HKL

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C1	sing	0.00Å	1.35Å	Aromatic
N1	FE	sing	0.00Å	2.12Å
C1	C34	sing	0.00Å	1.33Å
C2	C1	doub	0.00Å	1.39Å	Aromatic
C7	N1	sing	0.00Å	1.34Å	Aromatic
C6	H6	sing	0.00Å	1.08Å
C6	H6A	sing	0.00Å	1.08Å
C5	C6	doub	0.00Å	1.34Å
C5	C4	sing	0.00Å	1.49Å
C5	H5	sing	0.00Å	1.08Å
C4	C2	sing	0.00Å	1.50Å	Aromatic
C4	C7	doub	0.00Å	1.39Å	Aromatic
C3	C2	sing	0.00Å	1.51Å
C3	H3	sing	0.00Å	1.10Å
C3	H3A	sing	0.00Å	1.10Å
C3	H3B	sing	0.00Å	1.10Å
N2	C15	doub	0.00Å	1.35Å
N2	FE	sing	0.00Å	2.12Å
C21	O1	doub	0.00Å	1.28Å
C20	C21	sing	0.00Å	1.37Å
C23	C20	sing	0.00Å	1.32Å
C23	C24	doub	0.00Å	1.44Å
C24	C22	sing	0.00Å	1.41Å
C22	C21	sing	0.00Å	1.42Å
C22	H22	sing	0.00Å	1.10Å
C22	H22A	sing	0.00Å	1.10Å
C18	C20	doub	0.00Å	1.50Å
C18	C19	sing	0.00Å	1.48Å
C19	H19	sing	0.00Å	1.10Å
C19	H19A	sing	0.00Å	1.10Å
C19	H19B	sing	0.00Å	1.10Å
C17	C18	sing	0.00Å	1.40Å
N3	C23	sing	0.00Å	1.34Å
N3	C17	sing	0.00Å	1.33Å
C16	C17	doub	0.00Å	1.32Å
C16	H16	sing	0.00Å	1.08Å
C15	C16	sing	0.00Å	1.34Å
C12	C15	sing	0.00Å	1.40Å
C12	C13	sing	0.00Å	1.51Å
C13	C14	sing	0.00Å	1.51Å
C13	H13	sing	0.00Å	1.10Å
C13	H13A	sing	0.00Å	1.10Å
C14	H14	sing	0.00Å	1.10Å
C14	H14A	sing	0.00Å	1.10Å
C14	H14B	sing	0.00Å	1.10Å
C10	C12	doub	0.00Å	1.49Å
C10	C9	sing	0.00Å	1.48Å
C11	C10	sing	0.00Å	1.50Å
C11	H11	sing	0.00Å	1.10Å
C11	H11A	sing	0.00Å	1.10Å
C11	H11B	sing	0.00Å	1.10Å
C9	N2	sing	0.00Å	1.33Å
C8	C7	sing	0.00Å	1.34Å
C8	C9	doub	0.00Å	1.35Å
C8	H8	sing	0.00Å	1.08Å
C34	C33	doub	0.00Å	1.26Å
C34	H34	sing	0.00Å	1.08Å
FE	N3	sing	0.00Å	2.05Å
FE	N4	sing	0.00Å	1.98Å
N4	C33	sing	0.00Å	1.34Å
N4	C25	doub	0.00Å	1.31Å
C25	C24	sing	0.00Å	1.49Å
C25	C26	sing	0.00Å	1.52Å
C33	C31	sing	0.00Å	1.51Å
C31	C32	sing	0.00Å	1.53Å
C32	H32	sing	0.00Å	1.10Å
C32	H32A	sing	0.00Å	1.10Å
C32	H32B	sing	0.00Å	1.10Å
C26	C31	sing	0.00Å	1.52Å
C27	C26	sing	0.00Å	1.54Å
C27	H27	sing	0.00Å	1.10Å
C27	H27A	sing	0.00Å	1.10Å
C28	C27	sing	0.00Å	1.56Å
C28	H28	sing	0.00Å	1.10Å
C28	H28A	sing	0.00Å	1.10Å
C29	C28	sing	0.00Å	1.52Å
O4	C29	doub	0.00Å	1.32Å
O2	C29	sing	0.00Å	1.45Å
C30	O2	sing	0.00Å	1.42Å
C30	H30	sing	0.00Å	1.10Å
C30	H30A	sing	0.00Å	1.10Å
C30	H30B	sing	0.00Å	1.10Å
