O3M

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O	C	sing	1.36Å	1.40Å
C	C15	doub	1.39Å	1.38Å	Aromatic
C	C1	sing	1.39Å	1.43Å	Aromatic
C15	C14	sing	1.38Å	1.42Å	Aromatic
C1	C2	doub	1.38Å	1.43Å	Aromatic
C14	C3	doub	1.38Å	1.36Å	Aromatic
C2	C3	sing	1.38Å	1.37Å	Aromatic
C6	C5	sing	1.53Å	1.58Å
C6	C7	sing	1.51Å	1.49Å
C3	C4	sing	1.51Å	1.45Å
C5	N	sing	1.47Å	1.46Å
C8	C7	doub	1.39Å	1.40Å	Aromatic
C8	C9	sing	1.38Å	1.37Å	Aromatic
C7	C12	sing	1.38Å	1.38Å	Aromatic
N	C4	sing	1.47Å	1.48Å
N	C13	sing	1.47Å	1.49Å
C9	C10	doub	1.38Å	1.36Å	Aromatic
C12	C13	sing	1.51Å	1.49Å
C12	C11	doub	1.39Å	1.40Å	Aromatic
C10	C11	sing	1.38Å	1.41Å	Aromatic
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C8	H7	sing	1.08Å	1.08Å
C10	H8	sing	1.08Å	1.08Å
C13	H9	sing	1.09Å	1.10Å
C13	H10	sing	1.09Å	1.10Å
C15	H11	sing	1.08Å	1.08Å
O	H13	sing	0.97Å	0.95Å
C1	H14	sing	1.08Å	1.08Å
C11	H15	sing	1.08Å	1.08Å
C14	H16	sing	1.08Å	1.08Å
C2	H17	sing	1.08Å	1.08Å
C9	H18	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O	C	C15	121.6°	120.1°
O	C	C1	118.5°	120.0°
C	O	H13	109.5°	114.0°
C15	C	C1	119.7°	119.9°
C	C15	C14	119.8°	119.9°
C	C15	H11	120.1°	120.0°
C	C1	C2	118.4°	119.9°
C	C1	H14	120.8°	120.0°
C15	C14	C3	120.8°	120.1°
C14	C15	H11	120.1°	120.1°
C15	C14	H16	119.6°	120.0°
C1	C2	C3	120.1°	120.1°
C2	C1	H14	120.8°	120.0°
C1	C2	H17	119.9°	120.0°
C14	C3	C2	121.2°	120.1°
C14	C3	C4	118.7°	119.9°
C3	C14	H16	119.6°	120.0°
C2	C3	C4	120.1°	119.9°
C3	C2	H17	120.0°	119.9°
C5	C6	C7	106.3°	109.9°
C6	C5	N	107.4°	108.5°
C6	C5	H3	110.0°	109.6°
C6	C5	H4	110.0°	109.8°
C5	C6	H5	110.3°	109.4°
C5	C6	H6	110.2°	109.4°
C6	C7	C8	119.6°	118.5°
C6	C7	C12	120.4°	121.7°
C7	C6	H5	110.2°	109.4°
C7	C6	H6	110.2°	109.4°
C3	C4	N	107.9°	109.5°
C3	C4	H1	109.9°	109.5°
C3	C4	H2	109.9°	109.5°
C5	N	C4	106.7°	111.0°
C5	N	C13	106.1°	110.3°
N	C5	H3	110.0°	109.6°
N	C5	H4	110.0°	109.6°
C7	C8	C9	122.5°	120.4°
C8	C7	C12	120.0°	119.8°
C7	C8	H7	118.7°	119.8°
C8	C9	C10	118.2°	119.8°
C9	C8	H7	118.8°	119.9°
C8	C9	H18	120.9°	120.1°
