.4°	120.0°
C11	C10	H10	119.7°	120.1°
C11	C10	C9	120.6°	119.8°
C10	C11	C6	120.8°	120.1°
C10	C11	H11	119.6°	119.9°
H10	C10	C9	119.7°	120.1°
H13	C13	C12	119.2°	120.0°
H13	C13	C14	119.2°	120.1°
C14	C15	H15	120.0°	119.8°
C15	C14	C13	120.9°	120.4°
C15	C14	H14	119.6°	119.8°
C14	C15	C16	120.1°	120.3°
H15	C15	C16	119.9°	119.9°
C17	C12	C13	118.2°	119.6°
C17	C12	C9	123.4°	120.2°
C12	C17	C16	118.8°	119.7°
C12	C17	C18	122.4°	120.1°
C27	C28	H28	121.8°	120.7°
C27	C28	C23	116.4°	118.6°
C28	C27	N2	121.2°	119.2°
C28	C27	C29	120.8°	120.4°
H28	C28	C23	121.8°	120.7°
C31	C	H	107.7°	109.5°
C31	C	HA	107.8°	109.4°
C31	C	C2	114.7°	109.5°
C	C31	H31	109.5°	109.5°
C	C31	H31A	109.5°	109.4°
C	C31	H31B	109.5°	109.5°
H	C	HA	111.1°	109.4°
H	C	C2	107.8°	109.5°
HA	C	C2	107.8°	109.5°
C	C2	H2	109.7°	109.4°
C	C2	H2A	109.7°	109.4°
C	C2	C3	108.8°	109.4°
H2	C2	H2A	109.2°	109.5°
H2	C2	C3	109.7°	109.5°
H2A	C2	C3	109.7°	109.4°
C2	C3	H3	108.8°	109.5°
C2	C3	H3A	108.8°	109.4°
C2	C3	N	111.5°	109.4°
H3	C3	H3A	110.1°	109.5°
H3	C3	N	108.8°	109.5°
H3A	C3	N	108.8°	109.5°
C3	N	C25	123.1°	120.0°
C8	C9	C10	118.7°	119.8°
C8	C9	C12	120.4°	120.1°
C10	C9	C12	120.9°	120.1°
C6	C11	H11	119.6°	120.0°
C13	C12	C9	118.5°	120.2°
C12	C13	C14	121.5°	120.0°
C13	C14	H14	119.6°	119.7°
C15	C16	C17	120.6°	120.0°
C15	C16	H16	119.7°	120.0°
C17	C16	H16	119.7°	120.0°
C16	C17	C18	118.8°	120.2°
C17	C18	N19	125.2°	126.7°
C17	C18	N22	127.7°	126.7°
C18	N19	N20	109.1°	107.3°
N19	C18	N22	107.1°	106.6°
N19	N20	N21	107.7°	109.0°
N20	N21	N22	106.5°	109.3°
N20	N21	H27	126.8°	125.3°
N21	N22	C18	109.6°	107.8°
N22	N21	H27	126.7°	125.3°
N1	C23	C28	122.3°	119.2°
N1	C23	C30	117.5°	120.4°
C28	C23	C30	120.2°	120.4°
N	C25	N2	119.4°	119.2°
C25	N2	C27	118.8°	120.8°
N2	C27	C29	118.1°	120.4°
C27	C29	H29	109.5°	109.5°
C27	C29	H29A	109.5°	109.5°
C27	C29	H29B	109.5°	109.5°
H29	C29	H29A	109.4°	109.4°
H29	C29	H29B	109.5°	109.4°
H29A	C29	H29B	109.5°	109.5°
C23	C30	H30	109.5°	109.5°
C23	C30	H30A	109.5°	109.5°
C23	C30	H30B	109.5°	109.5°
H30	C30	H30A	109.4°	109.5°
H30	C30	H30B	109.5°	109.4°
H30A	C30	H30B	109.5°	109.5°
H31	C31	H31A	109.4°	109.4°
H31	C31	H31B	109.5°	109.5°
H31A	C31	H31B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N1	C25	N	C5	0.2°	0.1°
N1	C25	N	C3	178.7°	180.0°
C25	N1	C23	C28	0.1°	0.0°
N1	C25	N	N2	179.3°	180.0°
N1	C25	N2	C27	0.2°	0.0°
C25	N1	C23	C30	179.7°	180.0°
N	C5	H5	H5A	115.9°	120.0°
N	C5	H5	C6	128.2°	120.1°
N	C5	H5A	C6	128.2°	120.1°
N	C5	C6	C7	153.4°	90.0°
C5	N	C3	C2	103.3°	90.1°
