83L

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C31	C32	doub	0.00Å	1.39Å	Aromatic
C31	C30	sing	0.00Å	1.38Å	Aromatic
C32	C21	sing	0.00Å	1.39Å	Aromatic
C6	C7	doub	0.00Å	1.37Å
C6	C5	sing	0.00Å	1.37Å
C7	C8	sing	0.00Å	1.41Å
N6	C5	doub	0.00Å	1.35Å
N6	C4	sing	0.00Å	1.36Å
C5	N2	sing	0.00Å	1.33Å
C30	C29	doub	0.00Å	1.38Å	Aromatic
C27	C26	doub	0.00Å	1.40Å	Aromatic
C27	C22	sing	0.00Å	1.39Å	Aromatic
C26	C25	sing	0.00Å	1.39Å	Aromatic
C8	N2	sing	0.00Å	1.35Å
C8	C18	doub	0.00Å	1.46Å
C3	C4	sing	0.00Å	1.38Å
C3	C2	doub	0.00Å	1.36Å
C4	N1	doub	0.00Å	1.33Å
N2	FE	sing	0.00Å	2.04Å
C21	C18	sing	0.00Å	1.49Å
C21	C28	doub	0.00Å	1.39Å	Aromatic
C18	C12	sing	0.00Å	1.46Å
C2	C1	sing	0.00Å	1.39Å
N1	C1	sing	0.00Å	1.36Å
N1	FE	sing	0.00Å	1.96Å
C1	C20	doub	0.00Å	1.45Å
FE	N3	sing	0.00Å	1.96Å
FE	N4	sing	0.00Å	2.02Å
C12	N3	doub	0.00Å	1.36Å
C12	C11	sing	0.00Å	1.39Å
N3	C9	sing	0.00Å	1.33Å
C11	C10	doub	0.00Å	1.36Å
C20	C22	sing	0.00Å	1.50Å
C20	C13	sing	0.00Å	1.45Å
N4	C13	sing	0.00Å	1.35Å	Aromatic
N4	C16	sing	0.00Å	1.32Å	Aromatic
C9	C10	sing	0.00Å	1.38Å
C9	N5	doub	0.00Å	1.37Å
C22	C23	doub	0.00Å	1.38Å	Aromatic
C13	C14	doub	0.00Å	1.39Å	Aromatic
C29	C28	sing	0.00Å	1.39Å	Aromatic
C16	N5	sing	0.00Å	1.37Å
C16	C15	doub	0.00Å	1.39Å	Aromatic
C25	C24	doub	0.00Å	1.38Å	Aromatic
C14	C15	sing	0.00Å	1.37Å	Aromatic
C23	C24	sing	0.00Å	1.40Å	Aromatic
C7	H1	sing	0.00Å	1.08Å
C3	H2	sing	0.00Å	1.08Å
C6	H3	sing	0.00Å	1.08Å
C2	H4	sing	0.00Å	1.08Å
C32	H5	sing	0.00Å	1.08Å
C31	H6	sing	0.00Å	1.08Å
C30	H7	sing	0.00Å	1.08Å
C29	H8	sing	0.00Å	1.08Å
C28	H9	sing	0.00Å	1.08Å
C11	H10	sing	0.00Å	1.08Å
C10	H11	sing	0.00Å	1.08Å
C15	H12	sing	0.00Å	1.08Å
C14	H13	sing	0.00Å	1.08Å
C27	H14	sing	0.00Å	1.08Å
C26	H15	sing	0.00Å	1.08Å
C25	H16	sing	0.00Å	1.08Å
C24	H17	sing	0.00Å	1.08Å
C23	H18	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C32	C31	C30	120.0°	90.0°
C31	C32	C21	120.2°	90.0°
C31	C32	H5	119.9°	90.0°
C32	C31	H6	120.0°	90.0°
C31	C30	C29	120.0°	90.0°
C30	C31	H6	120.0°	90.0°
C31	C30	H7	120.0°	90.0°
C32	C21	C18	120.0°	90.0°
C32	C21	C28	119.8°	90.0°
C21	C32	H5	119.9°	90.0°
C7	C6	C5	103.7°	90.0°
C6	C7	C8	108.6°	90.0°
