09M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	C16	sing	1.51Å	1.50Å
C16	N1	doub	1.32Å	1.33Å	Aromatic
C16	C15	sing	1.39Å	1.40Å	Aromatic
N1	C3	sing	1.32Å	1.33Å	Aromatic
O6	C15	sing	1.36Å	1.33Å
C15	C4	doub	1.39Å	1.38Å	Aromatic
C3	C2	doub	1.38Å	1.37Å	Aromatic
C4	C2	sing	1.39Å	1.39Å	Aromatic
C4	C5	sing	1.51Å	1.51Å
C2	C1	sing	1.51Å	1.50Å
O3	C1	sing	1.43Å	1.31Å
O3	P	sing	1.61Å	1.60Å
C5	N2	sing	1.46Å	1.45Å
O2	P	doub	1.48Å	1.50Å
N2	C6	sing	1.40Å	1.32Å
O4	C7	doub	1.22Å	1.21Å
P	O7	sing	1.61Å	1.50Å
P	O1	sing	1.61Å	1.50Å
C6	C7	sing	1.46Å	1.42Å
C6	C8	doub	1.36Å	1.31Å
C7	N3	sing	1.34Å	1.32Å
C8	C9	sing	1.46Å	1.41Å
N3	O5	sing	1.42Å	1.39Å
N3	C10	sing	1.38Å	1.34Å
C9	C10	doub	1.41Å	1.40Å	Aromatic
C9	C14	sing	1.40Å	1.39Å	Aromatic
C10	C11	sing	1.39Å	1.38Å	Aromatic
C14	C13	doub	1.37Å	1.37Å	Aromatic
C11	C12	doub	1.38Å	1.38Å	Aromatic
C13	C12	sing	1.39Å	1.37Å	Aromatic
N2	H1	sing	0.97Å	1.00Å
C13	H2	sing	1.08Å	1.08Å
C8	H3	sing	1.08Å	1.08Å
O7	H4	sing	0.97Å	0.95Å
O1	H5	sing	0.97Å	0.95Å
C1	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C3	H8	sing	1.08Å	1.08Å
C17	H9	sing	1.09Å	1.10Å
C17	H10	sing	1.09Å	1.10Å
C17	H11	sing	1.09Å	1.10Å
O6	H12	sing	0.97Å	0.95Å
C5	H13	sing	1.09Å	1.10Å
C5	H14	sing	1.09Å	1.10Å
C14	H15	sing	1.08Å	1.08Å
C12	H16	sing	1.08Å	1.08Å
C11	H17	sing	1.08Å	1.08Å
O5	H18	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C17	C16	N1	117.6°	119.7°
C17	C16	C15	120.6°	119.6°
C16	C17	H9	109.5°	109.4°
C16	C17	H10	109.4°	109.5°
C16	C17	H11	109.5°	109.5°
N1	C16	C15	121.7°	120.7°
C16	N1	C3	118.0°	121.8°
C16	C15	O6	120.1°	120.5°
C16	C15	C4	119.5°	119.0°
N1	C3	C2	124.3°	120.9°
N1	C3	H8	117.8°	119.6°
O6	C15	C4	120.4°	120.5°
C15	O6	H12	109.5°	113.9°
C15	C4	C2	118.4°	118.4°
C15	C4	C5	119.7°	120.8°
C3	C2	C4	118.1°	119.2°
C3	C2	C1	121.8°	120.4°
C2	C3	H8	117.9°	119.6°
C2	C4	C5	121.8°	120.8°
C4	C2	C1	120.1°	120.4°
C4	C5	N2	111.1°	109.5°
C4	C5	H13	108.9°	109.5°
C4	C5	H14	108.9°	109.5°
C2	C1	O3	99.6°	109.5°
C2	C1	H6	112.9°	109.5°
C2	C1	H7	112.9°	109.5°
C1	O3	P	120.5°	123.0°
O3	C1	H6	112.9°	109.5°
O3	C1	H7	112.9°	109.5°
O3	P	O2	103.6°	109.5°
O3	P	O7	107.1°	109.5°
O3	P	O1	105.4°	109.5°
C5	N2	C6	120.9°	120.0°
C5	N2	H1	105.9°	120.0°
N2	C5	H13	108.9°	109.5°
N2	C5	H14	108.9°	109.4°
O2	P	O7	112.9°	109.4°
O2	P	O1	113.8°	109.5°
N2	C6	C7	120.7°	120.2°
N2	C6	C8	119.5°	120.3°
C6	N2	H1	105.8°	120.0°
O4	C7	C6	122.6°	119.5°
