310

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C23	C22	doub	1.40Å	1.41Å	Aromatic
C23	C24	sing	1.38Å	1.40Å	Aromatic
C22	C27	sing	1.40Å	1.41Å	Aromatic
C22	C18	sing	1.48Å	1.47Å	Aromatic
C21	N2	sing	1.38Å	1.39Å
C21	N3	doub	1.30Å	1.39Å
C21	N4	sing	1.37Å	1.39Å
C20	C19	sing	1.51Å	1.50Å
C20	O3	doub	1.21Å	1.23Å
C20	N2	sing	1.35Å	1.44Å
C24	C25	doub	1.38Å	1.40Å	Aromatic
C26	C27	doub	1.38Å	1.40Å	Aromatic
C26	C25	sing	1.38Å	1.40Å	Aromatic
C27	CL1	sing	1.74Å	1.73Å
C18	C17	doub	1.36Å	1.38Å	Aromatic
C18	N1	sing	1.37Å	1.39Å	Aromatic
C10	C11	doub	1.38Å	1.40Å	Aromatic
C10	C9	sing	1.39Å	1.40Å	Aromatic
C7	C6	doub	1.39Å	1.40Å	Aromatic
C7	C8	sing	1.37Å	1.40Å	Aromatic
C5	C6	sing	1.39Å	1.40Å	Aromatic
C5	C4	doub	1.37Å	1.40Å	Aromatic
C6	O2	sing	1.36Å	1.38Å
C1	C2	sing	1.51Å	1.50Å
C2	C3	sing	1.47Å	1.50Å
C2	O1	doub	1.21Å	1.23Å
C3	C4	sing	1.40Å	1.41Å	Aromatic
C3	C8	doub	1.40Å	1.40Å	Aromatic
C11	C12	sing	1.40Å	1.40Å	Aromatic
C12	C13	doub	1.40Å	1.41Å	Aromatic
C12	C15	sing	1.48Å	1.48Å	Aromatic
C13	C14	sing	1.38Å	1.41Å	Aromatic
C14	C9	doub	1.39Å	1.41Å	Aromatic
C15	C16	doub	1.37Å	1.39Å	Aromatic
C15	N1	sing	1.37Å	1.39Å	Aromatic
C16	C17	sing	1.40Å	1.41Å	Aromatic
O2	C9	sing	1.36Å	1.39Å
N1	C19	sing	1.47Å	1.46Å
C23	H23	sing	1.08Å	1.08Å
C24	H24	sing	1.08Å	1.08Å
C26	H26	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
C7	H7	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
C1	H1	sing	1.09Å	1.10Å
C1	H1A	sing	1.09Å	1.10Å
C1	H1B	sing	1.09Å	1.10Å
C4	H4	sing	1.08Å	1.08Å
C11	H11	sing	1.08Å	1.08Å
C13	H13	sing	1.08Å	1.08Å
C14	H14	sing	1.08Å	1.08Å
C16	H16	sing	1.08Å	1.08Å
C17	H17	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
C19	H19	sing	1.09Å	1.10Å
C19	H19A	sing	1.09Å	1.10Å
N2	HN2	sing	0.97Å	1.00Å
N3	HN3	sing	0.97Å	1.00Å
N4	HN4	sing	0.97Å	1.00Å
N4	HN4A	sing	0.97Å	1.00Å
C25	H25	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C22	C23	C24	120.5°	119.9°
C23	C22	C27	118.6°	119.7°
C23	C22	C18	118.3°	120.2°
C22	C23	H23	119.8°	120.1°
C23	C24	C25	120.3°	120.2°
C24	C23	H23	119.8°	120.1°
C23	C24	H24	119.8°	119.9°
C27	C22	C18	123.1°	120.1°
C22	C27	C26	120.8°	119.8°
C22	C27	CL1	121.9°	120.1°
C22	C18	C17	127.8°	126.0°
C22	C18	N1	125.2°	125.9°
N2	C21	N3	117.2°	120.0°
N2	C21	N4	121.3°	120.0°
C21	N2	C20	126.7°	120.0°
C21	N2	HN2	116.6°	120.0°
N3	C21	N4	119.1°	120.0°
C21	N3	HN3	108.5°	120.0°
C21	N4	HN4	109.2°	120.0°
C21	N4	HN4A	125.4°	120.0°
C19	C20	O3	123.5°	120.0°
C19	C20	N2	112.8°	120.0°
C20	C19	N1	109.5°	109.5°
C20	C19	H19	109.5°	109.5°
C20	C19	H19A	109.5°	109.5°
O3	C20	N2	123.7°	120.0°
C20	N2	HN2	116.7°	120.0°
C24	C25	C26	120.2°	120.3°
C25	C24	H24	119.9°	119.9°
C24	C25	H25	119.9°	119.8°
C27	C26	C25	119.7°	120.1°
C26	C27	CL1	117.3°	120.1°
C27	C26	H26	120.1°	119.9°
C25	C26	H26	120.1°	119.9°
C26	C25	H25	119.9°	119.9°
C17	C18	N1	106.9°	108.1°
C18	C17	C16	107.9°	107.7°
C18	C17	H17	126.1°	126.2°
C18	N1	C15	110.4°	108.5°
