WYP

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C33	C34	doub	0.00Å	1.39Å	Aromatic
C33	C32	sing	0.00Å	1.38Å	Aromatic
C34	C29	sing	0.00Å	1.39Å	Aromatic
C22	C21	trip	0.00Å	1.29Å
C11	C10	doub	0.00Å	1.36Å
C11	C12	sing	0.00Å	1.38Å
C21	C14	sing	0.00Å	1.26Å
C10	C13	sing	0.00Å	1.39Å
C32	C31	doub	0.00Å	1.39Å	Aromatic
C12	C14	sing	0.00Å	1.49Å
C12	N3	doub	0.00Å	1.35Å
C14	C8	doub	0.00Å	1.47Å
C13	N3	sing	0.00Å	1.35Å
C13	C20	doub	0.00Å	1.48Å
C29	C20	sing	0.00Å	1.50Å
C29	C30	doub	0.00Å	1.39Å	Aromatic
N3	FE	sing	0.00Å	2.10Å
C24	C25	doub	0.00Å	1.40Å	Aromatic
C24	C23	sing	0.00Å	1.39Å	Aromatic
C20	C17	sing	0.00Å	1.48Å
C8	C5	sing	0.00Å	1.37Å
C8	N2	sing	0.00Å	1.32Å
C25	C26	sing	0.00Å	1.39Å	Aromatic
C5	C6	doub	0.00Å	1.35Å
N2	FE	sing	0.00Å	2.20Å
N2	C7	sing	0.00Å	1.32Å
C17	C16	doub	0.00Å	1.40Å	Aromatic
C17	N4	sing	0.00Å	1.34Å	Aromatic
FE	N4	sing	0.00Å	2.14Å
FE	N1	sing	0.00Å	2.04Å
C16	C15	sing	0.00Å	1.37Å	Aromatic
C6	C7	sing	0.00Å	1.38Å
N4	C18	sing	0.00Å	1.33Å	Aromatic
C7	C9	doub	0.00Å	1.47Å
C15	C18	doub	0.00Å	1.36Å	Aromatic
C18	C19	sing	0.00Å	1.48Å
N1	C4	doub	0.00Å	1.36Å
N1	C3	sing	0.00Å	1.34Å
C31	C30	sing	0.00Å	1.40Å	Aromatic
C9	C4	sing	0.00Å	1.48Å
C9	C23	sing	0.00Å	1.50Å
C19	C3	doub	0.00Å	1.48Å
C4	C1	sing	0.00Å	1.39Å
C3	C2	sing	0.00Å	1.37Å
C23	C28	doub	0.00Å	1.40Å	Aromatic
C1	C2	doub	0.00Å	1.37Å
C26	C27	doub	0.00Å	1.40Å	Aromatic
C28	C27	sing	0.00Å	1.39Å	Aromatic
C22	H1	sing	0.00Å	1.06Å
C5	H2	sing	0.00Å	1.08Å
C6	H3	sing	0.00Å	1.08Å
C28	H4	sing	0.00Å	1.08Å
C27	H5	sing	0.00Å	1.08Å
C26	H6	sing	0.00Å	1.08Å
C25	H7	sing	0.00Å	1.08Å
C24	H8	sing	0.00Å	1.08Å
C1	H9	sing	0.00Å	1.08Å
C11	H10	sing	0.00Å	1.08Å
C10	H11	sing	0.00Å	1.08Å
C34	H12	sing	0.00Å	1.08Å
C33	H13	sing	0.00Å	1.08Å
C32	H14	sing	0.00Å	1.08Å
C31	H15	sing	0.00Å	1.08Å
C30	H16	sing	0.00Å	1.08Å
C16	H17	sing	0.00Å	1.08Å
C15	H18	sing	0.00Å	1.08Å
C19	H19	sing	0.00Å	1.08Å
C2	H20	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C34	C33	C32	120.0°	90.0°
C33	C34	C29	120.7°	90.0°
C33	C34	H12	119.7°	90.0°
C34	C33	H13	120.0°	90.0°
C33	C32	C31	119.8°	90.0°
C32	C33	H13	120.0°	90.0°
C33	C32	H14	120.1°	90.0°
C34	C29	C20	119.3°	90.0°
C34	C29	C30	119.7°	90.0°
C29	C34	H12	119.6°	90.0°
C22	C21	C14	176.4°	90.0°
C21	C22	H1	180.0°	90.0°
C10	C11	C12	107.9°	90.0°