C31	H33	sing	0.00Å	1.10Å
C26	H341	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	N1	FE	126.2°	90.0°
N1	C1	C34	109.8°	90.0°
N1	C1	C2	116.5°	90.0°
C1	N1	C7	104.6°	90.0°
FE	N1	C7	129.2°	90.0°
N1	FE	N2	88.6°	90.0°
N1	FE	N3	173.5°	90.0°
N1	FE	N4	90.6°	90.0°
C34	C1	C2	133.4°	90.0°
C1	C34	C33	151.3°	90.0°
C1	C34	H34	104.4°	90.0°
C1	C2	C4	100.3°	90.0°
C1	C2	C3	129.3°	90.0°
N1	C7	C4	112.7°	90.0°
N1	C7	C8	110.8°	90.0°
H6	C6	H6A	120.0°	90.0°
H6	C6	C5	120.0°	90.0°
H6A	C6	C5	120.0°	90.0°
C6	C5	C4	112.0°	90.0°
C6	C5	H5	124.0°	90.0°
C4	C5	H5	124.0°	90.0°
C5	C4	C2	126.2°	90.0°
C5	C4	C7	128.0°	90.0°
C2	C4	C7	105.8°	90.0°
C4	C2	C3	130.3°	90.0°
C4	C7	C8	136.4°	90.0°
C2	C3	H3	109.5°	90.0°
C2	C3	H3A	109.5°	90.0°
C2	C3	H3B	109.5°	90.0°
H3	C3	H3A	109.4°	90.0°
H3	C3	H3B	109.5°	90.0°
H3A	C3	H3B	109.5°	90.0°
C15	N2	FE	128.0°	90.0°
N2	C15	C16	113.2°	90.0°
N2	C15	C12	116.0°	90.0°
C15	N2	C9	105.5°	90.0°
FE	N2	C9	126.4°	90.0°
N2	FE	N3	86.1°	90.0°
N2	FE	N4	176.9°	90.0°
O1	C21	C20	124.6°	90.0°
O1	C21	C22	122.9°	90.0°
C21	C20	C23	104.2°	90.0°
C20	C21	C22	112.5°	90.0°
C21	C20	C18	147.6°	90.0°
C20	C23	C24	114.3°	90.0°
C23	C20	C18	108.2°	90.0°
C20	C23	N3	111.1°	90.0°
C23	C24	C22	103.7°	90.0°
C24	C23	N3	134.5°	90.0°
C23	C24	C25	117.8°	90.0°
C24	C22	C21	105.3°	90.0°
C24	C22	H22	110.5°	90.0°
C24	C22	H22A	110.5°	90.0°
C22	C24	C25	138.5°	90.0°
C21	C22	H22	110.5°	90.0°
C21	C22	H22A	110.5°	90.0°
H22	C22	H22A	109.5°	90.0°
C20	C18	C19	127.5°	90.0°
C20	C18	C17	99.9°	90.0°
C18	C19	H19	109.5°	90.0°
C18	C19	H19A	109.5°	90.0°
C18	C19	H19B	109.5°	90.0°
C19	C18	C17	132.6°	90.0°
H19	C19	H19A	109.4°	90.0°
H19	C19	H19B	109.4°	90.0°
H19A	C19	H19B	109.5°	90.0°
C18	C17	N3	113.2°	90.0°
C18	C17	C16	136.5°	90.0°
C23	N3	C17	107.5°	90.0°
C23	N3	FE	118.7°	90.0°
N3	C17	C16	110.2°	90.0°
C17	N3	FE	133.7°	90.0°
C17	C16	H16	105.7°	90.0°
C17	C16	C15	148.6°	90.0°
H16	C16	C15	105.7°	90.0°
C16	C15	C12	130.8°	90.0°
C15	C12	C13	129.3°	90.0°
C15	C12	C10	103.0°	90.0°
C12	C13	C14	106.8°	90.0°
C12	C13	H13	110.1°	90.0°
C12	C13	H13A	110.1°	90.0°
C13	C12	C10	127.7°	90.0°
C14	C13	H13	110.1°	90.0°
C14	C13	H13A	110.1°	90.0°
C13	C14	H14	109.5°	90.0°
C13	C14	H14A	109.5°	90.0°
