M14

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	doub	1.39Å	1.40Å	Aromatic
C	C5	sing	1.39Å	1.37Å	Aromatic
C	N	sing	1.40Å	1.41Å
C1	C2	sing	1.38Å	1.39Å	Aromatic
C2	C3	doub	1.38Å	1.40Å	Aromatic
C3	C4	sing	1.38Å	1.39Å	Aromatic
C3	S	sing	1.76Å	1.78Å
C4	C5	doub	1.38Å	1.38Å	Aromatic
C5	CL2	sing	1.74Å	1.73Å
C6	C7	doub	1.39Å	1.37Å	Aromatic
C6	C11	sing	1.39Å	1.40Å	Aromatic
C6	O	sing	1.36Å	1.36Å
C7	C8	sing	1.38Å	1.37Å	Aromatic
C8	C9	doub	1.38Å	1.42Å	Aromatic
C8	CL1	sing	1.74Å	1.74Å
C9	C10	sing	1.39Å	1.41Å	Aromatic
C10	C11	doub	1.39Å	1.40Å	Aromatic
C10	O19	sing	1.36Å	1.39Å
C12	C13	doub	1.38Å	1.38Å	Aromatic
C12	C17	sing	1.38Å	1.38Å	Aromatic
C12	CL	sing	1.74Å	1.73Å
C13	C14	sing	1.39Å	1.38Å	Aromatic
C14	C15	doub	1.38Å	1.38Å	Aromatic
C14	O	sing	1.36Å	1.37Å
C15	C16	sing	1.40Å	1.39Å	Aromatic
C16	C17	doub	1.40Å	1.39Å	Aromatic
C16	C27	sing	1.43Å	1.37Å
O19	C20	sing	1.43Å	1.42Å
C20	C21	sing	1.51Å	1.52Å
C21	N	sing	1.35Å	1.37Å
C21	O22	doub	1.21Å	1.21Å
S	N23	sing	1.66Å	1.71Å
S	O24	doub	1.42Å	1.47Å
S	O25	doub	1.42Å	1.46Å
C27	N28	trip	1.14Å	1.12Å
C1	H1	sing	1.08Å	1.08Å
C2	H2	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C15	H15	sing	1.08Å	1.08Å
C17	H17	sing	1.08Å	1.08Å
C20	H20	sing	1.09Å	1.10Å
C20	H20A	sing	1.09Å	1.10Å
N	HN	sing	0.97Å	1.00Å
N23	HN23	sing	0.97Å	1.00Å
N23	HN2A	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C	C5	119.1°	119.8°
C1	C	N	129.0°	120.1°
C	C1	C2	120.8°	120.0°
C	C1	H1	119.6°	120.0°
C5	C	N	111.9°	120.1°
C	C5	C4	121.6°	119.9°
C	C5	CL2	117.6°	120.1°
C	N	C21	128.7°	120.1°
C	N	HN	115.6°	120.0°
C1	C2	C3	118.3°	120.1°
C2	C1	H1	119.6°	120.0°
C1	C2	H2	120.9°	120.0°
C2	C3	C4	121.2°	120.1°
C2	C3	S	122.0°	119.9°
C3	C2	H2	120.9°	120.0°
C4	C3	S	116.7°	119.9°
C3	C4	C5	119.0°	120.0°
C3	C4	H4	120.5°	120.0°
C3	S	N23	104.3°	107.2°
C3	S	O24	99.0°	106.4°
C3	S	O25	107.1°	106.4°
C4	C5	CL2	120.8°	120.0°
C5	C4	H4	120.5°	120.0°
C7	C6	C11	122.7°	120.0°
C7	C6	O	114.8°	120.0°
C6	C7	C8	116.8°	120.0°
C6	C7	H7	121.6°	120.0°
C11	C6	O	122.4°	120.0°
C6	C11	C10	121.3°	119.9°
C6	C11	H11	119.3°	120.1°
C6	O	C14	121.6°	118.0°
C7	C8	C9	122.6°	120.1°
C7	C8	CL1	113.9°	120.0°
C8	C7	H7	121.6°	120.0°
C9	C8	CL1	123.4°	120.0°
C8	C9	C10	119.8°	120.1°
C8	C9	H9	120.1°	120.0°
C9	C10	C11	116.7°	119.9°
C9	C10	O19	131.8°	120.0°
C10	C9	H9	120.1°	120.0°
C11	C10	O19	111.5°	120.0°
C10	C11	H11	119.4°	120.0°
C10	O19	C20	122.4°	117.0°