C11	C10	C13	107.2°	90.0°
C10	C11	H10	126.1°	90.0°
C11	C10	H11	126.4°	90.0°
C11	C12	C14	124.1°	90.0°
C11	C12	N3	108.0°	90.0°
C12	C11	H10	126.1°	90.0°
C21	C14	C12	121.8°	90.0°
C21	C14	C8	115.3°	90.0°
C10	C13	N3	107.9°	90.0°
C10	C13	C20	123.7°	90.0°
C13	C10	H11	126.4°	90.0°
C32	C31	C30	120.5°	90.0°
C31	C32	H14	120.1°	90.0°
C32	C31	H15	119.7°	90.0°
C14	C12	N3	127.9°	90.0°
C12	C14	C8	122.9°	90.0°
C12	N3	C13	109.0°	90.0°
C12	N3	FE	126.6°	90.0°
C14	C8	C5	124.1°	90.0°
C14	C8	N2	127.2°	90.0°
N3	C13	C20	128.3°	90.0°
C13	N3	FE	124.3°	90.0°
C13	C20	C29	120.6°	90.0°
C13	C20	C17	123.7°	90.0°
C20	C29	C30	120.9°	90.0°
C29	C20	C17	115.7°	90.0°
C29	C30	C31	119.3°	90.0°
C29	C30	H16	120.3°	90.0°
N3	FE	N2	89.0°	90.0°
N3	FE	N4	91.8°	90.0°
N3	FE	N1	178.5°	90.0°
C25	C24	C23	120.0°	90.0°
C24	C25	C26	119.6°	90.0°
C24	C25	H7	120.2°	90.0°
C25	C24	H8	120.0°	90.0°
C24	C23	C9	119.8°	90.0°
C24	C23	C28	120.5°	90.0°
C23	C24	H8	120.0°	90.0°
C20	C17	C16	125.5°	90.0°
C20	C17	N4	126.5°	90.0°
C5	C8	N2	108.7°	90.0°
C8	C5	C6	107.0°	90.0°
C8	C5	H2	126.5°	90.0°
C8	N2	FE	126.2°	90.0°
C8	N2	C7	109.2°	90.0°
C25	C26	C27	120.3°	90.0°
C25	C26	H6	119.9°	90.0°
C26	C25	H7	120.2°	90.0°
C5	C6	C7	107.1°	90.0°
C6	C5	H2	126.5°	90.0°
C5	C6	H3	126.4°	90.0°
FE	N2	C7	124.3°	90.0°
N2	FE	N4	178.6°	90.0°
N2	FE	N1	91.1°	90.0°
N2	C7	C6	108.0°	90.0°
N2	C7	C9	126.7°	90.0°
C16	C17	N4	107.9°	90.0°
C17	C16	C15	108.6°	90.0°
C17	C16	H17	125.7°	90.0°
C17	N4	FE	125.3°	90.0°
C17	N4	C18	106.3°	90.0°
N4	FE	N1	88.1°	90.0°
FE	N4	C18	128.5°	90.0°
FE	N1	C4	126.4°	90.0°
FE	N1	C3	129.6°	90.0°
C16	C15	C18	103.5°	90.0°
C15	C16	H17	125.7°	90.0°
C16	C15	H18	128.3°	90.0°
C6	C7	C9	125.3°	90.0°
C7	C6	H3	126.4°	90.0°
N4	C18	C15	113.7°	90.0°
N4	C18	C19	125.1°	90.0°
C7	C9	C4	123.6°	90.0°
C7	C9	C23	115.2°	90.0°
C15	C18	C19	121.3°	90.0°
C18	C15	H18	128.3°	90.0°
C18	C19	C3	122.2°	90.0°
C18	C19	H19	118.9°	90.0°
C4	N1	C3	104.0°	90.0°
N1	C4	C9	127.5°	90.0°
N1	C4	C1	109.6°	90.0°
N1	C3	C19	126.5°	90.0°
N1	C3	C2	114.4°	90.0°
C30	C31	H15	119.7°	90.0°
C31	C30	H16	120.4°	90.0°
C4	C9	C23	121.2°	90.0°
C9	C4	C1	122.9°	90.0°
C9	C23	C28	119.7°	90.0°
C19	C3	C2	119.0°	90.0°
C3	C19	H19	118.9°	90.0°
C4	C1	C2	108.2°	90.0°
C4	C1	H9	125.9°	90.0°
C3	C2	C1	103.8°	90.0°
