082

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O5	C25	doub	1.21Å	1.22Å
N4	C25	sing	1.34Å	1.33Å
N4	C24	sing	1.35Å	1.32Å
C25	O4	sing	1.34Å	1.36Å
C21	C20	doub	1.38Å	1.38Å	Aromatic
C21	C22	sing	1.38Å	1.38Å	Aromatic
C24	O6	doub	1.21Å	1.22Å
C24	C23	sing	1.52Å	1.50Å
C20	C19	sing	1.38Å	1.38Å	Aromatic
C22	C17	doub	1.38Å	1.38Å	Aromatic
O4	C23	sing	1.46Å	1.41Å
C19	C23	sing	1.51Å	1.51Å
C19	C18	doub	1.38Å	1.38Å	Aromatic
C17	C18	sing	1.38Å	1.38Å	Aromatic
C17	C16	sing	1.51Å	1.49Å
C23	C26	sing	1.53Å	1.50Å
C16	N2	sing	1.47Å	1.44Å
O1	C9	doub	1.22Å	1.22Å
N2	C9	sing	1.35Å	1.38Å
N2	C7	sing	1.39Å	1.40Å
C9	N1	sing	1.35Å	1.39Å
C7	C13	doub	1.39Å	1.37Å	Aromatic
C7	C8	sing	1.40Å	1.36Å	Aromatic
C13	C10	sing	1.38Å	1.38Å	Aromatic
C2	C3	doub	1.37Å	1.38Å	Aromatic
C2	C1	sing	1.40Å	1.39Å	Aromatic
C3	C4	sing	1.39Å	1.38Å	Aromatic
N1	C8	sing	1.39Å	1.40Å
N1	C14	sing	1.39Å	1.39Å
C8	C12	doub	1.39Å	1.38Å	Aromatic
C1	C14	sing	1.47Å	1.42Å	Aromatic
C1	C6	doub	1.40Å	1.38Å	Aromatic
C10	C11	doub	1.38Å	1.38Å	Aromatic
C14	N3	doub	1.30Å	1.34Å	Aromatic
C4	O3	sing	1.36Å	1.39Å
C4	C5	doub	1.38Å	1.38Å	Aromatic
O3	C15	sing	1.43Å	1.43Å
C12	C11	sing	1.38Å	1.38Å	Aromatic
C6	C5	sing	1.39Å	1.37Å	Aromatic
C6	O2	sing	1.35Å	1.36Å	Aromatic
N3	O2	sing	1.41Å	1.39Å	Aromatic
C11	H1	sing	1.08Å	1.08Å
C10	H2	sing	1.08Å	1.08Å
C21	H3	sing	1.08Å	1.08Å
C2	H4	sing	1.08Å	1.08Å
C20	H5	sing	1.08Å	1.08Å
C22	H6	sing	1.08Å	1.08Å
C12	H7	sing	1.08Å	1.08Å
C13	H8	sing	1.08Å	1.08Å
C3	H9	sing	1.08Å	1.08Å
C18	H10	sing	1.08Å	1.08Å
C5	H11	sing	1.08Å	1.08Å
C26	H12	sing	1.09Å	1.10Å
C26	H13	sing	1.09Å	1.10Å
C26	H14	sing	1.09Å	1.10Å
C15	H15	sing	1.09Å	1.10Å
C15	H16	sing	1.09Å	1.10Å
C15	H17	sing	1.09Å	1.10Å
C16	H18	sing	1.09Å	1.10Å
C16	H19	sing	1.09Å	1.10Å
N4	H20	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O5	C25	N4	126.3°	123.8°
O5	C25	O4	122.5°	123.8°
C25	N4	C24	108.3°	111.3°
N4	C25	O4	110.5°	112.4°
C25	N4	H20	125.8°	124.4°
N4	C24	O6	126.1°	127.2°
N4	C24	C23	109.7°	105.6°
C24	N4	H20	125.9°	124.3°
C25	O4	C23	108.8°	106.9°
C20	C21	C22	120.6°	120.0°
C21	C20	C19	120.5°	120.0°
C20	C21	H3	119.7°	120.0°
C21	C20	H5	119.8°	120.0°
C21	C22	C17	119.8°	120.0°
C22	C21	H3	119.7°	120.0°
C21	C22	H6	120.1°	120.0°
O6	C24	C23	123.4°	127.2°
C24	C23	O4	99.5°	103.8°
C24	C23	C19	103.9°	110.6°
C24	C23	C26	115.9°	110.6°
C20	C19	C23	124.6°	120.0°
C20	C19	C18	118.1°	120.0°
C19	C20	H5	119.7°	120.0°
C22	C17	C18	119.1°	120.0°
C22	C17	C16	119.7°	120.0°
