17G

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C34	N9	doub	1.31Å	1.34Å	Aromatic
C34	C26	sing	1.41Å	1.39Å	Aromatic
N9	C29	sing	1.34Å	1.36Å	Aromatic
C31	C26	sing	1.42Å	1.39Å
C31	C32	doub	1.36Å	1.38Å
C26	C23	doub	1.40Å	1.41Å	Aromatic
C32	C27	sing	1.41Å	1.39Å
C29	C35	doub	1.40Å	1.39Å	Aromatic
C29	C25	sing	1.42Å	1.41Å	Aromatic
C35	C36	sing	1.36Å	1.39Å	Aromatic
C23	C25	sing	1.41Å	1.43Å	Aromatic
C23	N8	sing	1.37Å	1.44Å
C25	C30	doub	1.40Å	1.41Å	Aromatic
C27	N8	sing	1.35Å	1.41Å
C27	O5	doub	1.22Å	1.25Å
N8	C19	sing	1.40Å	1.41Å
C36	C33	doub	1.40Å	1.39Å	Aromatic
C30	C33	sing	1.39Å	1.40Å	Aromatic
C33	C37	sing	1.48Å	1.39Å
C19	C21	doub	1.39Å	1.38Å	Aromatic
C19	C20	sing	1.39Å	1.40Å	Aromatic
C21	C18	sing	1.38Å	1.39Å	Aromatic
C20	C16	doub	1.38Å	1.40Å	Aromatic
C37	C39	doub	1.39Å	1.38Å	Aromatic
C37	C38	sing	1.40Å	1.39Å	Aromatic
C39	N10	sing	1.32Å	1.34Å	Aromatic
C18	C15	doub	1.38Å	1.39Å	Aromatic
C38	C40	doub	1.38Å	1.39Å	Aromatic
C16	C15	sing	1.38Å	1.39Å	Aromatic
C16	C24	sing	1.51Å	1.52Å
N10	C41	doub	1.32Å	1.34Å	Aromatic
F1	C24	sing	1.40Å	1.33Å
C24	F3	sing	1.40Å	1.33Å
C24	F2	sing	1.40Å	1.33Å
C40	C41	sing	1.39Å	1.39Å	Aromatic
C41	N43	sing	1.39Å	1.35Å
C21	H1	sing	1.08Å	1.08Å
C18	H2	sing	1.08Å	1.08Å
C15	H3	sing	1.08Å	1.08Å
C20	H4	sing	1.08Å	1.08Å
C32	H5	sing	1.08Å	1.08Å
C31	H6	sing	1.08Å	1.08Å
C34	H7	sing	1.08Å	1.08Å
C30	H8	sing	1.08Å	1.08Å
C36	H9	sing	1.08Å	1.08Å
C35	H10	sing	1.08Å	1.08Å
C39	H11	sing	1.08Å	1.08Å
C38	H12	sing	1.08Å	1.08Å
C40	H13	sing	1.08Å	1.08Å
N43	H14	sing	0.97Å	1.00Å
N43	H15	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N9	C34	C26	120.8°	121.2°
C34	N9	C29	121.0°	122.3°
N9	C34	H7	119.6°	119.4°
C34	C26	C31	117.2°	121.4°
C34	C26	C23	120.8°	119.4°
C26	C34	H7	119.6°	119.4°
N9	C29	C35	118.0°	120.4°
N9	C29	C25	121.5°	120.3°
C26	C31	C32	120.3°	119.0°
C31	C26	C23	122.0°	119.3°
C26	C31	H6	119.8°	120.5°
C31	C32	C27	119.7°	120.2°
C31	C32	H5	120.2°	119.9°
C32	C31	H6	119.9°	120.5°
C26	C23	C25	117.2°	118.0°
C26	C23	N8	117.2°	120.2°
C32	C27	N8	121.5°	120.9°
C32	C27	O5	119.2°	119.5°