C13	C14	H14B	109.5°	90.0°
H13	C13	H13A	109.5°	90.0°
H14	C14	H14A	109.5°	90.0°
H14	C14	H14B	109.5°	90.0°
H14A	C14	H14B	109.5°	90.0°
C12	C10	C9	102.7°	90.0°
C12	C10	C11	128.9°	90.0°
C9	C10	C11	128.4°	90.0°
C10	C9	N2	112.7°	90.0°
C10	C9	C8	132.5°	90.0°
C10	C11	H11	109.5°	90.0°
C10	C11	H11A	109.5°	90.0°
C10	C11	H11B	109.5°	90.0°
H11	C11	H11A	109.5°	90.0°
H11	C11	H11B	109.5°	90.0°
H11A	C11	H11B	109.4°	90.0°
N2	C9	C8	114.6°	90.0°
C7	C8	C9	150.1°	90.0°
C7	C8	H8	104.9°	90.0°
C9	C8	H8	105.0°	90.0°
C33	C34	H34	104.4°	90.0°
C34	C33	N4	116.2°	90.0°
C34	C33	C31	130.0°	90.0°
N3	FE	N4	94.4°	90.0°
FE	N4	C33	125.8°	90.0°
FE	N4	C25	127.1°	90.0°
C33	N4	C25	107.2°	90.0°
N4	C33	C31	113.8°	90.0°
N4	C25	C24	126.7°	90.0°
N4	C25	C26	113.8°	90.0°
C24	C25	C26	119.4°	90.0°
C25	C26	C31	100.8°	90.0°
C25	C26	C27	112.8°	90.0°
C25	C26	H341	110.4°	90.0°
C33	C31	C32	110.0°	90.0°
C33	C31	C26	100.6°	90.0°
C33	C31	H33	111.4°	90.0°
C31	C32	H32	109.5°	90.0°
C31	C32	H32A	109.4°	90.0°
C31	C32	H32B	109.5°	90.0°
C32	C31	C26	112.0°	90.0°
C32	C31	H33	111.1°	90.0°
H32	C32	H32A	109.5°	90.0°
H32	C32	H32B	109.4°	90.0°
H32A	C32	H32B	109.5°	90.0°
C31	C26	C27	111.9°	90.0°
C26	C31	H33	111.3°	90.0°
C31	C26	H341	110.4°	90.0°
C26	C27	H27	108.3°	90.0°
C26	C27	H27A	108.3°	90.0°
C26	C27	C28	114.0°	90.0°
C27	C26	H341	110.1°	90.0°
H27	C27	H27A	109.5°	90.0°
H27	C27	C28	108.3°	90.0°
H27A	C27	C28	108.3°	90.0°
C27	C28	H28	108.3°	90.0°
C27	C28	H28A	108.4°	90.0°
C27	C28	C29	113.9°	90.0°
H28	C28	H28A	109.5°	90.0°
H28	C28	C29	108.4°	90.0°
H28A	C28	C29	108.4°	90.0°
C28	C29	O4	122.4°	90.0°
C28	C29	O2	120.9°	90.0°
O4	C29	O2	116.6°	90.0°
C29	O2	C30	118.7°	90.0°
O2	C30	H30	109.5°	90.0°
O2	C30	H30A	109.5°	90.0°
O2	C30	H30B	109.4°	90.0°
H30	C30	H30A	109.5°	90.0°
H30	C30	H30B	109.5°	90.0°
H30A	C30	H30B	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	N1	FE	C7	176.0°	90.0°
N1	C1	C34	C2	173.6°	90.0°
N1	C1	C2	C4	3.3°	90.0°
C1	N1	C7	C4	3.2°	90.0°
N1	C1	C2	C3	179.4°	90.0°
C1	N1	FE	N2	179.2°	90.0°
C1	N1	C7	C8	179.3°	90.0°
N1	C1	C34	C33	1.9°	90.0°
N1	C1	C34	H34	178.1°	90.0°
C1	N1	FE	N3	142.7°	90.0°
C1	N1	FE	N4	2.2°	90.0°
FE	N1	C1	C34	4.2°	90.0°
FE	N1	C1	C2	179.0°	90.0°