C17	C22	H6	120.1°	120.0°
O4	C23	C19	101.8°	110.6°
O4	C23	C26	116.3°	110.7°
C23	C19	C18	117.2°	120.0°
C19	C23	C26	117.0°	110.5°
C19	C18	C17	121.9°	120.0°
C19	C18	H10	119.1°	120.0°
C18	C17	C16	121.2°	120.0°
C17	C18	H10	119.0°	120.0°
C17	C16	N2	112.7°	109.5°
C17	C16	H18	108.4°	109.5°
C17	C16	H19	108.4°	109.5°
C23	C26	H12	109.5°	109.5°
C23	C26	H13	109.5°	109.5°
C23	C26	H14	109.5°	109.5°
C16	N2	C9	125.6°	125.8°
C16	N2	C7	124.1°	125.8°
N2	C16	H18	108.4°	109.5°
N2	C16	H19	108.4°	109.4°
O1	C9	N2	127.2°	125.2°
O1	C9	N1	128.1°	125.2°
C9	N2	C7	109.8°	108.4°
N2	C9	N1	104.7°	109.7°
N2	C7	C13	130.6°	133.3°
N2	C7	C8	108.0°	106.8°
C9	N1	C8	110.9°	108.4°
C9	N1	C14	126.9°	125.8°
C13	C7	C8	121.4°	119.9°
C7	C13	C10	117.0°	119.9°
C7	C13	H8	121.5°	120.1°
C7	C8	N1	106.6°	106.8°
C7	C8	C12	122.3°	119.8°
C13	C10	C11	121.7°	120.3°
C13	C10	H2	119.1°	119.9°
C10	C13	H8	121.5°	120.0°
C3	C2	C1	117.2°	119.8°
C2	C3	C4	122.0°	120.5°
C3	C2	H4	121.4°	120.1°
C2	C3	H9	119.0°	119.7°
C2	C1	C14	137.1°	133.6°
C2	C1	C6	118.7°	120.0°
C1	C2	H4	121.4°	120.1°
C3	C4	O3	117.7°	119.8°
C3	C4	C5	122.1°	120.5°
C4	C3	H9	119.0°	119.8°
C8	N1	C14	122.1°	125.9°
N1	C8	C12	131.1°	133.4°
N1	C14	C1	126.3°	126.3°
N1	C14	N3	122.4°	126.4°
C8	C12	C11	116.8°	119.9°
C8	C12	H7	121.6°	120.1°
C14	C1	C6	104.2°	106.4°
C1	C14	N3	111.2°	107.3°
C1	C6	C5	125.5°	119.5°
C1	C6	O2	109.1°	107.2°
C10	C11	C12	120.8°	120.2°
C10	C11	H1	119.6°	119.9°
C11	C10	H2	119.2°	119.9°
C14	N3	O2	105.8°	109.6°
O3	C4	C5	120.2°	119.8°
C4	O3	C15	107.7°	117.0°
C4	C5	C6	114.4°	119.7°
C4	C5	H11	122.8°	120.1°
O3	C15	H15	109.5°	109.5°
O3	C15	H16	109.5°	109.5°
O3	C15	H17	109.4°	109.5°
C12	C11	H1	119.6°	119.9°
C11	C12	H7	121.6°	120.0°
C5	C6	O2	125.4°	133.3°
C6	C5	H11	122.8°	120.1°
C6	O2	N3	109.7°	109.5°
H12	C26	H13	109.5°	109.5°
H12	C26	H14	109.5°	109.4°
H13	C26	H14	109.5°	109.4°
H15	C15	H16	109.5°	109.4°
H15	C15	H17	109.4°	109.4°
H16	C15	H17	109.5°	109.5°
H18	C16	H19	110.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O5	C25	N4	O4	170.8°	180.0°
O5	C25	N4	C24	174.2°	179.8°
O5	C25	O4	C23	174.6°	180.0°
O5	C25	N4	H20	5.8°	0.0°
C25	N4	C24	H20	180.0°	179.9°
C25	N4	C24	O6	178.8°	180.0°
C25	N4	C24	C23	8.2°	0.2°
N4	C25	O4	C23	14.2°	0.0°
C24	N4	C25	O4	3.4°	0.2°
N4	C24	O6	C23	169.4°	179.7°
N4	C24	C23	O4	15.6°	0.2°
N4	C24	C23	C19	89.2°	118.3°
N4	C24	C23	C26	141.0°	119.0°
C25	O4	C23	C24	17.2°	0.1°
C25	O4	C23	C19	89.2°	118.4°
C25	O4	C23	C26	142.4°	118.8°
O4	C25	N4	H20	176.6°	180.0°