C13	C12	C17	121.3°	120.1°
C13	C12	CL	120.2°	119.9°
C12	C13	C14	120.1°	120.3°
C12	C13	H13	120.0°	119.8°
C17	C12	CL	118.5°	119.9°
C12	C17	C16	116.9°	120.0°
C12	C17	H17	121.5°	120.0°
C13	C14	C15	120.6°	120.0°
C13	C14	O	116.5°	119.9°
C14	C13	H13	119.9°	119.9°
C15	C14	O	122.9°	120.0°
C14	C15	C16	117.7°	119.8°
C14	C15	H15	121.2°	120.1°
C15	C16	C17	123.4°	119.7°
C15	C16	C27	119.0°	120.1°
C16	C15	H15	121.2°	120.1°
C17	C16	C27	117.6°	120.1°
C16	C17	H17	121.5°	120.0°
C16	C27	N28	167.5°	180.0°
O19	C20	C21	107.6°	109.5°
O19	C20	H20	110.1°	109.5°
O19	C20	H20A	110.5°	109.4°
C20	C21	N	110.4°	120.1°
C20	C21	O22	124.2°	120.0°
C21	C20	H20	110.1°	109.5°
C21	C20	H20A	110.5°	109.5°
N	C21	O22	125.4°	120.0°
C21	N	HN	115.7°	120.0°
N23	S	O24	111.1°	106.4°
N23	S	O25	111.4°	106.4°
S	N23	HN23	109.5°	120.0°
S	N23	HN2A	109.5°	120.0°
O24	S	O25	121.6°	123.2°
H20	C20	H20A	108.1°	109.4°
HN23	N23	HN2A	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C	C5	N	179.9°	179.7°
C	C1	C2	H1	180.0°	179.9°
C	C1	C2	C3	0.1°	0.1°
C1	C	C5	C4	1.2°	0.0°
C1	C	C5	CL2	179.2°	180.0°
C1	C	N	C21	1.2°	25.6°
C	C1	C2	H2	179.9°	180.0°
C1	C	N	HN	178.8°	154.5°
C5	C	C1	C2	0.4°	0.0°
C	C5	C4	C3	1.7°	0.1°
C	C5	C4	CL2	179.5°	180.0°
C5	C	N	C21	178.7°	154.7°
C5	C	C1	H1	179.6°	179.9°
C	C5	C4	H4	178.3°	180.0°
C5	C	N	HN	1.3°	25.3°
N	C	C1	C2	179.5°	179.8°
N	C	C5	C4	178.7°	179.8°
N	C	C5	CL2	0.9°	0.3°
C	N	C21	C20	178.6°	176.0°
C	N	C21	HN	180.0°	179.9°
C	N	C21	O22	1.7°	4.0°
N	C	C1	H1	0.5°	0.3°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	C4	0.7°	0.1°
C1	C2	C3	S	178.1°	180.0°
C2	C3	C4	S	177.6°	179.9°
C2	C3	C4	C5	1.4°	0.1°
C2	C3	S	N23	42.5°	90.1°
C2	C3	S	O24	72.1°	156.4°
C2	C3	S	O25	160.7°	23.5°
C3	C2	C1	H1	179.9°	180.0°
C2	C3	C4	H4	178.6°	180.0°
C3	C4	C5	H4	180.0°	179.9°
C3	C4	C5	CL2	178.8°	179.9°
C4	C3	S	N23	139.9°	90.1°
C4	C3	S	O24	105.4°	23.5°
C4	C3	S	O25	21.8°	156.4°
C4	C3	C2	H2	179.3°	180.0°
S	C3	C4	C5	179.0°	180.0°
C3	S	N23	O24	105.8°	113.5°
C3	S	N23	O25	115.2°	113.5°
C3	S	O24	O25	116.6°	122.9°
S	C3	C2	H2	1.9°	0.1°
S	C3	C4	H4	1.0°	0.1°
C3	S	N23	HN23	88.4°	0.0°
C3	S	N23	HN2A	31.7°	180.0°
CL2	C5	C4	H4	1.2°	0.0°
C7	C6	C11	O	178.3°	179.6°
C6	C7	C8	H7	180.0°	179.9°
C6	C7	C8	C9	0.2°	0.0°
C6	C7	C8	CL1	178.0°	179.9°
C7	C6	C11	C10	1.3°	0.1°
C7	C6	O	C14	113.2°	174.7°
C7	C6	C11	H11	178.6°	180.0°
C11	C6	C7	C8	0.8°	0.1°
C6	C11	C10	C9	0.9°	0.1°
C6	C11	C10	H11	180.0°	179.9°