C27	C32	H5	120.2°	119.9°
C35	C29	C25	120.5°	119.3°
C29	C35	C36	121.0°	120.2°
C29	C35	H10	119.5°	119.9°
C29	C25	C23	118.8°	118.8°
C29	C25	C30	117.2°	119.9°
C35	C36	C33	120.3°	120.8°
C35	C36	H9	119.9°	119.6°
C36	C35	H10	119.5°	119.9°
C25	C23	N8	125.6°	121.8°
C23	C25	C30	124.0°	121.4°
C23	N8	C27	119.4°	120.4°
C23	N8	C19	124.7°	119.8°
C25	C30	C33	122.4°	119.5°
C25	C30	H8	118.8°	120.2°
N8	C27	O5	119.3°	119.6°
C27	N8	C19	115.9°	119.8°
N8	C19	C21	123.3°	120.1°
N8	C19	C20	116.8°	120.1°
C36	C33	C30	118.6°	120.3°
C36	C33	C37	118.3°	119.8°
C33	C36	H9	119.8°	119.6°
C30	C33	C37	123.0°	119.8°
C33	C30	H8	118.8°	120.3°
C33	C37	C39	118.9°	120.4°
C33	C37	C38	123.1°	120.5°
C21	C19	C20	119.9°	119.8°
C19	C21	C18	119.6°	119.9°
C19	C21	H1	120.2°	120.0°
C19	C20	C16	120.9°	119.9°
C19	C20	H4	119.5°	120.0°
C21	C18	C15	120.5°	120.1°
C18	C21	H1	120.2°	120.1°
C21	C18	H2	119.7°	120.0°
C20	C16	C15	118.9°	120.1°
C20	C16	C24	121.4°	119.9°
C16	C20	H4	119.6°	120.1°
C39	C37	C38	117.9°	119.1°
C37	C39	N10	121.5°	120.6°
C37	C39	H11	119.2°	119.7°
C37	C38	C40	119.9°	118.4°
C37	C38	H12	120.0°	120.8°
C39	N10	C41	121.7°	121.8°
N10	C39	H11	119.2°	119.7°
C18	C15	C16	120.3°	120.2°
C15	C18	H2	119.8°	119.9°
C18	C15	H3	119.9°	119.9°
C38	C40	C41	119.3°	119.2°
C40	C38	H12	120.1°	120.8°
C38	C40	H13	120.4°	120.4°
C15	C16	C24	119.7°	120.0°
C16	C15	H3	119.9°	119.9°
C16	C24	F1	108.5°	109.5°
C16	C24	F3	109.4°	109.5°
C16	C24	F2	112.2°	109.5°
N10	C41	C40	119.6°	120.8°
N10	C41	N43	118.8°	119.6°
F1	C24	F3	110.2°	109.5°
F1	C24	F2	110.8°	109.5°
F3	C24	F2	105.7°	109.5°
C40	C41	N43	121.5°	119.6°
C41	C40	H13	120.3°	120.4°
C41	N43	H14	109.5°	120.0°
C41	N43	H15	109.5°	120.0°
H14	N43	H15	109.4°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N9	C34	C26	H7	180.0°	179.9°
N9	C34	C26	C31	179.9°	180.0°
N9	C34	C26	C23	0.1°	0.3°
C34	N9	C29	C35	179.7°	180.0°
C34	N9	C29	C25	0.1°	0.3°
C26	C34	N9	C29	0.0°	0.0°
C34	C26	C31	C23	179.9°	179.7°
C34	C26	C31	C32	179.9°	180.0°
C34	C26	C23	C25	0.1°	0.3°
C34	C26	C23	N8	179.6°	179.7°
C34	C26	C31	H6	0.1°	0.3°