C3	C2	H20	128.1°	90.0°
C23	C28	C27	119.3°	90.0°
C23	C28	H4	120.4°	90.0°
C2	C1	H9	125.9°	90.0°
C1	C2	H20	128.1°	90.0°
C26	C27	C28	120.4°	90.0°
C26	C27	H5	119.8°	90.0°
C27	C26	H6	119.9°	90.0°
C27	C28	H4	120.4°	90.0°
C28	C27	H5	119.8°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C34	C33	C32	H13	180.0°	90.0°
C33	C34	C29	H12	180.0°	90.0°
C34	C33	C32	C31	1.9°	90.0°
C33	C34	C29	C20	179.2°	90.0°
C33	C34	C29	C30	2.1°	90.0°
C34	C33	C32	H14	178.1°	90.0°
C32	C33	C34	C29	2.3°	90.0°
C33	C32	C31	H14	180.0°	90.0°
C33	C32	C31	C30	1.2°	90.0°
C32	C33	C34	H12	177.7°	90.0°
C33	C32	C31	H15	178.8°	90.0°
C34	C29	C20	C13	63.9°	90.0°
C34	C29	C20	C30	177.1°	90.0°
C34	C29	C20	C17	115.4°	90.0°
C34	C29	C30	C31	1.4°	90.0°
C29	C34	C33	H13	177.7°	90.0°
C34	C29	C30	H16	178.6°	90.0°
C22	C21	C14	C12	119.7°	90.0°
C22	C21	C14	C8	63.0°	90.0°
C10	C11	C12	H10	180.0°	90.0°
C11	C10	C13	H11	180.0°	90.0°
C10	C11	C12	C14	180.0°	90.0°
C10	C11	C12	N3	0.2°	90.0°
C11	C10	C13	N3	1.6°	90.0°
C11	C10	C13	C20	178.8°	90.0°
C11	C12	C14	C21	1.9°	90.0°
C12	C11	C10	C13	1.1°	90.0°
C11	C12	C14	N3	179.7°	90.0°
C11	C12	C14	C8	179.0°	90.0°
C11	C12	N3	C13	0.8°	90.0°
C11	C12	N3	FE	178.2°	90.0°
C12	C11	C10	H11	178.9°	90.0°
C21	C14	C12	C8	177.0°	90.0°
C21	C14	C12	N3	177.8°	90.0°
C21	C14	C8	C5	2.1°	90.0°
C21	C14	C8	N2	178.5°	90.0°
C14	C21	C22	H1	157.1°	90.0°
C10	C13	N3	C12	1.5°	90.0°
C10	C13	N3	C20	177.0°	90.0°
C10	C13	C20	C29	4.3°	90.0°
C10	C13	N3	FE	177.5°	90.0°
C10	C13	C20	C17	174.9°	90.0°
C13	C10	C11	H10	178.9°	90.0°
C32	C31	C30	C29	1.0°	90.0°
C32	C31	C30	H15	180.0°	90.0°
C31	C32	C33	H13	178.1°	90.0°
C32	C31	C30	H16	179.0°	90.0°
C14	C12	N3	C13	178.9°	90.0°
C14	C12	N3	FE	2.1°	90.0°
C12	C14	C8	C5	175.2°	90.0°
C12	C14	C8	N2	4.3°	90.0°
C14	C12	C11	H10	0.0°	90.0°
N3	C12	C14	C8	0.7°	90.0°
C12	N3	C13	FE	179.0°	90.0°
C12	N3	C13	C20	178.5°	90.0°
C12	N3	FE	N2	1.6°	90.0°
C12	N3	FE	N4	177.3°	90.0°
C12	N3	FE	N1	93.6°	90.0°
N3	C12	C11	H10	179.8°	90.0°
C14	C8	C5	N2	179.5°	90.0°
C14	C8	C5	C6	179.4°	90.0°
C14	C8	N2	FE	4.4°	90.0°
C14	C8	N2	C7	179.4°	90.0°
C14	C8	C5	H2	0.6°	90.0°
N3	C13	C20	C29	179.1°	90.0°
N3	C13	C20	C17	1.7°	90.0°
C13	N3	FE	N2	179.5°	90.0°
C13	N3	FE	N4	1.6°	90.0°
C13	N3	FE	N1	85.3°	90.0°
N3	C13	C10	H11	178.4°	90.0°
C13	C20	C29	C17	179.2°	90.0°