C7	C12	C13	124.2°	121.8°
C7	C12	C11	117.7°	119.7°
C4	N	C13	111.5°	111.0°
N	C4	H1	109.9°	109.4°
N	C4	H2	109.9°	109.5°
N	C13	C12	110.9°	110.5°
N	C13	H9	109.1°	109.3°
N	C13	H10	109.1°	109.3°
C9	C10	C11	120.9°	119.9°
C9	C10	H8	119.5°	120.0°
C10	C9	H18	120.9°	120.1°
C13	C12	C11	118.0°	118.5°
C12	C13	H9	109.1°	109.3°
C12	C13	H10	109.1°	109.2°
C12	C11	C10	120.6°	120.4°
C12	C11	H15	119.7°	119.8°
C11	C10	H8	119.6°	120.1°
C10	C11	H15	119.7°	119.8°
H1	C4	H2	109.4°	109.5°
H3	C5	H4	109.5°	109.7°
H5	C6	H6	109.5°	109.3°
H9	C13	H10	109.5°	109.3°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O	C	C15	C1	174.8°	180.0°
O	C	C15	C14	173.6°	180.0°
O	C	C1	C2	173.3°	180.0°
O	C	C15	H11	6.4°	0.3°
O	C	C1	H14	6.7°	0.1°
C	C15	C14	H11	180.0°	179.7°
C15	C	C1	C2	1.7°	0.0°
C	C15	C14	C3	0.4°	0.3°
C15	C	O	H13	180.0°	90.0°
C15	C	C1	H14	178.3°	179.9°
C	C15	C14	H16	179.6°	179.7°
C1	C	C15	C14	1.3°	0.0°
C	C1	C2	H14	180.0°	179.9°
C	C1	C2	C3	1.2°	0.3°
C1	C	C15	H11	178.7°	179.7°
C1	C	O	H13	5.1°	90.0°
C	C1	C2	H17	178.8°	180.0°
C15	C14	C3	H16	180.0°	180.0°
C15	C14	C3	C2	0.0°	0.5°
C15	C14	C3	C4	177.6°	180.0°
C1	C2	C3	C14	0.4°	0.5°
C1	C2	C3	H17	180.0°	179.7°
C1	C2	C3	C4	177.1°	180.0°
C14	C3	C2	C4	177.5°	179.5°
C14	C3	C4	N	78.9°	90.0°
C14	C3	C4	H1	40.9°	30.0°
C14	C3	C4	H2	161.4°	150.0°
C3	C14	C15	H11	179.6°	180.0°
C14	C3	C2	H17	179.6°	179.7°
C2	C3	C4	N	103.6°	90.5°
C2	C3	C4	H1	136.7°	149.5°
C2	C3	C4	H2	16.2°	29.5°
C3	C2	C1	H14	178.8°	179.7°
C2	C3	C14	H16	180.0°	179.5°
C5	C6	C7	H5	119.5°	120.1°
C5	C6	C7	H6	119.5°	120.1°
C6	C5	N	H3	119.7°	119.7°
C6	C5	N	H4	119.7°	119.9°
C5	C6	C7	C8	159.4°	163.1°
C5	C6	C7	C12	18.0°	17.0°
C6	C5	N	C4	164.2°	165.2°
C6	C5	N	C13	76.8°	71.3°
C6	C5	H3	H4	120.9°	120.6°
C5	C6	H5	H6	121.5°	119.8°
C7	C6	C5	N	59.6°	50.4°
C6	C7	C8	C12	177.5°	180.0°
C6	C7	C8	C9	176.2°	179.8°
C6	C7	C12	C13	6.8°	0.5°
C6	C7	C12	C11	175.4°	179.8°
C7	C6	C5	H3	60.1°	69.2°
C7	C6	C5	H4	179.2°	170.2°
C7	C6	H5	H6	121.4°	119.8°
C6	C7	C8	H7	3.8°	0.1°
C3	C4	N	C5	84.6°	170.0°