N9	C29	C35	C25	179.9°	179.7°
N9	C29	C35	C36	179.9°	179.7°
N9	C29	C25	C23	0.1°	0.2°
N9	C29	C25	C30	179.8°	179.7°
C29	N9	C34	H7	180.0°	179.9°
N9	C29	C35	H10	0.1°	0.3°
C26	C31	C32	H6	180.0°	179.8°
C26	C31	C32	C27	0.0°	0.0°
C31	C26	C23	C25	179.9°	180.0°
C31	C26	C23	N8	0.3°	0.5°
C26	C31	C32	H5	180.0°	180.0°
C31	C26	C34	H7	0.1°	0.1°
C32	C31	C26	C23	0.2°	0.2°
C31	C32	C27	H5	180.0°	179.9°
C31	C32	C27	N8	0.6°	0.0°
C31	C32	C27	O5	179.7°	179.7°
C26	C23	C25	C29	0.0°	0.0°
C26	C23	C25	N8	179.5°	179.5°
C26	C23	C25	C30	179.9°	180.0°
C26	C23	N8	C27	1.0°	0.5°
C26	C23	N8	C19	177.6°	179.4°
C23	C26	C31	H6	179.8°	180.0°
C23	C26	C34	H7	179.9°	179.8°
C32	C27	N8	C23	1.1°	0.2°
C32	C27	N8	O5	179.7°	179.7°
C32	C27	N8	C19	178.1°	179.7°
C27	C32	C31	H6	179.9°	179.7°
C29	C35	C36	H10	180.0°	180.0°
C35	C29	C25	C23	179.7°	179.9°
C35	C29	C25	C30	0.3°	0.0°
C29	C35	C36	C33	0.4°	0.0°
C29	C35	C36	H9	179.6°	179.9°
C25	C29	C35	C36	0.0°	0.0°
C29	C25	C23	C30	179.9°	180.0°
C29	C25	C23	N8	179.5°	179.5°
C29	C25	C30	C33	0.2°	0.1°
C29	C25	C30	H8	179.8°	179.9°
C25	C29	C35	H10	180.0°	180.0°
C35	C36	C33	H9	180.0°	179.9°
C35	C36	C33	C30	0.5°	0.1°
C35	C36	C33	C37	180.0°	180.0°
C25	C23	N8	C27	179.5°	180.0°
C25	C23	N8	C19	2.9°	0.0°
C23	C25	C30	C33	179.9°	179.9°
C23	C25	C30	H8	0.1°	0.0°
N8	C23	C25	C30	0.6°	0.5°
C23	N8	C27	C19	176.9°	180.0°
C23	N8	C27	O5	179.2°	180.0°
C23	N8	C19	C21	98.3°	87.0°
C23	N8	C19	C20	83.7°	92.7°
C25	C30	C33	C36	0.2°	0.1°
C25	C30	C33	H8	180.0°	179.9°
C25	C30	C33	C37	179.7°	180.0°
C27	N8	C19	C21	85.0°	92.9°
C27	N8	C19	C20	93.0°	87.3°
N8	C27	C32	H5	179.4°	180.0°
O5	C27	N8	C19	2.2°	0.0°
O5	C27	C32	H5	0.3°	0.2°
N8	C19	C21	C20	177.9°	179.7°
N8	C19	C21	C18	179.5°	180.0°
N8	C19	C20	C16	179.7°	179.7°
N8	C19	C21	H1	0.5°	0.0°
N8	C19	C20	H4	0.3°	0.0°
C36	C33	C30	C37	179.4°	179.9°
C36	C33	C37	C39	0.1°	143.1°
C36	C33	C37	C38	180.0°	37.2°
C36	C33	C30	H8	179.8°	180.0°
C33	C36	C35	H10	179.6°	180.0°
C30	C33	C37	C39	179.4°	37.0°
C30	C33	C37	C38	0.5°	142.8°
C30	C33	C36	H9	179.5°	180.0°
C33	C37	C39	C38	179.9°	179.7°
C33	C37	C39	N10	179.8°	180.0°