FE	N1	C7	C4	179.9°	90.0°
N1	FE	N2	C15	173.1°	90.0°
N1	FE	N2	N3	176.1°	90.0°
N1	FE	N2	N4	75.5°	90.0°
N1	FE	N3	C23	142.3°	90.0°
N1	FE	N3	C17	35.6°	90.0°
N1	FE	N2	C9	3.4°	90.0°
FE	N1	C7	C8	2.6°	90.0°
N1	FE	N3	N4	140.3°	90.0°
N1	FE	N4	C33	2.9°	90.0°
N1	FE	N4	C25	176.8°	90.0°
C34	C1	N1	C7	179.0°	90.0°
C34	C1	C2	C4	176.5°	90.0°
C34	C1	C2	C3	6.2°	90.0°
C1	C34	C33	H34	180.0°	90.0°
C1	C34	C33	N4	3.3°	90.0°
C1	C34	C33	C31	177.9°	90.0°
C2	C1	N1	C7	4.2°	90.0°
C1	C2	C4	C5	179.6°	90.0°
C1	C2	C4	C3	177.3°	90.0°
C1	C2	C4	C7	1.1°	90.0°
C1	C2	C3	H3	88.3°	90.0°
C1	C2	C3	H3A	151.7°	90.0°
C1	C2	C3	H3B	31.7°	90.0°
C2	C1	C34	C33	175.5°	90.0°
C2	C1	C34	H34	4.5°	90.0°
N1	C7	C4	C5	177.9°	90.0°
N1	C7	C4	C2	1.3°	90.0°
N1	C7	C4	C8	176.5°	90.0°
C7	N1	FE	N2	4.8°	90.0°
N1	C7	C8	C9	4.9°	90.0°
N1	C7	C8	H8	175.1°	90.0°
C7	N1	FE	N3	41.2°	90.0°
C7	N1	FE	N4	178.3°	90.0°
H6	C6	H6A	C5	180.0°	90.0°
H6	C6	C5	C4	0.0°	90.0°
H6	C6	C5	H5	179.9°	90.0°
H6A	C6	C5	C4	180.0°	90.0°
H6A	C6	C5	H5	0.0°	90.0°
C6	C5	C4	H5	180.0°	90.0°
C6	C5	C4	C2	76.2°	90.0°
C6	C5	C4	C7	103.0°	90.0°
C5	C4	C2	C7	179.3°	90.0°
C5	C4	C2	C3	2.4°	90.0°
C5	C4	C7	C8	1.4°	90.0°
H5	C5	C4	C2	103.9°	90.0°
H5	C5	C4	C7	77.0°	90.0°
C4	C2	C3	H3	88.2°	90.0°
C4	C2	C3	H3A	31.8°	90.0°
C4	C2	C3	H3B	151.8°	90.0°
C2	C4	C7	C8	177.9°	90.0°
C7	C4	C2	C3	178.3°	90.0°
C4	C7	C8	C9	171.6°	90.0°
C4	C7	C8	H8	8.3°	90.0°
C2	C3	H3	H3A	120.0°	90.0°
C2	C3	H3	H3B	120.0°	90.0°
C2	C3	H3A	H3B	120.0°	90.0°
H3	C3	H3A	H3B	120.0°	90.0°
C15	N2	FE	C9	176.4°	90.0°
N2	C15	C16	C17	4.9°	90.0°
N2	C15	C16	H16	175.1°	90.0°
N2	C15	C16	C12	178.6°	90.0°
N2	C15	C12	C13	179.3°	90.0°
N2	C15	C12	C10	0.4°	90.0°
C15	N2	C9	C10	0.9°	90.0°
C15	N2	C9	C8	176.8°	90.0°
C15	N2	FE	N3	3.1°	90.0°
C15	N2	FE	N4	97.6°	90.0°
N2	FE	N3	C23	178.8°	90.0°
N2	FE	N3	C17	1.0°	90.0°
FE	N2	C15	C16	4.5°	90.0°
FE	N2	C15	C12	176.7°	90.0°
FE	N2	C9	C10	176.2°	90.0°
FE	N2	C9	C8	0.3°	90.0°
N2	FE	N3	N4	176.9°	90.0°
N2	FE	N4	C33	72.5°	90.0°
N2	FE	N4	C25	107.8°	90.0°
O1	C21	C20	C22	179.7°	90.0°
O1	C21	C20	C23	179.7°	90.0°
O1	C21	C22	C24	179.7°	90.0°
O1	C21	C22	H22	60.9°	90.0°
O1	C21	C22	H22A	60.4°	90.0°
O1	C21	C20	C18	2.6°	90.0°
C21	C20	C23	C18	178.7°	90.0°