C5	N	C3	H3	136.7°	29.9°
C5	N	C3	H3A	16.7°	150.0°
C5	N	C3	C25	179.0°	179.9°
N	C5	C6	C11	26.9°	90.2°
C5	N	C25	N2	179.5°	180.0°
H5	C5	H5A	C6	115.9°	119.9°
H5	C5	C6	C7	33.4°	150.0°
H5	C5	N	C3	33.5°	30.1°
H5	C5	C6	C11	146.9°	29.8°
H5	C5	N	C25	145.6°	150.0°
H5A	C5	C6	C7	86.6°	30.1°
H5A	C5	N	C3	153.5°	150.0°
H5A	C5	C6	C11	93.1°	149.7°
H5A	C5	N	C25	25.5°	30.1°
C5	C6	C7	C11	179.7°	179.8°
C5	C6	C7	H7	0.1°	0.0°
C5	C6	C7	C8	179.9°	179.9°
C5	C6	C11	C10	179.9°	179.7°
C6	C5	N	C3	86.5°	89.9°
C5	C6	C11	H11	0.1°	0.2°
C6	C5	N	C25	94.5°	90.0°
C6	C7	H7	C8	180.0°	179.9°
C6	C7	C8	H8	179.7°	180.0°
C7	C6	C11	C10	0.2°	0.5°
C6	C7	C8	C9	0.2°	0.0°
C7	C6	C11	H11	179.8°	180.0°
H7	C7	C8	H8	0.3°	0.1°
H7	C7	C8	C9	179.7°	180.0°
H7	C7	C6	C11	179.6°	179.8°
C7	C8	H8	C9	180.0°	179.9°
C7	C8	C9	C10	0.1°	0.0°
C8	C7	C6	C11	0.4°	0.3°
C7	C8	C9	C12	179.5°	180.0°
H8	C8	C9	C10	179.9°	180.0°
H8	C8	C9	C12	0.5°	0.1°
C11	C10	H10	C9	180.0°	179.5°
C11	C10	C9	C8	0.3°	0.2°
C10	C11	C6	H11	180.0°	179.5°
C11	C10	C9	C12	179.3°	179.8°
H10	C10	C9	C8	179.7°	179.8°
H10	C10	C11	C6	179.9°	180.0°
H10	C10	C11	H11	0.2°	0.5°
H10	C10	C9	C12	0.7°	0.2°
H13	C13	C14	C15	179.9°	180.0°
H13	C13	C12	C17	179.7°	180.0°
H13	C13	C12	C14	180.0°	179.7°
H13	C13	C12	C9	0.3°	0.0°
H13	C13	C14	H14	0.1°	0.0°
C14	C15	H15	C16	180.0°	180.0°
C15	C14	C13	C12	0.1°	0.3°
C15	C14	C13	H14	180.0°	180.0°
C14	C15	C16	C17	0.3°	0.3°
C14	C15	C16	H16	179.7°	180.0°
H15	C15	C14	C13	179.8°	180.0°
H15	C15	C14	H14	0.2°	0.0°
H15	C15	C16	C17	179.7°	179.7°
H15	C15	C16	H16	0.3°	0.0°
C17	C12	C9	C8	64.2°	130.0°
C17	C12	C9	C10	116.2°	50.0°
C17	C12	C13	C9	180.0°	179.9°
C17	C12	C13	C14	0.3°	0.3°
C12	C17	C16	C15	0.1°	0.2°
C12	C17	C16	C18	180.0°	179.9°
C12	C17	C16	H16	179.9°	180.0°
C12	C17	C18	N19	115.1°	0.0°
C12	C17	C18	N22	64.1°	179.7°
C27	C28	H28	C23	180.0°	180.0°
C27	C28	C23	N1	0.2°	0.0°
C28	C27	N2	C25	0.1°	0.0°
C28	C27	N2	C29	180.0°	180.0°
C28	C27	C29	H29	180.0°	90.0°
C28	C27	C29	H29A	60.0°	150.0°
C28	C27	C29	H29B	60.0°	30.0°
C27	C28	C23	C30	180.0°	180.0°
H28	C28	C23	N1	179.8°	180.0°
H28	C28	C27	N2	179.6°	180.0°
H28	C28	C27	C29	0.3°	0.0°
H28	C28	C23	C30	0.0°	0.0°
C31	C	H	HA	117.8°	119.9°
C31	C	H	C2	124.3°	120.0°
C31	C	HA	C2	124.3°	120.0°
C31	C	C2	H2	71.0°	60.0°
C31	C	C2	H2A	49.0°	60.0°
C31	C	C2	C3	169.0°	180.0°
C	C31	H31	H31A	120.0°	119.9°
C	C31	H31	H31B	120.0°	120.0°
C	C31	H31A	H31B	120.0°	120.0°
H	C	HA	C2	117.9°	120.0°
H	C	C2	H2	169.1°	60.0°
H	C	C2	H2A	70.9°	179.9°
H	C	C2	C3	49.0°	60.0°
H	C	C31	H31	60.0°	180.0°