O4	C7	N3	120.2°	119.6°
O7	P	O1	113.1°	109.5°
P	O7	H4	109.5°	114.1°
P	O1	H5	109.5°	114.0°
C7	C6	C8	119.6°	119.5°
C6	C7	N3	117.0°	120.8°
C6	C8	C9	121.6°	118.7°
C6	C8	H3	119.2°	120.6°
C7	N3	O5	116.7°	119.4°
C7	N3	C10	126.3°	121.2°
C8	C9	C10	119.0°	119.5°
C8	C9	C14	123.1°	120.6°
C9	C8	H3	119.2°	120.7°
O5	N3	C10	116.8°	119.4°
N3	O5	H18	109.5°	114.0°
N3	C10	C9	116.4°	120.2°
N3	C10	C11	122.4°	120.4°
C10	C9	C14	117.9°	119.8°
C9	C10	C11	121.2°	119.3°
C9	C14	C13	120.7°	119.8°
C9	C14	H15	119.6°	120.1°
C10	C11	C12	119.0°	119.9°
C10	C11	H17	120.5°	120.1°
C14	C13	C12	120.5°	120.5°
C14	C13	H2	119.7°	119.7°
C13	C14	H15	119.6°	120.1°
C11	C12	C13	120.6°	120.7°
C11	C12	H16	119.7°	119.7°
C12	C11	H17	120.5°	120.1°
C12	C13	H2	119.8°	119.7°
C13	C12	H16	119.7°	119.7°
H6	C1	H7	105.8°	109.5°
H9	C17	H10	109.4°	109.5°
H9	C17	H11	109.4°	109.4°
H10	C17	H11	109.5°	109.5°
H13	C5	H14	110.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C17	C16	N1	C15	176.0°	179.7°
C17	C16	N1	C3	173.9°	179.9°
C17	C16	C15	O6	10.8°	0.3°
C17	C16	C15	C4	172.6°	179.7°
C16	C17	H9	H10	120.0°	120.0°
C16	C17	H9	H11	120.0°	120.0°
C16	C17	H10	H11	120.0°	120.0°
N1	C16	C15	O6	173.4°	180.0°
N1	C16	C15	C4	3.2°	0.6°
C16	N1	C3	C2	0.3°	0.1°
C16	N1	C3	H8	179.7°	180.0°
N1	C16	C17	H9	0.0°	89.9°
N1	C16	C17	H10	120.0°	150.0°
N1	C16	C17	H11	120.0°	30.0°
C15	C16	N1	C3	2.0°	0.4°
C16	C15	O6	C4	176.6°	179.4°
C16	C15	C4	C2	2.1°	0.6°
C16	C15	C4	C5	176.8°	179.7°
C15	C16	C17	H9	176.0°	89.8°
C15	C16	C17	H10	56.0°	30.3°
C15	C16	C17	H11	64.0°	150.3°
C16	C15	O6	H12	180.0°	90.1°
N1	C3	C2	H8	180.0°	180.0°
N1	C3	C2	C4	1.4°	0.0°
N1	C3	C2	C1	175.4°	179.9°
O6	C15	C4	C2	174.6°	180.0°
O6	C15	C4	C5	6.6°	0.3°
C15	C4	C2	C3	0.1°	0.3°
C15	C4	C2	C5	178.8°	179.7°
C15	C4	C2	C1	176.7°	179.7°
C15	C4	C5	N2	39.4°	90.3°
C4	C15	O6	H12	3.4°	90.5°
C15	C4	C5	H13	80.6°	29.7°
C15	C4	C5	H14	159.4°	149.7°
C3	C2	C4	C1	176.8°	179.9°
C3	C2	C4	C5	178.9°	180.0°
C3	C2	C1	O3	70.5°	0.0°
C3	C2	C1	H6	49.5°	120.0°
C3	C2	C1	H7	169.5°	120.0°
C4	C2	C1	O3	106.3°	180.0°
C2	C4	C5	N2	141.8°	90.0°
C4	C2	C1	H6	133.7°	60.0°
C4	C2	C1	H7	13.8°	60.0°
C4	C2	C3	H8	178.6°	180.0°
C2	C4	C5	H13	98.2°	150.0°
C2	C4	C5	H14	21.8°	30.0°
C5	C4	C2	C1	2.1°	0.1°
C4	C5	N2	H13	120.0°	120.0°
C4	C5	N2	H14	120.0°	120.0°
C4	C5	N2	C6	149.0°	180.0°
C4	C5	N2	H1	28.9°	0.0°
C4	C5	H13	H14	119.3°	120.0°
C2	C1	O3	H6	120.0°	120.0°
C2	C1	O3	H7	120.0°	120.0°