C21	C20	C23	C24	0.5°	90.0°
C20	C21	C22	C24	0.6°	90.0°
C20	C21	C22	H22	118.7°	90.0°
C20	C21	C22	H22A	120.0°	90.0°
C21	C20	C18	C19	3.7°	90.0°
C21	C20	C18	C17	178.2°	90.0°
C21	C20	C23	N3	178.8°	90.0°
C20	C23	C24	N3	177.8°	90.0°
C20	C23	C24	C22	0.8°	90.0°
C23	C20	C21	C22	0.1°	90.0°
C23	C20	C18	C19	178.6°	90.0°
C23	C20	C18	C17	0.5°	90.0°
C20	C23	N3	C17	0.4°	90.0°
C20	C23	N3	FE	178.0°	90.0°
C20	C23	C24	C25	179.6°	90.0°
C23	C24	C22	C25	179.4°	90.0°
C23	C24	C22	C21	0.8°	90.0°
C23	C24	C22	H22	118.5°	90.0°
C23	C24	C22	H22A	120.2°	90.0°
C24	C23	C20	C18	178.2°	90.0°
C24	C23	N3	C17	178.3°	90.0°
C24	C23	N3	FE	0.1°	90.0°
C23	C24	C25	N4	7.6°	90.0°
C23	C24	C25	C26	174.1°	90.0°
C24	C22	C21	H22	119.3°	90.0°
C24	C22	C21	H22A	119.4°	90.0°
C24	C22	H22	H22A	122.0°	90.0°
C22	C24	C23	N3	178.7°	90.0°
C22	C24	C25	N4	173.1°	90.0°
C22	C24	C25	C26	5.2°	90.0°
C21	C22	H22	H22A	121.9°	90.0°
C22	C21	C20	C18	177.8°	90.0°
C21	C22	C24	C25	179.8°	90.0°
H22	C22	C24	C25	60.8°	90.0°
H22A	C22	C24	C25	60.5°	90.0°
C20	C18	C19	C17	177.4°	90.0°
C20	C18	C19	H19	180.0°	90.0°
C20	C18	C19	H19A	60.0°	90.0°
C20	C18	C19	H19B	60.0°	90.0°
C18	C20	C23	N3	0.1°	90.0°
C20	C18	C17	N3	0.8°	90.0°
C20	C18	C17	C16	177.8°	90.0°
C18	C19	H19	H19A	120.0°	90.0°
C18	C19	H19	H19B	120.0°	90.0°
C18	C19	H19A	H19B	120.0°	90.0°
C19	C18	C17	N3	178.7°	90.0°
C19	C18	C17	C16	4.2°	90.0°
H19	C19	H19A	H19B	120.0°	90.0°
H19	C19	C18	C17	2.6°	90.0°
H19A	C19	C18	C17	117.4°	90.0°
H19B	C19	C18	C17	122.6°	90.0°
C18	C17	N3	C23	0.8°	90.0°
C18	C17	N3	C16	177.8°	90.0°
C18	C17	C16	H16	5.7°	90.0°
C18	C17	C16	C15	174.3°	90.0°
C18	C17	N3	FE	177.2°	90.0°
C23	N3	C17	FE	178.0°	90.0°
C23	N3	C17	C16	178.6°	90.0°
C23	N3	FE	N4	1.9°	90.0°
N3	C23	C24	C25	1.8°	90.0°
N3	C17	C16	H16	177.2°	90.0°
N3	C17	C16	C15	2.8°	90.0°
C17	N3	FE	N4	175.9°	90.0°
C17	C16	H16	C15	180.0°	90.0°
C17	C16	C15	C12	176.5°	90.0°
C16	C17	N3	FE	0.6°	90.0°
H16	C16	C15	C12	3.5°	90.0°
C16	C15	C12	C13	0.7°	90.0°
C16	C15	C12	C10	179.0°	90.0°
C16	C15	N2	C9	178.5°	90.0°
C15	C12	C13	C10	179.6°	90.0°
C15	C12	C13	C14	93.3°	90.0°
C15	C12	C13	H13	147.1°	90.0°
C15	C12	C13	H13A	26.3°	90.0°
C15	C12	C10	C9	0.9°	90.0°
C15	C12	C10	C11	178.9°	90.0°
