GM5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C17	C12	doub	1.38Å	1.38Å	Aromatic
C17	C16	sing	1.38Å	1.38Å	Aromatic
C12	C13	sing	1.40Å	1.39Å	Aromatic
C16	C15	doub	1.39Å	1.39Å	Aromatic
N19	O20	sing	1.42Å	1.40Å
N19	C18	sing	1.35Å	1.33Å
C13	C18	sing	1.48Å	1.50Å
C13	C14	doub	1.39Å	1.39Å	Aromatic
C18	O21	doub	1.22Å	1.23Å
C15	C14	sing	1.39Å	1.39Å	Aromatic
C15	C10	sing	1.49Å	1.48Å
C10	N9	sing	1.35Å	1.36Å	Aromatic
C10	C11	doub	1.36Å	1.37Å	Aromatic
N9	N8	doub	1.29Å	1.31Å	Aromatic
C11	N7	sing	1.35Å	1.34Å	Aromatic
N8	N7	sing	1.29Å	1.34Å	Aromatic
N7	C23	sing	1.47Å	1.45Å
C23	S22	sing	1.81Å	1.81Å
S22	C1	sing	1.76Å	1.77Å
C6	C1	doub	1.39Å	1.39Å	Aromatic
C6	C5	sing	1.38Å	1.38Å	Aromatic
C1	C2	sing	1.39Å	1.39Å	Aromatic
C5	C4	doub	1.38Å	1.38Å	Aromatic
C2	C3	doub	1.38Å	1.38Å	Aromatic
C4	C3	sing	1.38Å	1.38Å	Aromatic
C6	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C4	H3	sing	1.08Å	1.08Å
C2	H4	sing	1.08Å	1.08Å
C12	H5	sing	1.08Å	1.08Å
C14	H6	sing	1.08Å	1.08Å
C16	H7	sing	1.08Å	1.08Å
C17	H8	sing	1.08Å	1.08Å
C3	H9	sing	1.08Å	1.08Å
C11	H10	sing	1.08Å	1.08Å
N19	H11	sing	0.97Å	1.00Å
O20	H12	sing	0.97Å	0.95Å
C23	H13	sing	1.09Å	1.10Å
C23	H14	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C17	C16	120.2°	120.2°
C17	C12	C13	120.3°	120.1°
C17	C12	H5	119.8°	119.9°
C12	C17	H8	119.9°	119.9°
C17	C16	C15	120.3°	120.2°
C17	C16	H7	119.8°	119.9°
C16	C17	H8	119.9°	119.9°
C12	C13	C18	120.2°	120.1°
C12	C13	C14	119.3°	119.8°
C13	C12	H5	119.9°	119.9°
C16	C15	C14	119.3°	119.9°
C16	C15	C10	120.5°	120.0°
C15	C16	H7	119.9°	119.9°
O20	N19	C18	120.8°	120.0°
O20	N19	H11	119.6°	120.0°
N19	O20	H12	109.5°	114.1°
N19	C18	C13	115.9°	120.0°
N19	C18	O21	122.8°	120.0°
C18	N19	H11	119.6°	120.0°
C18	C13	C14	120.4°	120.1°
C13	C18	O21	121.2°	120.0°
C13	C14	C15	120.5°	119.7°
C13	C14	H6	119.7°	120.1°
C14	C15	C10	120.2°	120.0°
C15	C14	H6	119.7°	120.1°
C15	C10	N9	122.3°	126.9°
C15	C10	C11	130.0°	126.9°
N9	C10	C11	107.7°	106.2°
C10	N9	N8	109.2°	108.8°
C10	C11	N7	105.2°	106.1°
C10	C11	H10	127.4°	127.0°
N9	N8	N7	107.0°	110.5°
C11	N7	N8	110.9°	108.5°
C11	N7	C23	126.7°	125.8°
N7	C11	H10	127.4°	127.0°
N8	N7	C23	122.4°	125.7°
N7	C23	S22	112.2°	109.4°
N7	C23	H13	108.7°	109.5°
N7	C23	H14	108.8°	109.5°
C23	S22	C1	99.2°	103.0°
S22	C23	H13	108.8°	109.5°
S22	C23	H14	108.8°	109.4°
S22	C1	C6	120.3°	120.1°
S22	C1	C2	120.2°	120.1°
C1	C6	C5	120.0°	119.9°
C6	C1	C2	119.6°	119.8°
C1	C6	H1	120.0°	120.0°
C6	C5	C4	120.3°	120.1°
C5	C6	H1	120.0°	120.1°
C6	C5	H2	119.8°	119.9°
C1	C2	C3	119.9°	119.9°
C1	C2	H4	120.0°	120.0°
C5	C4	C3	119.8°	120.1°
C4	C5	H2	119.8°	120.0°
C5	C4	H3	120.1°	119.9°
C2	C3	C4	120.4°	120.1°
C3	C2	H4	120.1°	120.1°
C2	C3	H9	119.8°	120.0°
C3	C4	H3	120.1°	119.9°
C4	C3	H9	119.8°	119.9°
H13	C23	H14	109.5°	109.6°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C17	C16	H8	180.0°	179.5°
C17	C12	C13	H5	180.0°	179.7°
C12	C17	C16	C15	0.4°	0.6°
C17	C12	C13	C18	175.3°	179.8°
