M0Y

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C7	doub	1.36Å	1.38Å	Aromatic
C8	C9	sing	1.39Å	1.42Å	Aromatic
C7	C5	sing	1.41Å	1.44Å	Aromatic
C9	C10	doub	1.38Å	1.40Å	Aromatic
C5	C6	doub	1.41Å	1.43Å	Aromatic
C5	C4	sing	1.42Å	1.45Å	Aromatic
C6	C1	sing	1.36Å	1.38Å	Aromatic
C10	C4	sing	1.41Å	1.46Å	Aromatic
C10	N1	sing	1.40Å	1.45Å
C4	C3	doub	1.40Å	1.44Å	Aromatic
N2	N1	sing	1.28Å	1.34Å	Aromatic
N2	C13	doub	1.32Å	1.35Å	Aromatic
N1	C11	sing	1.36Å	1.40Å	Aromatic
C1	C2	doub	1.39Å	1.43Å	Aromatic
N3	C14	sing	1.35Å	1.41Å
C3	C2	sing	1.36Å	1.37Å	Aromatic
C13	C14	sing	1.47Å	1.47Å
C13	C12	sing	1.42Å	1.45Å	Aromatic
C11	C12	doub	1.36Å	1.39Å	Aromatic
C14	O1	doub	1.22Å	1.22Å
C12	N4	sing	1.40Å	1.39Å
N4	C15	sing	1.35Å	1.44Å
O2	C15	doub	1.22Å	1.25Å
C15	N5	sing	1.35Å	1.39Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C3	H3	sing	1.08Å	1.08Å
C6	H4	sing	1.08Å	1.08Å
C7	H5	sing	1.08Å	1.08Å
C8	H6	sing	1.08Å	1.08Å
C9	H7	sing	1.08Å	1.08Å
C11	H8	sing	1.08Å	1.08Å
N3	H9	sing	0.97Å	1.00Å
N3	H10	sing	0.97Å	1.00Å
N4	H11	sing	0.97Å	1.00Å
N5	H12	sing	0.97Å	1.00Å
N5	H13	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C7	C8	C9	121.0°	121.1°
C8	C7	C5	120.4°	119.9°
C8	C7	H5	119.8°	120.0°
C7	C8	H6	119.5°	119.5°
C8	C9	C10	120.0°	120.7°
C9	C8	H6	119.5°	119.4°
C8	C9	H7	120.0°	119.6°
C7	C5	C6	120.0°	121.2°
C7	C5	C4	120.6°	119.5°
C5	C7	H5	119.8°	120.1°
C9	C10	C4	121.3°	119.4°
C9	C10	N1	116.7°	120.3°
C10	C9	H7	120.0°	119.6°
C6	C5	C4	119.4°	119.3°
C5	C6	C1	120.1°	119.6°
C5	C6	H4	120.0°	120.2°
C5	C4	C10	116.8°	119.3°
C5	C4	C3	118.3°	119.4°
C6	C1	C2	120.9°	120.9°
C6	C1	H1	119.6°	119.5°
C1	C6	H4	119.9°	120.2°
C4	C10	N1	121.9°	120.3°
C10	C4	C3	124.9°	121.3°
C10	N1	N2	122.1°	124.9°
C10	N1	C11	124.9°	125.0°
C4	C3	C2	120.7°	119.7°
C4	C3	H3	119.7°	120.2°
N1	N2	C13	105.9°	110.3°
N2	N1	C11	113.0°	110.1°
N2	C13	C14	122.3°	126.4°
N2	C13	C12	110.4°	107.0°
N1	C11	C12	105.5°	107.1°
N1	C11	H8	127.3°	126.4°
C1	C2	C3	120.6°	121.0°
C2	C1	H1	119.5°	119.6°
C1	C2	H2	119.7°	119.5°
N3	C14	C13	120.2°	120.0°
N3	C14	O1	120.9°	120.0°
C14	N3	H9	120.0°	120.0°
C14	N3	H10	120.0°	120.0°
C3	C2	H2	119.7°	119.5°
C2	C3	H3	119.6°	120.1°
C14	C13	C12	127.3°	126.5°
C13	C14	O1	118.8°	120.0°
C13	C12	C11	105.3°	105.5°
C13	C12	N4	124.9°	127.2°
C11	C12	N4	129.8°	127.3°
C12	C11	H8	127.3°	126.5°
C12	N4	C15	125.6°	120.0°
C12	N4	H11	117.2°	120.1°
N4	C15	O2	125.1°	120.0°
N4	C15	N5	115.3°	120.0°
C15	N4	H11	117.2°	120.0°
O2	C15	N5	119.6°	120.0°
C15	N5	H12	120.0°	120.0°
C15	N5	H13	120.0°	120.0°
H9	N3	H10	120.0°	120.0°
H12	N5	H13	120.0°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C7	C8	C9	H6	180.0°	179.9°
C8	C7	C5	H5	180.0°	179.9°
C7	C8	C9	C10	0.1°	0.6°
C8	C7	C5	C6	179.1°	179.9°
C8	C7	C5	C4	0.1°	0.5°