C2	C1	O3	P	160.0°	180.0°
C2	C1	H6	H7	124.0°	120.0°
C1	C2	C3	H8	4.6°	0.1°
C1	O3	P	O2	178.0°	55.0°
C1	O3	P	O7	58.5°	175.0°
C1	O3	P	O1	62.2°	65.0°
O3	C1	H6	H7	124.0°	120.0°
O3	P	O2	O7	115.5°	120.0°
O3	P	O2	O1	113.9°	120.0°
O3	P	O7	O1	115.6°	120.0°
O3	P	O7	H4	113.3°	180.0°
O3	P	O1	H5	112.8°	60.0°
P	O3	C1	H6	80.0°	60.0°
P	O3	C1	H7	40.0°	60.0°
C5	N2	C6	H1	120.0°	180.0°
C5	N2	C6	C7	179.3°	0.1°
C5	N2	C6	C8	3.7°	180.0°
N2	C5	H13	H14	119.3°	120.0°
O2	P	O7	O1	131.0°	120.0°
O2	P	O7	H4	0.0°	60.0°
O2	P	O1	H5	0.0°	180.0°
N2	C6	C7	O4	11.8°	0.1°
N2	C6	C7	C8	175.6°	179.9°
N2	C6	C7	N3	171.8°	179.9°
N2	C6	C8	C9	173.6°	179.9°
N2	C6	C8	H3	6.4°	0.0°
C6	N2	C5	H13	91.1°	60.0°
C6	N2	C5	H14	28.9°	60.0°
O4	C7	C6	N3	176.3°	180.0°
O4	C7	C6	C8	172.5°	180.0°
O4	C7	N3	O5	11.5°	0.0°
O4	C7	N3	C10	172.9°	179.7°
O7	P	O1	H5	130.6°	60.0°
O1	P	O7	H4	131.0°	60.0°
C7	C6	C8	C9	2.1°	0.0°
C6	C7	N3	O5	172.1°	180.0°
C6	C7	N3	C10	3.5°	0.3°
C7	C6	N2	H1	59.3°	180.0°
C7	C6	C8	H3	177.9°	179.9°
C8	C6	C7	N3	3.8°	0.0°
C6	C8	C9	H3	180.0°	180.0°
C6	C8	C9	C10	0.2°	0.3°
C6	C8	C9	C14	178.7°	179.7°
C8	C6	N2	H1	116.4°	0.1°
C7	N3	O5	C10	176.0°	179.7°
C7	N3	C10	C9	1.3°	0.6°
C7	N3	C10	C11	179.7°	179.8°
C7	N3	O5	H18	5.4°	0.3°
C8	C9	C10	N3	0.7°	0.6°
C8	C9	C10	C14	178.6°	179.4°
C8	C9	C10	C11	178.4°	179.8°
C8	C9	C14	C13	177.7°	179.5°
C8	C9	C14	H15	2.3°	0.6°
O5	N3	C10	C9	174.3°	179.7°
O5	N3	C10	C11	4.8°	0.1°
N3	C10	C9	C11	179.0°	179.6°
N3	C10	C9	C14	179.3°	180.0°
N3	C10	C11	C12	178.6°	180.0°
N3	C10	C11	H17	1.3°	0.1°
C10	N3	O5	H18	178.5°	179.9°
C10	C9	C14	C13	0.8°	0.1°
C9	C10	C11	C12	0.3°	0.4°
C10	C9	C8	H3	179.8°	179.8°
C10	C9	C14	H15	179.2°	180.0°
C9	C10	C11	H17	179.7°	179.7°
C14	C9	C10	C11	0.2°	0.4°
C9	C14	C13	H15	180.0°	179.9°
C9	C14	C13	C12	0.8°	0.2°
C9	C14	C13	H2	179.2°	179.9°
C14	C9	C8	H3	1.3°	0.3°
C10	C11	C12	H17	180.0°	179.9°
C10	C11	C12	C13	0.4°	0.1°
C10	C11	C12	H16	179.6°	180.0°
C14	C13	C12	C11	0.2°	0.2°
C14	C13	C12	H2	180.0°	179.7°
C14	C13	C12	H16	179.9°	179.7°
C11	C12	C13	H16	180.0°	179.9°
C11	C12	C13	H2	179.8°	179.9°
C12	C13	C14	H15	179.2°	179.7°
C13	C12	C11	H17	179.6°	180.0°
H1	N2	C5	H13	148.9°	120.0°
H1	N2	C5	H14	91.1°	120.0°
H2	C13	C14	H15	0.8°	0.0°
H2	C13	C12	H16	0.2°	0.0°
H9	C17	H10	H11	120.0°	120.0°
H16	C12	C11	H17	0.4°	0.1°

Definition date:	2011-11-03
Last modified:	2012-01-27
Release status:	REL
Processing site:	RCSB
Derived from:	3UE8