C20	C21	C22	H3	180.0°	179.9°
C21	C20	C19	H5	180.0°	179.9°
C20	C21	C22	C17	0.1°	0.1°
C21	C20	C19	C23	179.0°	180.0°
C21	C20	C19	C18	0.9°	0.1°
C20	C21	C22	H6	179.9°	179.9°
C22	C21	C20	C19	0.7°	0.1°
C21	C22	C17	H6	180.0°	180.0°
C21	C22	C17	C18	0.4°	0.1°
C21	C22	C17	C16	179.9°	180.0°
C22	C21	C20	H5	179.3°	180.0°
O6	C24	C23	O4	173.5°	180.0°
O6	C24	C23	C19	81.7°	61.5°
O6	C24	C23	C26	48.1°	61.2°
O6	C24	N4	H20	1.3°	0.1°
C24	C23	C19	C20	96.9°	30.0°
C24	C23	O4	C19	106.4°	118.5°
C24	C23	O4	C26	125.2°	118.7°
C24	C23	C19	C26	129.1°	122.8°
C24	C23	C19	C18	85.0°	149.9°
C24	C23	C26	H12	180.0°	177.3°
C24	C23	C26	H13	60.0°	57.2°
C24	C23	C26	H14	60.0°	62.7°
C23	C24	N4	H20	171.9°	179.9°
C20	C19	C23	O4	6.1°	144.3°
C20	C19	C23	C18	178.1°	179.9°
C20	C19	C18	C17	0.4°	0.0°
C20	C19	C23	C26	134.0°	92.8°
C19	C20	C21	H3	179.3°	179.7°
C20	C19	C18	H10	179.5°	180.0°
C22	C17	C18	C19	0.2°	0.0°
C22	C17	C18	C16	179.5°	180.0°
C22	C17	C16	N2	134.6°	90.0°
C17	C22	C21	H3	179.9°	179.7°
C22	C17	C18	H10	179.8°	180.0°
C22	C17	C16	H18	105.4°	150.0°
C22	C17	C16	H19	14.6°	30.0°
O4	C23	C19	C26	128.0°	122.9°
O4	C23	C19	C18	172.1°	35.6°
O4	C23	C26	H12	63.7°	62.8°
O4	C23	C26	H13	56.3°	57.2°
O4	C23	C26	H14	176.3°	177.2°
C23	C19	C18	C17	178.7°	179.9°
C23	C19	C20	H5	1.0°	0.1°
C23	C19	C18	H10	1.3°	0.1°
C19	C23	C26	H12	56.9°	60.0°
C19	C23	C26	H13	176.9°	180.0°
C19	C23	C26	H14	63.1°	60.0°
C19	C18	C17	H10	180.0°	180.0°
C19	C18	C17	C16	179.7°	180.0°
C18	C19	C23	C26	44.1°	87.3°
C18	C19	C20	H5	179.2°	180.0°
C18	C17	C16	N2	45.9°	90.0°
C18	C17	C22	H6	179.6°	180.0°
C18	C17	C16	H18	74.1°	30.0°
C18	C17	C16	H19	165.9°	150.0°
C17	C16	N2	H18	120.0°	120.1°
C17	C16	N2	H19	120.0°	120.0°
C17	C16	N2	C9	100.9°	90.0°
C17	C16	N2	C7	87.9°	90.2°
C16	C17	C22	H6	0.1°	0.0°
C16	C17	C18	H10	0.4°	0.0°
C17	C16	H18	H19	118.7°	120.0°
C23	C26	H12	H13	120.0°	120.1°
C23	C26	H12	H14	120.0°	120.0°
C23	C26	H13	H14	120.0°	120.0°
C16	N2	C9	O1	9.6°	0.0°
C16	N2	C9	C7	172.2°	179.9°
C16	N2	C9	N1	171.4°	180.0°
C16	N2	C7	C13	7.7°	0.2°
C16	N2	C7	C8	172.4°	180.0°
N2	C16	H18	H19	118.7°	119.9°
O1	C9	N2	N1	179.0°	179.9°
O1	C9	N2	C7	178.2°	179.9°
O1	C9	N1	C8	177.5°	180.0°
O1	C9	N1	C14	6.4°	0.1°
C9	N2	C7	C13	179.9°	179.6°
C9	N2	C7	C8	0.1°	0.1°
N2	C9	N1	C8	1.5°	0.1°
N2	C9	N1	C14	174.5°	180.0°
C9	N2	C16	H18	19.1°	30.1°
C9	N2	C16	H19	139.1°	150.1°
C7	N2	C9	N1	0.9°	0.1°
N2	C7	C13	C8	179.8°	179.7°
N2	C7	C13	C10	179.7°	180.0°
N2	C7	C8	N1	1.0°	0.0°
N2	C7	C8	C12	180.0°	179.9°