C7	C8	C9	H7	179.9°	180.0°
C9	C8	C7	C5	0.8°	0.1°
C8	C9	C10	H7	180.0°	179.3°
C8	C9	C10	C4	1.5°	0.9°
C8	C9	C10	N1	175.4°	180.0°
C9	C8	C7	H5	179.2°	180.0°
C7	C5	C6	C4	179.0°	179.5°
C7	C5	C6	C1	178.0°	180.0°
C7	C5	C4	C10	1.7°	0.3°
C7	C5	C4	C3	177.6°	179.8°
C7	C5	C6	H4	2.0°	0.4°
C5	C7	C8	H6	179.2°	180.0°
C9	C10	C4	C5	2.4°	0.4°
C9	C10	C4	N1	176.8°	179.2°
C9	C10	C4	C3	176.8°	179.5°
C9	C10	N1	N2	40.9°	132.4°
C9	C10	N1	C11	138.0°	48.1°
C10	C9	C8	H6	179.9°	179.3°
C5	C6	C1	H4	180.0°	179.6°
C6	C5	C4	C10	179.3°	179.8°
C6	C5	C4	C3	1.4°	0.2°
C5	C6	C1	C2	0.0°	0.5°
C5	C6	C1	H1	180.0°	179.8°
C6	C5	C7	H5	0.9°	0.0°
C4	C5	C6	C1	1.0°	0.5°
C5	C4	C10	C3	179.2°	179.9°
C5	C4	C10	N1	174.4°	179.5°
C5	C4	C3	C2	0.9°	0.0°
C5	C4	C3	H3	179.1°	180.0°
C4	C5	C6	H4	179.0°	180.0°
C4	C5	C7	H5	179.9°	179.5°
C6	C1	C2	H1	180.0°	179.7°
C6	C1	C2	C3	0.5°	0.3°
C6	C1	C2	H2	179.5°	179.8°
C4	C10	N1	N2	142.1°	48.5°
C4	C10	N1	C11	39.0°	131.1°
C10	C4	C3	C2	179.9°	179.9°
C10	C4	C3	H3	0.1°	0.1°
C4	C10	C9	H7	178.5°	179.8°
N1	C10	C4	C3	6.4°	0.4°
C10	N1	N2	C11	179.0°	179.6°
C10	N1	N2	C13	178.7°	179.9°
C10	N1	C11	C12	178.8°	180.0°
N1	C10	C9	H7	4.6°	0.7°
C10	N1	C11	H8	1.2°	0.1°
C4	C3	C2	C1	0.0°	0.0°
C4	C3	C2	H3	180.0°	180.0°
C4	C3	C2	H2	180.0°	180.0°
N1	N2	C13	C14	177.3°	179.8°
N1	N2	C13	C12	0.3°	0.5°
N2	N1	C11	C12	0.2°	0.3°
N2	N1	C11	H8	179.8°	179.7°
C13	N2	N1	C11	0.4°	0.5°
N2	C13	C14	N3	7.4°	0.3°
N2	C13	C14	C12	176.5°	179.7°
N2	C13	C12	C11	0.2°	0.2°
N2	C13	C14	O1	169.9°	179.6°
N2	C13	C12	N4	178.7°	179.7°
N1	C11	C12	C13	0.0°	0.0°
N1	C11	C12	H8	180.0°	179.9°
N1	C11	C12	N4	178.4°	180.0°
C1	C2	C3	H2	180.0°	180.0°
C1	C2	C3	H3	180.0°	180.0°
C2	C1	C6	H4	180.0°	180.0°
N3	C14	C13	O1	177.4°	179.9°
N3	C14	C13	C12	176.1°	180.0°
C14	N3	H9	H10	179.9°	180.0°
C3	C2	C1	H1	179.5°	180.0°
C14	C13	C12	C11	177.0°	180.0°
C14	C13	C12	N4	4.5°	0.0°
C13	C14	N3	H9	177.3°	0.0°
C13	C14	N3	H10	2.7°	180.0°
C13	C12	C11	N4	178.4°	180.0°
C12	C13	C14	O1	6.5°	0.0°
C13	C12	N4	C15	178.4°	180.0°
C13	C12	C11	H8	180.0°	180.0°
C13	C12	N4	H11	1.6°	0.0°
C11	C12	N4	C15	3.5°	0.0°
C11	C12	N4	H11	176.5°	179.9°
O1	C14	N3	H9	0.0°	179.9°
O1	C14	N3	H10	180.0°	0.1°
C12	N4	C15	H11	180.0°	180.0°
C12	N4	C15	O2	2.3°	0.0°
C12	N4	C15	N5	178.9°	180.0°
N4	C12	C11	H8	1.6°	0.1°
N4	C15	O2	N5	178.8°	180.0°
N4	C15	N5	H12	178.9°	0.0°
N4	C15	N5	H13	1.2°	179.9°
O2	C15	N4	H11	177.7°	180.0°
O2	C15	N5	H12	0.0°	179.9°
O2	C15	N5	H13	180.0°	0.1°
N5	C15	N4	H11	1.1°	0.0°
C15	N5	H12	H13	179.9°	179.9°
H1	C1	C2	H2	0.5°	0.0°
H1	C1	C6	H4	0.0°	0.2°
H2	C2	C3	H3	0.0°	0.0°
H5	C7	C8	H6	0.8°	0.1°
H6	C8	C9	H7	0.1°	0.1°

Release date:	2014-04-02
Definition date:	2013-08-09
Last modified:	2014-03-28
Release status:	REL
Processing site:	RCSB
Derived from:	4M0Y