C12	C15	N2	C9	0.3°	90.0°
C12	C13	C14	H13	119.6°	90.0°
C12	C13	C14	H13A	119.6°	90.0°
C12	C13	H13	H13A	121.2°	90.0°
C12	C13	C14	H14	180.0°	90.0°
C12	C13	C14	H14A	60.0°	90.0°
C12	C13	C14	H14B	60.0°	90.0°
C13	C12	C10	C9	178.8°	90.0°
C13	C12	C10	C11	0.8°	90.0°
C14	C13	H13	H13A	121.2°	90.0°
C13	C14	H14	H14A	120.0°	90.0°
C13	C14	H14	H14B	120.0°	90.0°
C13	C14	H14A	H14B	120.0°	90.0°
C14	C13	C12	C10	87.1°	90.0°
H13	C13	C14	H14	60.4°	90.0°
H13	C13	C14	H14A	179.6°	90.0°
H13	C13	C14	H14B	59.6°	90.0°
H13	C13	C12	C10	32.5°	90.0°
H13A	C13	C14	H14	60.4°	90.0°
H13A	C13	C14	H14A	59.6°	90.0°
H13A	C13	C14	H14B	179.6°	90.0°
H13A	C13	C12	C10	153.3°	90.0°
H14	C14	H14A	H14B	120.0°	90.0°
C12	C10	C9	C11	178.1°	90.0°
C12	C10	C11	H11	180.0°	90.0°
C12	C10	C11	H11A	60.0°	90.0°
C12	C10	C11	H11B	60.0°	90.0°
C12	C10	C9	N2	1.2°	90.0°
C12	C10	C9	C8	176.0°	90.0°
C9	C10	C11	H11	2.4°	90.0°
C9	C10	C11	H11A	117.6°	90.0°
C9	C10	C11	H11B	122.4°	90.0°
C10	C9	N2	C8	175.8°	90.0°
C10	C9	C8	C7	168.6°	90.0°
C10	C9	C8	H8	11.4°	90.0°
C10	C11	H11	H11A	120.0°	90.0°
C10	C11	H11	H11B	120.0°	90.0°
C10	C11	H11A	H11B	120.0°	90.0°
C11	C10	C9	N2	179.2°	90.0°
C11	C10	C9	C8	5.9°	90.0°
H11	C11	H11A	H11B	120.0°	90.0°
N2	C9	C8	C7	6.2°	90.0°
N2	C9	C8	H8	173.8°	90.0°
C9	N2	FE	N3	179.5°	90.0°
C9	N2	FE	N4	78.8°	90.0°
C7	C8	C9	H8	180.0°	90.0°
C34	C33	N4	FE	5.3°	90.0°
C34	C33	N4	C31	179.0°	90.0°
C34	C33	N4	C25	174.5°	90.0°
C34	C33	C31	C32	78.4°	90.0°
C34	C33	C31	C26	163.4°	90.0°
C34	C33	C31	H33	45.3°	90.0°
H34	C34	C33	N4	176.7°	90.0°
H34	C34	C33	C31	2.1°	90.0°
N3	FE	N4	C33	173.0°	90.0°
N3	FE	N4	C25	7.3°	90.0°
FE	N4	C33	C25	179.8°	90.0°
FE	N4	C25	C24	11.1°	90.0°
FE	N4	C25	C26	170.5°	90.0°
FE	N4	C33	C31	175.7°	90.0°
C33	N4	C25	C24	169.1°	90.0°
C33	N4	C25	C26	9.2°	90.0°
N4	C33	C31	C32	102.8°	90.0°
N4	C33	C31	C26	15.4°	90.0°
N4	C33	C31	H33	133.5°	90.0°
N4	C25	C24	C26	178.3°	90.0°
C25	N4	C33	C31	4.5°	90.0°
N4	C25	C26	C31	18.4°	90.0°
N4	C25	C26	C27	101.2°	90.0°
N4	C25	C26	H341	135.1°	90.0°
C24	C25	C26	C31	160.1°	90.0°
C24	C25	C26	C27	80.3°	90.0°
C24	C25	C26	H341	43.4°	90.0°
C25	C26	C31	C33	18.0°	90.0°
C25	C26	C31	C32	98.8°	90.0°
C25	C26	C31	C27	120.2°	90.0°