C3	C4	N	H1	119.8°	120.0°
C3	C4	N	H2	119.8°	120.0°
C3	C4	N	C13	160.0°	67.0°
C3	C4	H1	H2	120.8°	120.0°
C4	C3	C14	H16	2.4°	0.0°
C4	C3	C2	H17	2.8°	0.3°
C5	N	C4	C13	115.4°	123.0°
C5	N	C13	C12	48.7°	52.5°
C5	N	C4	H1	35.2°	70.0°
C5	N	C4	H2	155.6°	50.0°
N	C5	H3	H4	121.0°	120.4°
N	C5	C6	H5	59.9°	69.7°
N	C5	C6	H6	179.0°	170.6°
C5	N	C13	H9	71.5°	67.8°
C5	N	C13	H10	168.9°	172.7°
C7	C8	C9	H7	180.0°	179.9°
C7	C8	C9	C10	1.5°	0.1°
C8	C7	C12	C13	175.7°	179.6°
C8	C7	C12	C11	2.1°	0.2°
C8	C7	C6	H5	81.1°	76.8°
C8	C7	C6	H6	40.0°	42.9°
C7	C8	C9	H18	178.5°	180.0°
C9	C8	C7	C12	1.3°	0.1°
C8	C9	C10	H18	180.0°	180.0°
C8	C9	C10	C11	3.4°	0.0°
C8	C9	C10	H8	176.6°	180.0°
C7	C12	C13	N	8.1°	17.5°
C7	C12	C13	C11	177.7°	179.8°
C7	C12	C11	C10	0.1°	0.2°
C12	C7	C6	H5	101.5°	103.2°
C12	C7	C6	H6	137.5°	137.1°
C12	C7	C8	H7	178.7°	180.0°
C7	C12	C13	H9	112.1°	102.8°
C7	C12	C13	H10	128.3°	137.7°
C7	C12	C11	H15	179.8°	179.8°
C4	N	C13	C12	164.4°	176.0°
N	C4	H1	H2	120.7°	120.0°
C4	N	C5	H3	76.1°	75.1°
C4	N	C5	H4	44.5°	45.4°
C4	N	C13	H9	44.2°	55.6°
C4	N	C13	H10	75.3°	63.9°
N	C13	C12	H9	120.2°	120.4°
N	C13	C12	H10	120.2°	120.2°
N	C13	C12	C11	169.7°	162.7°
C13	N	C4	H1	80.2°	53.0°
C13	N	C4	H2	40.2°	173.0°
C13	N	C5	H3	42.8°	48.4°
C13	N	C5	H4	163.5°	168.8°
N	C13	H9	H10	119.4°	119.5°
C9	C10	C11	C12	2.7°	0.1°
C9	C10	C11	H8	180.0°	180.0°
C10	C9	C8	H7	178.5°	180.0°
C9	C10	C11	H15	177.4°	179.9°
C13	C12	C11	C10	177.7°	179.6°
C12	C13	H9	H10	119.3°	119.4°
C13	C12	C11	H15	2.3°	0.4°
C12	C11	C10	H15	180.0°	180.0°
C12	C11	C10	H8	177.3°	180.0°
C11	C12	C13	H9	70.2°	77.0°
C11	C12	C13	H10	49.4°	42.5°
C11	C10	C9	H18	176.5°	180.0°
H3	C5	C6	H5	179.6°	170.6°
H3	C5	C6	H6	59.4°	50.9°
H4	C5	C6	H5	59.8°	50.1°
H4	C5	C6	H6	61.3°	69.7°
H7	C8	C9	H18	1.5°	0.1°
H8	C10	C11	H15	2.7°	0.1°
H8	C10	C9	H18	3.5°	0.0°
H11	C15	C14	H16	0.4°	0.0°
H14	C1	C2	H17	1.2°	0.1°

Release date:	2019-08-21
Definition date:	2019-06-06
Last modified:	2019-08-16
Release status:	REL
Processing site:	RCSB
Derived from:	5QSX