C6	C11	C10	O19	179.7°	179.9°
C11	C6	O	C14	68.4°	4.9°
C11	C6	C7	H7	179.2°	180.0°
O	C6	C7	C8	179.2°	179.7°
O	C6	C11	C10	179.6°	179.7°
C6	O	C14	C13	147.3°	104.8°
C6	O	C14	C15	34.1°	75.2°
O	C6	C7	H7	0.8°	0.4°
O	C6	C11	H11	0.3°	0.3°
C7	C8	C9	CL1	177.6°	180.0°
C7	C8	C9	C10	0.6°	0.0°
C7	C8	C9	H9	179.4°	179.9°
C8	C9	C10	H9	180.0°	179.9°
C8	C9	C10	C11	0.1°	0.0°
C8	C9	C10	O19	179.2°	180.0°
C9	C8	C7	H7	179.8°	179.9°
CL1	C8	C9	C10	178.2°	179.9°
CL1	C8	C7	H7	2.0°	0.0°
CL1	C8	C9	H9	1.8°	0.0°
C9	C10	C11	O19	179.4°	180.0°
C9	C10	O19	C20	20.2°	0.0°
C9	C10	C11	H11	179.1°	180.0°
C11	C10	O19	C20	159.1°	180.0°
C11	C10	C9	H9	179.9°	180.0°
C10	O19	C20	C21	71.2°	180.0°
O19	C10	C9	H9	0.8°	0.1°
O19	C10	C11	H11	0.3°	0.0°
C10	O19	C20	H20	168.8°	59.9°
C10	O19	C20	H20A	49.5°	59.9°
C13	C12	C17	CL	179.6°	179.6°
C12	C13	C14	H13	180.0°	180.0°
C12	C13	C14	C15	0.2°	0.0°
C12	C13	C14	O	178.4°	180.0°
C13	C12	C17	C16	0.8°	0.1°
C13	C12	C17	H17	179.2°	180.0°
C17	C12	C13	C14	0.1°	0.1°
C12	C17	C16	C15	1.6°	0.1°
C12	C17	C16	H17	180.0°	179.9°
C12	C17	C16	C27	179.3°	179.9°
C17	C12	C13	H13	179.9°	180.0°
CL	C12	C13	C14	179.4°	179.7°
CL	C12	C17	C16	179.7°	179.7°
CL	C12	C13	H13	0.6°	0.3°
CL	C12	C17	H17	0.3°	0.4°
C13	C14	C15	O	178.5°	180.0°
C13	C14	C15	C16	0.6°	0.1°
C13	C14	C15	H15	179.4°	180.0°
C14	C15	C16	H15	180.0°	179.9°
C14	C15	C16	C17	1.6°	0.1°
C14	C15	C16	C27	179.3°	180.0°
C15	C14	C13	H13	179.8°	180.0°
O	C14	C15	C16	179.1°	179.9°
O	C14	C13	H13	1.6°	0.0°
O	C14	C15	H15	0.9°	0.0°
C15	C16	C17	C27	177.7°	179.9°
C15	C16	C27	N28	148.8°	94.9°
C15	C16	C17	H17	178.3°	180.0°
C17	C16	C27	N28	29.0°	85.2°
C17	C16	C15	H15	178.4°	180.0°
C27	C16	C15	H15	0.8°	0.1°
C27	C16	C17	H17	0.6°	0.1°
O19	C20	C21	H20	120.0°	120.0°
O19	C20	C21	H20A	120.7°	120.0°
O19	C20	C21	N	34.7°	180.0°
O19	C20	C21	O22	142.2°	0.0°
O19	C20	H20	H20A	120.7°	119.9°
C20	C21	N	O22	176.9°	180.0°
C21	C20	H20	H20A	120.8°	120.0°
C20	C21	N	HN	1.5°	3.9°
N	C21	C20	H20	85.3°	59.9°
N	C21	C20	H20A	155.4°	60.0°
O22	C21	C20	H20	97.8°	120.1°
O22	C21	C20	H20A	21.5°	120.0°
O22	C21	N	HN	178.3°	176.1°
N23	S	O24	O25	134.2°	123.0°
S	N23	HN23	HN2A	120.0°	179.9°
O24	S	N23	HN23	165.9°	113.6°
O24	S	N23	HN2A	74.1°	66.5°
O25	S	N23	HN23	26.9°	113.5°
O25	S	N23	HN2A	146.9°	66.4°
H1	C1	C2	H2	0.1°	0.1°

Definition date:	2008-02-07
Last modified:	2020-06-17
Release status:	REL
Processing site:	RCSB
Derived from:	3C6T