C6	C7	H1	125.7°	90.0°
C7	C6	H3	128.2°	90.0°
C6	C5	N6	118.7°	90.0°
C6	C5	N2	113.3°	90.0°
C5	C6	H3	128.1°	90.0°
C7	C8	N2	107.9°	90.0°
C7	C8	C18	127.7°	90.0°
C8	C7	H1	125.7°	90.0°
C5	N6	C4	123.3°	90.0°
N6	C5	N2	127.9°	90.0°
N6	C4	C3	117.4°	90.0°
N6	C4	N1	127.5°	90.0°
C5	N2	C8	106.5°	90.0°
C5	N2	FE	124.7°	90.0°
C30	C29	C28	120.3°	90.0°
C29	C30	H7	120.0°	90.0°
C30	C29	H8	119.8°	90.0°
C26	C27	C22	120.9°	90.0°
C27	C26	C25	118.6°	90.0°
C26	C27	H14	119.6°	90.0°
C27	C26	H15	120.7°	90.0°
C27	C22	C20	118.4°	90.0°
C27	C22	C23	120.1°	90.0°
C22	C27	H14	119.6°	90.0°
C26	C25	C24	120.5°	90.0°
C25	C26	H15	120.7°	90.0°
C26	C25	H16	119.7°	90.0°
N2	C8	C18	124.4°	90.0°
C8	N2	FE	128.7°	90.0°
C8	C18	C21	116.3°	90.0°
C8	C18	C12	122.2°	90.0°
C4	C3	C2	103.3°	90.0°
C3	C4	N1	115.0°	90.0°
C4	C3	H2	128.3°	90.0°
C3	C2	C1	108.3°	90.0°
C2	C3	H2	128.4°	90.0°
C3	C2	H4	125.8°	90.0°
C4	N1	C1	103.1°	90.0°
C4	N1	FE	127.0°	90.0°
N2	FE	N1	89.5°	90.0°
N2	FE	N3	89.5°	90.0°
N2	FE	N4	177.4°	90.0°
C18	C21	C28	120.2°	90.0°
C21	C18	C12	121.5°	90.0°
C21	C28	C29	119.6°	90.0°
C21	C28	H9	120.2°	90.0°
C18	C12	N3	124.5°	90.0°
C18	C12	C11	126.1°	90.0°
C2	C1	N1	110.2°	90.0°
C2	C1	C20	125.0°	90.0°
C1	C2	H4	125.9°	90.0°
C1	N1	FE	129.9°	90.0°
N1	C1	C20	124.8°	90.0°
N1	FE	N3	178.0°	90.0°
N1	FE	N4	89.9°	90.0°
C1	C20	C22	118.8°	90.0°
C1	C20	C13	121.9°	90.0°
N3	FE	N4	91.1°	90.0°
FE	N3	C12	130.4°	90.0°
FE	N3	C9	125.6°	90.0°
FE	N4	C13	128.5°	90.0°
FE	N4	C16	125.6°	90.0°
N3	C12	C11	109.3°	90.0°
C12	N3	C9	103.9°	90.0°
C12	C11	C10	109.0°	90.0°
C12	C11	H10	125.5°	90.0°
N3	C9	C10	115.2°	90.0°
N3	C9	N5	127.2°	90.0°
C11	C10	C9	102.6°	90.0°
C10	C11	H10	125.5°	90.0°
C11	C10	H11	128.7°	90.0°
C22	C20	C13	119.3°	90.0°
C20	C22	C23	121.5°	90.0°
C20	C13	N4	124.9°	90.0°
C20	C13	C14	126.2°	90.0°
C13	N4	C16	105.8°	90.0°
N4	C13	C14	108.9°	90.0°
N4	C16	N5	125.3°	90.0°
N4	C16	C15	113.4°	90.0°
C10	C9	N5	117.6°	90.0°
C9	C10	H11	128.7°	90.0°
C9	N5	C16	125.0°	90.0°
C22	C23	C24	119.5°	90.0°
C22	C23	H18	120.3°	90.0°
C13	C14	C15	108.7°	90.0°
C13	C14	H13	125.7°	90.0°
C28	C29	H8	119.9°	90.0°
C29	C28	H9	120.2°	90.0°
N5	C16	C15	121.2°	90.0°