C13	C20	C29	C30	119.0°	90.0°
C20	C13	N3	FE	0.5°	90.0°
C13	C20	C17	C16	179.0°	90.0°
C13	C20	C17	N4	2.3°	90.0°
C20	C13	C10	H11	1.2°	90.0°
C29	C20	C17	C16	0.3°	90.0°
C29	C20	C17	N4	178.5°	90.0°
C20	C29	C30	C31	178.5°	90.0°
C20	C29	C34	H12	0.8°	90.0°
C20	C29	C30	H16	1.4°	90.0°
C30	C29	C20	C17	61.8°	90.0°
C29	C30	C31	H16	180.0°	90.0°
C30	C29	C34	H12	177.9°	90.0°
C29	C30	C31	H15	179.0°	90.0°
N3	FE	N2	C8	1.4°	90.0°
N3	FE	N2	N4	125.7°	90.0°
N3	FE	N2	N1	178.5°	90.0°
N3	FE	N2	C7	175.8°	90.0°
N3	FE	N4	C17	1.1°	90.0°
N3	FE	N4	N1	178.5°	90.0°
N3	FE	N4	C18	177.5°	90.0°
N3	FE	N1	C4	98.1°	90.0°
N3	FE	N1	C3	81.6°	90.0°
C25	C24	C23	H8	180.0°	90.0°
C24	C25	C26	H7	180.0°	90.0°
C25	C24	C23	C9	178.5°	90.0°
C25	C24	C23	C28	0.9°	90.0°
C24	C25	C26	C27	0.0°	90.0°
C24	C25	C26	H6	180.0°	90.0°
C23	C24	C25	C26	0.2°	90.0°
C24	C23	C9	C7	63.1°	90.0°
C24	C23	C9	C4	115.9°	90.0°
C24	C23	C9	C28	177.6°	90.0°
C24	C23	C28	C27	1.4°	90.0°
C24	C23	C28	H4	178.6°	90.0°
C23	C24	C25	H7	179.8°	90.0°
C20	C17	C16	N4	179.0°	90.0°
C20	C17	N4	FE	0.5°	90.0°
C20	C17	C16	C15	179.6°	90.0°
C20	C17	N4	C18	179.4°	90.0°
C20	C17	C16	H17	0.4°	90.0°
C8	C5	C6	H2	180.0°	90.0°
C5	C8	N2	FE	175.1°	90.0°
C5	C8	N2	C7	0.1°	90.0°
C8	C5	C6	C7	0.2°	90.0°
C8	C5	C6	H3	179.8°	90.0°
N2	C8	C5	C6	0.2°	90.0°
C8	N2	FE	C7	174.4°	90.0°
C8	N2	FE	N4	127.1°	90.0°
C8	N2	FE	N1	179.9°	90.0°
C8	N2	C7	C6	0.0°	90.0°
C8	N2	C7	C9	178.3°	90.0°
N2	C8	C5	H2	179.9°	90.0°
C25	C26	C27	H6	180.0°	90.0°
C25	C26	C27	C28	0.5°	90.0°
C25	C26	C27	H5	179.6°	90.0°
C26	C25	C24	H8	179.8°	90.0°
C5	C6	C7	N2	0.1°	90.0°
C5	C6	C7	H3	180.0°	90.0°
C5	C6	C7	C9	178.2°	90.0°
N2	FE	N4	C17	126.8°	90.0°
N2	FE	N4	N1	52.8°	90.0°
FE	N2	C7	C6	175.2°	90.0°
N2	FE	N4	C18	51.8°	90.0°
FE	N2	C7	C9	6.5°	90.0°
N2	FE	N1	C4	2.9°	90.0°
N2	FE	N1	C3	176.8°	90.0°
C7	N2	FE	N4	58.5°	90.0°
C7	N2	FE	N1	5.7°	90.0°
N2	C7	C6	C9	178.3°	90.0°
N2	C7	C9	C4	2.9°	90.0°
N2	C7	C9	C23	176.0°	90.0°
N2	C7	C6	H3	179.9°	90.0°
C16	C17	N4	FE	179.5°	90.0°
C17	C16	C15	H17	180.0°	90.0°
C16	C17	N4	C18	1.7°	90.0°
C17	C16	C15	C18	0.6°	90.0°
C17	C16	C15	H18	179.5°	90.0°
C17	N4	FE	C18	178.6°	90.0°
C17	N4	FE	N1	179.6°	90.0°
N4	C17	C16	C15	1.4°	90.0°
C17	N4	C18	C15	1.4°	90.0°
C17	N4	C18	C19	179.0°	90.0°
N4	C17	C16	H17	178.6°	90.0°