C17	C12	C13	C14	1.0°	0.3°
C12	C17	C16	H7	179.6°	179.7°
C16	C17	C12	C13	0.1°	0.6°
C17	C16	C15	H7	180.0°	179.8°
C17	C16	C15	C14	0.0°	0.3°
C17	C16	C15	C10	178.9°	179.7°
C16	C17	C12	H5	179.9°	179.7°
C12	C13	C18	N19	5.4°	0.1°
C12	C13	C18	C14	176.2°	179.9°
C12	C13	C18	O21	176.5°	180.0°
C12	C13	C14	C15	1.4°	0.1°
C12	C13	C14	H6	178.7°	180.0°
C13	C12	C17	H8	179.9°	179.9°
C16	C15	C14	C13	0.9°	0.1°
C16	C15	C14	C10	178.9°	180.0°
C16	C15	C10	N9	32.8°	180.0°
C16	C15	C10	C11	147.3°	0.3°
C16	C15	C14	H6	179.1°	180.0°
C15	C16	C17	H8	179.6°	180.0°
O20	N19	C18	H11	180.0°	180.0°
O20	N19	C18	C13	174.7°	180.0°
O20	N19	C18	O21	3.4°	0.0°
N19	C18	C13	O21	178.1°	180.0°
N19	C18	C13	C14	170.8°	179.9°
C18	N19	O20	H12	1.5°	180.0°
C18	C13	C14	C15	174.9°	180.0°
C18	C13	C12	H5	4.7°	0.1°
C18	C13	C14	H6	5.1°	0.1°
C13	C18	N19	H11	5.3°	0.0°
C14	C13	C18	O21	7.3°	0.1°
C13	C14	C15	H6	180.0°	180.0°
C13	C14	C15	C10	178.1°	180.0°
C14	C13	C12	H5	179.0°	180.0°
O21	C18	N19	H11	176.6°	180.0°
C14	C15	C10	N9	146.1°	0.0°
C14	C15	C10	C11	33.8°	179.7°
C14	C15	C16	H7	180.0°	179.9°
C15	C10	N9	C11	179.9°	179.7°
C15	C10	N9	N8	180.0°	179.7°
C15	C10	C11	N7	179.9°	179.7°
C10	C15	C14	H6	1.9°	0.0°
C10	C15	C16	H7	1.1°	0.0°
C15	C10	C11	H10	0.1°	0.3°
N9	C10	C11	N7	0.0°	0.0°
C10	N9	N8	N7	0.2°	0.0°
N9	C10	C11	H10	180.0°	180.0°
C11	C10	N9	N8	0.1°	0.0°
C10	C11	N7	H10	180.0°	180.0°
C10	C11	N7	N8	0.1°	0.0°
C10	C11	N7	C23	180.0°	180.0°
N9	N8	N7	C11	0.2°	0.0°
N9	N8	N7	C23	179.9°	180.0°
C11	N7	N8	C23	179.9°	180.0°
C11	N7	C23	S22	75.7°	90.0°
C11	N7	C23	H13	44.7°	30.0°
C11	N7	C23	H14	163.9°	150.1°
N8	N7	C23	S22	104.4°	90.1°
N8	N7	C11	H10	179.9°	180.0°
N8	N7	C23	H13	135.2°	150.0°
N8	N7	C23	H14	16.0°	29.9°
N7	C23	S22	H13	120.4°	120.0°
N7	C23	S22	H14	120.4°	120.0°
N7	C23	S22	C1	92.9°	180.0°
C23	N7	C11	H10	0.0°	0.0°
N7	C23	H13	H14	118.7°	120.0°
C23	S22	C1	C6	97.7°	180.0°
C23	S22	C1	C2	83.3°	0.0°
S22	C23	H13	H14	118.8°	120.0°
S22	C1	C6	C2	179.0°	179.9°
S22	C1	C6	C5	178.7°	180.0°
S22	C1	C2	C3	178.6°	180.0°
S22	C1	C6	H1	1.3°	0.4°
S22	C1	C2	H4	1.4°	0.0°
C1	S22	C23	H13	146.8°	60.0°
C1	S22	C23	H14	27.5°	60.1°
C1	C6	C5	H1	180.0°	179.6°
C1	C6	C5	C4	0.1°	0.1°
C6	C1	C2	C3	0.5°	0.0°
C1	C6	C5	H2	180.0°	180.0°
C6	C1	C2	H4	179.5°	179.9°
C5	C6	C1	C2	0.3°	0.1°
C6	C5	C4	H2	180.0°	179.9°
C6	C5	C4	C3	0.3°	0.0°
C6	C5	C4	H3	179.7°	180.0°
C1	C2	C3	H4	180.0°	180.0°
C1	C2	C3	C4	0.2°	0.0°
C2	C1	C6	H1	179.7°	179.7°
C1	C2	C3	H9	179.8°	180.0°
C5	C4	C3	C2	0.1°	0.0°
C5	C4	C3	H3	180.0°	180.0°
C4	C5	C6	H1	180.0°	179.7°
C5	C4	C3	H9	179.9°	180.0°
C2	C3	C4	H9	180.0°	180.0°
C2	C3	C4	H3	179.9°	180.0°
C3	C4	C5	H2	179.7°	180.0°
C4	C3	C2	H4	179.8°	180.0°
H1	C6	C5	H2	0.0°	0.3°
H2	C5	C4	H3	0.2°	0.0°
H3	C4	C3	H9	0.1°	0.0°
H4	C2	C3	H9	0.2°	0.0°
H5	C12	C17	H8	0.1°	0.3°
H7	C16	C17	H8	0.4°	0.2°
H11	N19	O20	H12	178.5°	0.0°

Release date:	2018-10-31
Definition date:	2018-09-28
Last modified:	2018-10-26
Release status:	REL
Processing site:	EBI
Derived from:	6HRQ