C16	C15	C14	103.2°	90.0°
C16	C15	H12	128.4°	90.0°
C25	C24	C23	120.5°	90.0°
C24	C25	H16	119.8°	90.0°
C25	C24	H17	119.8°	90.0°
C14	C15	H12	128.4°	90.0°
C15	C14	H13	125.7°	90.0°
C23	C24	H17	119.7°	90.0°
C24	C23	H18	120.2°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C32	C31	C30	H6	180.0°	90.0°
C31	C32	C21	H5	180.0°	90.0°
C32	C31	C30	C29	0.1°	90.0°
C31	C32	C21	C18	179.7°	90.0°
C31	C32	C21	C28	1.6°	90.0°
C32	C31	C30	H7	179.9°	90.0°
C30	C31	C32	C21	0.4°	90.0°
C31	C30	C29	H7	180.0°	90.0°
C31	C30	C29	C28	0.8°	90.0°
C30	C31	C32	H5	179.6°	90.0°
C31	C30	C29	H8	179.3°	90.0°
C32	C21	C18	C8	59.9°	90.0°
C32	C21	C18	C28	178.7°	90.0°
C32	C21	C18	C12	118.7°	90.0°
C32	C21	C28	C29	2.4°	90.0°
C21	C32	C31	H6	179.6°	90.0°
C32	C21	C28	H9	177.6°	90.0°
C7	C6	C5	H3	180.0°	90.0°
C6	C7	C8	H1	180.0°	90.0°
C7	C6	C5	N6	179.5°	90.0°
C7	C6	C5	N2	0.3°	90.0°
C6	C7	C8	N2	0.2°	90.0°
C6	C7	C8	C18	179.4°	90.0°
C5	C6	C7	C8	0.3°	90.0°
C6	C5	N6	N2	179.0°	90.0°
C6	C5	N6	C4	179.8°	90.0°
C6	C5	N2	C8	0.2°	90.0°
C6	C5	N2	FE	179.2°	90.0°
C5	C6	C7	H1	179.7°	90.0°
C7	C8	N2	C5	0.0°	90.0°
C7	C8	N2	C18	179.6°	90.0°
C7	C8	N2	FE	179.0°	90.0°
C7	C8	C18	C21	0.1°	90.0°
C7	C8	C18	C12	178.5°	90.0°
C8	C7	C6	H3	179.7°	90.0°
N6	C5	N2	C8	179.2°	90.0°
C5	N6	C4	C3	177.8°	90.0°
C5	N6	C4	N1	0.2°	90.0°
N6	C5	N2	FE	1.7°	90.0°
N6	C5	C6	H3	0.5°	90.0°
C4	N6	C5	N2	1.2°	90.0°
N6	C4	C3	N1	177.9°	90.0°
N6	C4	C3	C2	179.6°	90.0°
N6	C4	N1	C1	179.9°	90.0°
N6	C4	N1	FE	0.1°	90.0°
N6	C4	C3	H2	0.4°	90.0°
C5	N2	C8	FE	179.0°	90.0°
C5	N2	C8	C18	179.6°	90.0°
C5	N2	FE	N1	1.1°	90.0°
C5	N2	FE	N3	177.3°	90.0°
C5	N2	FE	N4	75.6°	90.0°
N2	C5	C6	H3	179.7°	90.0°
C30	C29	C28	C21	2.0°	90.0°
C30	C29	C28	H8	180.0°	90.0°
C29	C30	C31	H6	179.9°	90.0°
C30	C29	C28	H9	178.0°	90.0°
C26	C27	C22	H14	180.0°	90.0°
C27	C26	C25	H15	180.0°	90.0°
C26	C27	C22	C20	180.0°	90.0°
C26	C27	C22	C23	0.7°	90.0°
C27	C26	C25	C24	0.6°	90.0°
C27	C26	C25	H16	179.4°	90.0°
C22	C27	C26	C25	0.3°	90.0°
C27	C22	C20	C1	64.4°	90.0°
C27	C22	C20	C23	179.2°	90.0°
C27	C22	C20	C13	114.4°	90.0°
C27	C22	C23	C24	0.2°	90.0°
C22	C27	C26	H15	179.6°	90.0°
C27	C22	C23	H18	179.8°	90.0°