H	C	C31	H31A	60.0°	60.1°
H	C	C31	H31B	180.0°	60.0°
HA	C	C2	H2	49.0°	180.0°
HA	C	C2	H2A	169.0°	60.0°
HA	C	C2	C3	71.0°	60.0°
HA	C	C31	H31	60.0°	60.1°
HA	C	C31	H31A	180.0°	180.0°
HA	C	C31	H31B	60.0°	60.0°
C	C2	H2	H2A	120.3°	120.0°
C	C2	H2	C3	119.4°	120.0°
C	C2	H2A	C3	119.4°	119.9°
C	C2	C3	H3	126.7°	60.0°
C	C2	C3	H3A	6.7°	60.1°
C	C2	C3	N	113.3°	180.0°
C2	C	C31	H31	180.0°	60.0°
C2	C	C31	H31A	60.0°	60.0°
C2	C	C31	H31B	60.0°	180.0°
H2	C2	H2A	C3	120.3°	120.1°
H2	C2	C3	H3	113.3°	180.0°
H2	C2	C3	H3A	126.7°	59.9°
H2	C2	C3	N	6.7°	60.0°
H2A	C2	C3	H3	6.7°	59.9°
H2A	C2	C3	H3A	113.3°	180.0°
H2A	C2	C3	N	126.7°	60.1°
C2	C3	H3	H3A	119.2°	120.0°
C2	C3	H3	N	121.6°	119.9°
C2	C3	H3A	N	121.6°	119.9°
C2	C3	N	C25	75.7°	90.0°
H3	C3	H3A	N	119.2°	120.1°
H3	C3	N	C25	44.3°	150.0°
H3A	C3	N	C25	164.3°	29.9°
C3	N	C25	N2	0.6°	0.1°
C8	C9	C10	C12	179.6°	180.0°
C8	C9	C12	C13	115.8°	49.9°
C9	C10	C11	C6	0.2°	0.4°
C9	C10	C11	H11	179.8°	180.0°
C10	C9	C12	C13	63.8°	130.0°
C12	C13	C14	H14	179.9°	179.7°
C13	C12	C17	C16	0.2°	0.1°
C13	C12	C17	C18	179.8°	180.0°
C9	C12	C13	C14	179.7°	179.8°
C9	C12	C17	C16	179.8°	180.0°
C9	C12	C17	C18	0.2°	0.1°
C13	C14	C15	C16	0.2°	0.0°
H14	C14	C15	C16	179.8°	180.0°
C15	C16	C17	H16	180.0°	179.7°
C15	C16	C17	C18	179.9°	179.7°
C16	C17	C18	N19	64.9°	180.0°
C16	C17	C18	N22	115.9°	0.2°
H16	C16	C17	C18	0.1°	0.0°
C17	C18	N19	N22	179.3°	179.8°
C17	C18	N19	N20	179.6°	180.0°
C17	C18	N22	N21	179.5°	179.8°
C18	N19	N20	N21	0.2°	0.0°
N19	C18	N22	N21	0.2°	0.4°
N19	N20	N21	N22	0.1°	0.3°
N20	N19	C18	N22	0.3°	0.2°
N19	N20	N21	H27	179.9°	180.0°
N20	N21	N22	H27	180.0°	179.7°
N20	N21	N22	C18	0.1°	0.5°
C18	N22	N21	H27	179.9°	179.8°
N1	C23	C28	C30	179.8°	180.0°
C23	N1	C25	N	179.0°	180.0°
C23	N1	C25	N2	0.3°	0.0°
N1	C23	C30	H30	0.0°	90.0°
N1	C23	C30	H30A	120.0°	150.0°
N1	C23	C30	H30B	120.0°	30.0°
C23	C28	C27	N2	0.3°	0.0°
C23	C28	C27	C29	179.7°	180.0°
C28	C23	C30	H30	179.8°	90.1°
C28	C23	C30	H30A	59.8°	30.0°
C28	C23	C30	H30B	60.2°	150.0°
N	C25	N2	C27	179.1°	179.9°
C25	N2	C27	C29	179.9°	180.0°
N2	C27	C29	H29	0.0°	90.1°
N2	C27	C29	H29A	120.0°	29.9°
N2	C27	C29	H29B	120.0°	150.0°
C27	C29	H29	H29A	120.0°	120.1°
C27	C29	H29	H29B	120.0°	120.0°
C27	C29	H29A	H29B	120.0°	120.1°
H29	C29	H29A	H29B	120.0°	119.9°
C23	C30	H30	H30A	120.0°	120.0°
C23	C30	H30	H30B	120.0°	120.0°
C23	C30	H30A	H30B	120.0°	120.0°
H30	C30	H30A	H30B	120.0°	120.0°
H31	C31	H31A	H31B	120.0°	120.0°

Definition date:	2010-08-03
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3O2M