C25	C26	C31	H341	116.8°	90.0°
C25	C26	C27	H341	123.9°	90.0°
C25	C26	C27	H27	73.8°	90.0°
C25	C26	C27	H27A	44.8°	90.0°
C25	C26	C27	C28	165.5°	90.0°
C25	C26	C31	H33	136.1°	90.0°
C33	C31	C32	C26	111.0°	90.0°
C33	C31	C32	H33	123.9°	90.0°
C33	C31	C32	H32	180.0°	90.0°
C33	C31	C32	H32A	60.0°	90.0°
C33	C31	C32	H32B	60.0°	90.0°
C33	C31	C26	H33	118.1°	90.0°
C33	C31	C26	C27	102.2°	90.0°
C33	C31	C26	H341	134.7°	90.0°
C31	C32	H32	H32A	120.0°	90.0°
C31	C32	H32	H32B	120.0°	90.0°
C31	C32	H32A	H32B	120.0°	90.0°
C32	C31	C26	H33	125.1°	90.0°
C32	C31	C26	C27	141.0°	90.0°
C32	C31	C26	H341	17.9°	90.0°
H32	C32	H32A	H32B	120.0°	90.0°
H32	C32	C31	C26	69.0°	90.0°
H32	C32	C31	H33	56.1°	90.0°
H32A	C32	C31	C26	171.0°	90.0°
H32A	C32	C31	H33	63.9°	90.0°
H32B	C32	C31	C26	50.9°	90.0°
H32B	C32	C31	H33	176.1°	90.0°
C31	C26	C27	H341	123.2°	90.0°
C31	C26	C27	H27	173.3°	90.0°
C31	C26	C27	H27A	68.0°	90.0°
C31	C26	C27	C28	52.6°	90.0°
C26	C27	H27	H27A	118.0°	90.0°
C26	C27	H27	C28	124.1°	90.0°
C26	C27	H27A	C28	124.1°	90.0°
C26	C27	C28	H28	44.6°	90.0°
C26	C27	C28	H28A	74.1°	90.0°
C26	C27	C28	C29	165.2°	90.0°
C27	C26	C31	H33	15.9°	90.0°
H27	C27	H27A	C28	118.0°	90.0°
H27	C27	C28	H28	165.2°	90.0°
H27	C27	C28	H28A	46.5°	90.0°
H27	C27	C28	C29	74.1°	90.0°
H27	C27	C26	H341	50.1°	90.0°
H27A	C27	C28	H28	76.1°	90.0°
H27A	C27	C28	H28A	165.2°	90.0°
H27A	C27	C28	C29	44.5°	90.0°
H27A	C27	C26	H341	168.8°	90.0°
C27	C28	H28	H28A	118.0°	90.0°
C27	C28	H28	C29	124.0°	90.0°
C27	C28	H28A	C29	124.0°	90.0°
C27	C28	C29	O4	2.7°	90.0°
C27	C28	C29	O2	180.0°	90.0°
C28	C27	C26	H341	70.6°	90.0°
H28	C28	H28A	C29	118.0°	90.0°
H28	C28	C29	O4	123.3°	90.0°
H28	C28	C29	O2	59.4°	90.0°
H28A	C28	C29	O4	118.0°	90.0°
H28A	C28	C29	O2	59.3°	90.0°
C28	C29	O4	O2	177.4°	90.0°
C28	C29	O2	C30	173.4°	90.0°
O4	C29	O2	C30	9.1°	90.0°
C29	O2	C30	H30	180.0°	90.0°
C29	O2	C30	H30A	60.0°	90.0°
C29	O2	C30	H30B	60.0°	90.0°
O2	C30	H30	H30A	120.0°	90.0°
O2	C30	H30	H30B	120.0°	90.0°
O2	C30	H30A	H30B	119.9°	90.0°
H30	C30	H30A	H30B	120.0°	90.0°
H33	C31	C26	H341	107.1°	90.0°

Definition date:	2008-01-14
Last modified:	2023-09-23
Release status:	REL
Processing site:	RCSB
Derived from:	3BA2