C26	C25	C24	H16	180.0°	90.0°
C26	C25	C24	C23	1.1°	90.0°
C25	C26	C27	H14	179.6°	90.0°
C26	C25	C24	H17	178.9°	90.0°
N2	C8	C18	C21	179.4°	90.0°
N2	C8	C18	C12	2.0°	90.0°
C8	N2	FE	N1	179.9°	90.0°
C8	N2	FE	N3	1.6°	90.0°
C8	N2	FE	N4	103.3°	90.0°
N2	C8	C7	H1	179.8°	90.0°
C18	C8	N2	FE	1.4°	90.0°
C8	C18	C21	C12	178.6°	90.0°
C8	C18	C21	C28	118.8°	90.0°
C8	C18	C12	N3	1.9°	90.0°
C8	C18	C12	C11	177.9°	90.0°
C18	C8	C7	H1	0.6°	90.0°
C4	C3	C2	H2	180.0°	90.0°
C4	C3	C2	C1	0.3°	90.0°
C3	C4	N1	C1	2.2°	90.0°
C3	C4	N1	FE	177.6°	90.0°
C4	C3	C2	H4	179.7°	90.0°
C2	C3	C4	N1	1.6°	90.0°
C3	C2	C1	H4	180.0°	90.0°
C3	C2	C1	N1	1.1°	90.0°
C3	C2	C1	C20	178.6°	90.0°
C4	N1	FE	N2	0.3°	90.0°
C4	N1	C1	C2	1.9°	90.0°
C4	N1	C1	FE	179.8°	90.0°
C4	N1	C1	C20	177.8°	90.0°
C4	N1	FE	N3	57.7°	90.0°
C4	N1	FE	N4	177.2°	90.0°
N1	C4	C3	H2	178.3°	90.0°
N2	FE	N1	C1	179.5°	90.0°
N2	FE	N1	N3	58.0°	90.0°
N2	FE	N1	N4	177.5°	90.0°
N2	FE	N3	N4	177.5°	90.0°
N2	FE	N3	C12	5.5°	90.0°
N2	FE	N3	C9	179.2°	90.0°
N2	FE	N4	C13	78.1°	90.0°
N2	FE	N4	C16	99.0°	90.0°
C21	C18	C12	N3	176.6°	90.0°
C21	C18	C12	C11	0.6°	90.0°
C18	C21	C28	C29	178.9°	90.0°
C18	C21	C32	H5	0.3°	90.0°
C18	C21	C28	H9	1.1°	90.0°
C28	C21	C18	C12	62.6°	90.0°
C21	C28	C29	H9	180.0°	90.0°
C28	C21	C32	H5	178.4°	90.0°
C21	C28	C29	H8	178.0°	90.0°
C18	C12	N3	FE	6.4°	90.0°
C18	C12	N3	C11	176.6°	90.0°
C18	C12	N3	C9	177.5°	90.0°
C18	C12	C11	C10	177.7°	90.0°
C18	C12	C11	H10	2.3°	90.0°
C2	C1	N1	C20	179.7°	90.0°
C2	C1	N1	FE	177.9°	90.0°
C2	C1	C20	C22	0.0°	90.0°
C2	C1	C20	C13	178.8°	90.0°
C1	C2	C3	H2	179.7°	90.0°
C1	N1	FE	N3	122.5°	90.0°
C1	N1	FE	N4	3.0°	90.0°
N1	C1	C20	C22	179.6°	90.0°
N1	C1	C20	C13	0.8°	90.0°
N1	C1	C2	H4	178.9°	90.0°
FE	N1	C1	C20	2.4°	90.0°
N1	FE	N3	N4	119.5°	90.0°
N1	FE	N3	C12	63.4°	90.0°
N1	FE	N3	C9	121.2°	90.0°
N1	FE	N4	C13	1.4°	90.0°
N1	FE	N4	C16	175.6°	90.0°
C1	C20	C22	C13	178.9°	90.0°
C1	C20	C13	N4	2.4°	90.0°
C1	C20	C22	C23	116.3°	90.0°
C1	C20	C13	C14	176.3°	90.0°
C20	C1	C2	H4	1.4°	90.0°
FE	N3	C12	C9	176.1°	90.0°
FE	N3	C12	C11	177.0°	90.0°
N3	FE	N4	C13	179.7°	90.0°
N3	FE	N4	C16	2.7°	90.0°
FE	N3	C9	C10	176.6°	90.0°
FE	N3	C9	N5	4.4°	90.0°