N2	C7	C13	H8	0.3°	0.0°
C7	N2	C16	H18	152.1°	149.7°
C7	N2	C16	H19	32.1°	29.8°
C9	N1	C8	C7	1.6°	0.0°
C9	N1	C8	C14	176.3°	179.9°
C9	N1	C8	C12	179.5°	179.9°
C9	N1	C14	C1	40.6°	93.8°
C9	N1	C14	N3	138.4°	86.3°
C7	C13	C10	H8	180.0°	180.0°
C13	C7	C8	N1	179.2°	179.8°
C13	C7	C8	C12	0.2°	0.3°
C7	C13	C10	C11	0.1°	0.0°
C7	C13	C10	H2	179.8°	180.0°
C8	C7	C13	C10	0.1°	0.3°
C7	C8	N1	C12	178.9°	179.9°
C7	C8	N1	C14	174.7°	179.9°
C7	C8	C12	C11	0.4°	0.0°
C7	C8	C12	H7	179.6°	180.0°
C8	C7	C13	H8	179.9°	179.7°
C13	C10	C11	H2	180.0°	180.0°
C13	C10	C11	C12	0.1°	0.3°
C13	C10	C11	H1	179.9°	180.0°
C3	C2	C1	H4	180.0°	179.8°
C2	C3	C4	H9	180.0°	180.0°
C3	C2	C1	C14	179.2°	180.0°
C3	C2	C1	C6	0.6°	0.0°
C2	C3	C4	O3	179.5°	180.0°
C2	C3	C4	C5	0.3°	0.0°
C1	C2	C3	C4	0.2°	0.0°
C2	C1	C14	N1	1.3°	0.1°
C2	C1	C14	C6	179.8°	179.9°
C2	C1	C14	N3	179.6°	180.0°
C2	C1	C6	C5	0.5°	0.1°
C2	C1	C6	O2	179.2°	180.0°
C1	C2	C3	H9	179.8°	180.0°
C3	C4	O3	C5	179.9°	180.0°
C3	C4	O3	C15	162.0°	0.0°
C3	C4	C5	C6	0.4°	0.0°
C4	C3	C2	H4	179.8°	179.7°
C3	C4	C5	H11	179.6°	179.9°
C8	N1	C14	C1	135.0°	86.4°
C8	N1	C14	N3	46.0°	93.6°
N1	C8	C12	C11	179.2°	179.9°
N1	C8	C12	H7	0.8°	0.1°
C14	N1	C8	C12	4.2°	0.2°
N1	C14	C1	N3	179.1°	180.0°
N1	C14	C1	C6	178.5°	180.0°
N1	C14	N3	O2	179.1°	180.0°
C8	C12	C11	C10	0.4°	0.3°
C8	C12	C11	H7	180.0°	180.0°
C8	C12	C11	H1	179.7°	180.0°
C14	C1	C6	C5	179.3°	180.0°
C14	C1	C6	O2	0.9°	0.0°
C1	C14	N3	O2	0.1°	0.1°
C14	C1	C2	H4	0.8°	0.2°
C6	C1	C14	N3	0.7°	0.0°
C1	C6	C5	C4	0.0°	0.1°
C1	C6	C5	O2	179.7°	180.0°
C1	C6	O2	N3	0.9°	0.0°
C6	C1	C2	H4	179.4°	179.7°
C1	C6	C5	H11	179.9°	179.9°
C10	C11	C12	H1	180.0°	179.7°
C10	C11	C12	H7	179.6°	179.7°
C11	C10	C13	H8	179.8°	180.0°
C14	N3	O2	C6	0.5°	0.1°
O3	C4	C5	C6	179.5°	180.0°
O3	C4	C3	H9	0.5°	0.1°
O3	C4	C5	H11	0.5°	0.1°
C4	O3	C15	H15	180.0°	179.9°
C4	O3	C15	H16	60.0°	60.0°
C4	O3	C15	H17	60.0°	60.1°
C5	C4	O3	C15	18.2°	180.0°
C4	C5	C6	H11	180.0°	179.9°
C4	C5	C6	O2	179.7°	180.0°
C5	C4	C3	H9	179.6°	180.0°
O3	C15	H15	H16	120.0°	120.0°
O3	C15	H15	H17	120.0°	120.0°
O3	C15	H16	H17	120.0°	120.1°
C12	C11	C10	H2	179.9°	179.7°
C5	C6	O2	N3	179.3°	180.0°
O2	C6	C5	H11	0.3°	0.1°
H1	C11	C10	H2	0.1°	0.0°
H1	C11	C12	H7	0.4°	0.0°
H2	C10	C13	H8	0.2°	0.0°
H3	C21	C20	H5	0.7°	0.2°
H3	C21	C22	H6	0.1°	0.2°
H4	C2	C3	H9	0.2°	0.3°
H12	C26	H13	H14	120.0°	119.9°
H15	C15	H16	H17	120.0°	119.9°

Definition date:	2011-10-10
Last modified:	2011-11-18
Release status:	REL
Processing site:	RCSB
Derived from:	3TY0