FE	N4	C18	C15	179.8°	90.0°
FE	N4	C18	C19	0.2°	90.0°
N4	FE	N1	C4	178.2°	90.0°
N4	FE	N1	C3	2.1°	90.0°
N1	FE	N4	C18	1.0°	90.0°
FE	N1	C4	C3	179.8°	90.0°
FE	N1	C4	C9	0.7°	90.0°
FE	N1	C3	C19	2.5°	90.0°
FE	N1	C4	C1	179.8°	90.0°
FE	N1	C3	C2	179.3°	90.0°
C16	C15	C18	N4	0.5°	90.0°
C16	C15	C18	H18	180.0°	90.0°
C16	C15	C18	C19	179.8°	90.0°
C6	C7	C9	C4	179.1°	90.0°
C6	C7	C9	C23	2.0°	90.0°
C7	C6	C5	H2	179.9°	90.0°
N4	C18	C15	C19	179.6°	90.0°
N4	C18	C19	C3	0.2°	90.0°
N4	C18	C15	H18	179.4°	90.0°
N4	C18	C19	H19	179.8°	90.0°
C7	C9	C4	N1	0.5°	90.0°
C7	C9	C4	C23	178.9°	90.0°
C7	C9	C4	C1	178.5°	90.0°
C7	C9	C23	C28	114.5°	90.0°
C9	C7	C6	H3	1.8°	90.0°
C15	C18	C19	C3	179.4°	90.0°
C18	C15	C16	H17	179.5°	90.0°
C15	C18	C19	H19	0.6°	90.0°
C18	C19	C3	N1	1.0°	90.0°
C18	C19	C3	H19	180.0°	90.0°
C18	C19	C3	C2	177.6°	90.0°
C19	C18	C15	H18	0.2°	90.0°
N1	C4	C9	C1	179.0°	90.0°
N1	C4	C9	C23	179.4°	90.0°
C4	N1	C3	C19	177.7°	90.0°
C4	N1	C3	C2	1.0°	90.0°
N1	C4	C1	C2	0.8°	90.0°
N1	C4	C1	H9	179.2°	90.0°
C3	N1	C4	C9	179.1°	90.0°
N1	C3	C19	C2	176.6°	90.0°
C3	N1	C4	C1	0.1°	90.0°
N1	C3	C2	C1	1.4°	90.0°
N1	C3	C19	H19	179.0°	90.0°
N1	C3	C2	H20	178.5°	90.0°
C30	C31	C32	H14	178.7°	90.0°
C4	C9	C23	C28	66.5°	90.0°
C9	C4	C1	C2	180.0°	90.0°
C9	C4	C1	H9	0.0°	90.0°
C23	C9	C4	C1	0.4°	90.0°
C9	C23	C28	C27	179.0°	90.0°
C9	C23	C28	H4	1.0°	90.0°
C9	C23	C24	H8	1.4°	90.0°
C19	C3	C2	C1	178.5°	90.0°
C19	C3	C2	H20	1.5°	90.0°
C4	C1	C2	C3	1.3°	90.0°
C4	C1	C2	H9	180.0°	90.0°
C4	C1	C2	H20	178.7°	90.0°
C3	C2	C1	H20	180.0°	90.0°
C3	C2	C1	H9	178.7°	90.0°
C2	C3	C19	H19	2.3°	90.0°
C23	C28	C27	C26	1.2°	90.0°
C23	C28	C27	H4	180.0°	90.0°
C23	C28	C27	H5	178.9°	90.0°
C28	C23	C24	H8	179.1°	90.0°
C26	C27	C28	H5	180.0°	90.0°
C26	C27	C28	H4	178.9°	90.0°
C27	C26	C25	H7	180.0°	90.0°
C28	C27	C26	H6	179.5°	90.0°
H2	C5	C6	H3	0.2°	90.0°
H4	C28	C27	H5	1.1°	90.0°
H5	C27	C26	H6	0.4°	90.0°
H6	C26	C25	H7	0.0°	90.0°
H7	C25	C24	H8	0.2°	90.0°
H9	C1	C2	H20	1.3°	90.0°
H10	C11	C10	H11	1.1°	90.0°
H12	C34	C33	H13	2.3°	90.0°
H13	C33	C32	H14	1.9°	90.0°
H14	C32	C31	H15	1.3°	90.0°
H15	C31	C30	H16	1.0°	90.0°
H17	C16	C15	H18	0.5°	90.0°

Release date:	2017-12-06
Definition date:	2017-05-19
Last modified:	2017-12-01
Release status:	REL
Processing site:	PDBJ
Derived from:	5XIE