N4	FE	N3	C12	177.1°	90.0°
N4	FE	N3	C9	1.7°	90.0°
FE	N4	C13	C20	0.8°	90.0°
FE	N4	C13	C16	177.5°	90.0°
FE	N4	C13	C14	178.1°	90.0°
FE	N4	C16	N5	5.0°	90.0°
FE	N4	C16	C15	179.1°	90.0°
N3	C12	C11	C10	1.2°	90.0°
C12	N3	C9	C10	0.3°	90.0°
C12	N3	C9	N5	179.2°	90.0°
N3	C12	C11	H10	178.8°	90.0°
C11	C12	N3	C9	0.9°	90.0°
C12	C11	C10	H10	180.0°	90.0°
C12	C11	C10	C9	1.0°	90.0°
C12	C11	C10	H11	179.0°	90.0°
N3	C9	C10	C11	0.4°	90.0°
N3	C9	C10	N5	179.0°	90.0°
N3	C9	N5	C16	2.6°	90.0°
N3	C9	C10	H11	179.6°	90.0°
C11	C10	C9	H11	180.0°	90.0°
C11	C10	C9	N5	178.6°	90.0°
C22	C20	C13	N4	178.8°	90.0°
C22	C20	C13	C14	2.5°	90.0°
C20	C22	C23	C24	179.5°	90.0°
C20	C22	C27	H14	0.0°	90.0°
C20	C22	C23	H18	0.6°	90.0°
C20	C13	N4	C14	178.9°	90.0°
C20	C13	N4	C16	178.3°	90.0°
C13	C20	C22	C23	64.8°	90.0°
C20	C13	C14	C15	179.4°	90.0°
C20	C13	C14	H13	0.7°	90.0°
C13	N4	C16	N5	177.4°	90.0°
C13	N4	C16	C15	1.5°	90.0°
N4	C13	C14	C15	0.5°	90.0°
N4	C13	C14	H13	179.6°	90.0°
N4	C16	N5	C9	2.6°	90.0°
C16	N4	C13	C14	0.6°	90.0°
N4	C16	N5	C15	175.6°	90.0°
N4	C16	C15	C14	1.8°	90.0°
N4	C16	C15	H12	178.2°	90.0°
C10	C9	N5	C16	178.5°	90.0°
C9	C10	C11	H10	179.0°	90.0°
C9	N5	C16	C15	178.2°	90.0°
N5	C9	C10	H11	1.4°	90.0°
C22	C23	C24	C25	0.7°	90.0°
C22	C23	C24	H18	180.0°	90.0°
C23	C22	C27	H14	179.2°	90.0°
C22	C23	C24	H17	179.4°	90.0°
C13	C14	C15	C16	1.3°	90.0°
C13	C14	C15	H13	180.0°	90.0°
C13	C14	C15	H12	178.7°	90.0°
C28	C29	C30	H7	179.2°	90.0°
N5	C16	C15	C14	177.8°	90.0°
N5	C16	C15	H12	2.2°	90.0°
C16	C15	C14	H12	180.0°	90.0°
C16	C15	C14	H13	178.8°	90.0°
C25	C24	C23	H17	180.0°	90.0°
C24	C25	C26	H15	179.5°	90.0°
C25	C24	C23	H18	179.3°	90.0°
C23	C24	C25	H16	178.9°	90.0°
H1	C7	C6	H3	0.3°	90.0°
H2	C3	C2	H4	0.3°	90.0°
H5	C32	C31	H6	0.3°	90.0°
H6	C31	C30	H7	0.1°	90.0°
H7	C30	C29	H8	0.8°	90.0°
H8	C29	C28	H9	2.0°	90.0°
H10	C11	C10	H11	1.0°	90.0°
H12	C15	C14	H13	1.3°	90.0°
H14	C27	C26	H15	0.4°	90.0°
H15	C26	C25	H16	0.5°	90.0°
H16	C25	C24	H17	1.1°	90.0°
H17	C24	C23	H18	0.7°	90.0°

Release date:	2017-12-06
Definition date:	2017-03-31
Last modified:	2017-12-01
Release status:	REL
Processing site:	RCSB
Derived from:	5XA4