C33	C37	C38	C40	179.8°	180.0°
C37	C33	C30	H8	0.4°	0.1°
C37	C33	C36	H9	0.1°	0.1°
C33	C37	C39	H11	0.2°	0.0°
C33	C37	C38	H12	0.2°	0.0°
C19	C21	C18	H1	180.0°	180.0°
C21	C19	C20	C16	1.7°	0.5°
C19	C21	C18	C15	0.6°	0.0°
C19	C21	C18	H2	179.4°	180.0°
C21	C19	C20	H4	178.3°	179.7°
C20	C19	C21	C18	1.5°	0.3°
C19	C20	C16	H4	180.0°	179.7°
C19	C20	C16	C15	0.8°	0.6°
C19	C20	C16	C24	178.5°	180.0°
C20	C19	C21	H1	178.4°	179.7°
C21	C18	C15	H2	180.0°	180.0°
C21	C18	C15	C16	0.3°	0.0°
C21	C18	C15	H3	179.7°	180.0°
C20	C16	C15	C18	0.2°	0.3°
C20	C16	C15	C24	179.3°	179.5°
C20	C16	C24	F1	2.7°	30.0°
C20	C16	C24	F3	117.6°	90.0°
C20	C16	C24	F2	125.5°	150.0°
C20	C16	C15	H3	179.8°	179.7°
C37	C39	N10	H11	180.0°	180.0°
C39	C37	C38	C40	0.3°	0.2°
C37	C39	N10	C41	0.6°	0.1°
C39	C37	C38	H12	179.7°	179.7°
C38	C37	C39	N10	0.1°	0.2°
C37	C38	C40	H12	180.0°	179.9°
C37	C38	C40	C41	0.2°	0.1°
C38	C37	C39	H11	179.9°	179.7°
C37	C38	C40	H13	179.7°	180.0°
C39	N10	C41	C40	0.7°	0.4°
C39	N10	C41	N43	179.2°	180.0°
C18	C15	C16	H3	180.0°	180.0°
C18	C15	C16	C24	179.5°	179.7°
C15	C18	C21	H1	179.4°	180.0°
C38	C40	C41	N10	0.2°	0.4°
C38	C40	C41	H13	180.0°	179.9°
C38	C40	C41	N43	179.6°	180.0°
C15	C16	C24	F1	178.0°	149.5°
C15	C16	C24	F3	61.8°	90.5°
C15	C16	C24	F2	55.2°	29.5°
C16	C15	C18	H2	179.7°	180.0°
C15	C16	C20	H4	179.2°	179.7°
C16	C24	F1	F3	119.7°	120.0°
C16	C24	F1	F2	123.7°	120.0°
C16	C24	F3	F2	121.0°	120.0°
C24	C16	C15	H3	0.5°	0.3°
C24	C16	C20	H4	1.5°	0.3°
N10	C41	C40	N43	179.8°	179.6°
C41	N10	C39	H11	179.4°	179.9°
N10	C41	C40	H13	179.8°	179.7°
N10	C41	N43	H14	0.0°	179.6°
N10	C41	N43	H15	120.0°	0.3°
F1	C24	F3	F2	119.8°	120.0°
C41	C40	C38	H12	179.8°	180.0°
C40	C41	N43	H14	179.8°	0.0°
C40	C41	N43	H15	59.8°	179.9°
N43	C41	C40	H13	0.4°	0.1°
C41	N43	H14	H15	120.0°	179.9°
H1	C21	C18	H2	0.6°	0.0°
H2	C18	C15	H3	0.3°	0.0°
H5	C32	C31	H6	0.1°	0.2°
H9	C36	C35	H10	0.4°	0.1°
H12	C38	C40	H13	0.2°	0.1°

Release date:	2013-05-08
Definition date:	2013-03-25
Last modified:	2013-05-03
Release status:	REL
Processing site:	RCSB
Derived from:	4JSX