C18	N1	C19	123.9°	125.8°
C11	C10	C9	120.7°	120.1°
C10	C11	C12	120.7°	119.9°
C11	C10	H10	119.7°	119.9°
C10	C11	H11	119.6°	120.1°
C10	C9	C14	119.3°	120.1°
C10	C9	O2	114.8°	119.9°
C9	C10	H10	119.7°	119.9°
C6	C7	C8	120.2°	120.1°
C7	C6	C5	119.8°	120.2°
C7	C6	O2	124.2°	119.9°
C6	C7	H7	119.9°	119.9°
C7	C8	C3	120.4°	119.9°
C8	C7	H7	119.9°	120.0°
C7	C8	H8	119.8°	120.0°
C6	C5	C4	120.1°	120.1°
C5	C6	O2	116.0°	119.9°
C6	C5	H5	119.9°	119.9°
C5	C4	C3	120.4°	119.9°
C4	C5	H5	120.0°	120.0°
C5	C4	H4	119.8°	120.1°
C6	O2	C9	125.2°	118.0°
C1	C2	C3	118.3°	119.9°
C1	C2	O1	118.1°	120.0°
C2	C1	H1	109.5°	109.5°
C2	C1	H1A	109.5°	109.4°
C2	C1	H1B	109.5°	109.5°
C3	C2	O1	120.6°	120.0°
C2	C3	C4	119.4°	120.1°
C2	C3	C8	121.5°	120.2°
C4	C3	C8	119.1°	119.7°
C3	C4	H4	119.8°	120.0°
C3	C8	H8	119.8°	120.1°
C11	C12	C13	118.3°	119.8°
C11	C12	C15	119.4°	120.1°
C12	C11	H11	119.6°	120.0°
C13	C12	C15	122.2°	120.0°
C12	C13	C14	121.0°	119.9°
C12	C13	H13	119.5°	120.1°
C12	C15	C16	126.3°	125.9°
C12	C15	N1	127.9°	126.0°
C13	C14	C9	119.9°	120.1°
C14	C13	H13	119.5°	120.1°
C13	C14	H14	120.1°	119.9°
C14	C9	O2	125.8°	119.9°
C9	C14	H14	120.0°	120.0°
C16	C15	N1	105.8°	108.1°
C15	C16	C17	108.9°	107.6°
C15	C16	H16	125.5°	126.1°
C15	N1	C19	125.6°	125.7°
C17	C16	H16	125.5°	126.3°
C16	C17	H17	126.1°	126.1°
N1	C19	H19	109.4°	109.4°
N1	C19	H19A	109.4°	109.5°
H1	C1	H1A	109.4°	109.5°
H1	C1	H1B	109.5°	109.5°
H1A	C1	H1B	109.5°	109.5°
H19	C19	H19A	109.5°	109.5°
HN4	N4	HN4A	125.4°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C22	C23	C24	H23	180.0°	179.8°
C23	C22	C27	C18	179.9°	179.9°
C22	C23	C24	C25	0.1°	0.1°
C23	C22	C27	C26	0.0°	0.1°
C23	C22	C27	CL1	179.8°	180.0°
C23	C22	C18	C17	69.8°	130.1°
C23	C22	C18	N1	109.7°	50.2°
C22	C23	C24	H24	179.9°	180.0°
C24	C23	C22	C27	0.0°	0.0°
C24	C23	C22	C18	179.9°	179.9°
C23	C24	C25	H24	180.0°	179.9°
C23	C24	C25	C26	0.1°	0.1°
C23	C24	C25	H25	179.9°	179.9°
C22	C27	C26	CL1	179.8°	180.0°
C22	C27	C26	C25	0.1°	0.1°
C27	C22	C18	C17	110.3°	49.9°
C27	C22	C18	N1	70.2°	129.8°
C27	C22	C23	H23	180.0°	179.8°
C22	C27	C26	H26	179.9°	180.0°
C18	C22	C27	C26	179.9°	180.0°
C18	C22	C27	CL1	0.3°	0.0°
C22	C18	C17	N1	179.5°	179.8°
C22	C18	N1	C15	179.7°	180.0°
C22	C18	C17	C16	179.5°	180.0°
C22	C18	N1	C19	0.1°	0.0°
C18	C22	C23	H23	0.1°	0.3°
C22	C18	C17	H17	0.5°	0.0°
N2	C21	N3	N4	162.8°	180.0°
C21	N2	C20	C19	179.4°	175.3°
C21	N2	C20	O3	0.3°	4.7°
C21	N2	C20	HN2	180.0°	180.0°
N2	C21	N3	HN3	180.0°	180.0°
N2	C21	N4	HN4	9.4°	5.0°
N2	C21	N4	HN4A	170.6°	174.9°
N3	C21	N2	C20	171.3°	5.2°
N3	C21	N2	HN2	8.7°	174.8°
N3	C21	N4	HN4	171.4°	175.0°
N3	C21	N4	HN4A	8.6°	5.1°
N4	C21	N2	C20	8.9°	174.7°
N4	C21	N2	HN2	171.1°	5.2°
N4	C21	N3	HN3	17.2°	0.1°
C21	N4	HN4	HN4A	180.0°	179.9°
C19	C20	O3	N2	179.7°	180.0°
C20	C19	N1	C18	86.8°	87.8°
C20	C19	N1	C15	92.9°	92.2°
C20	C19	N1	H19	120.0°	120.0°
C20	C19	N1	H19A	120.0°	120.0°
C20	C19	H19	H19A	120.0°	120.0°
C19	C20	N2	HN2	0.6°	4.7°
O3	C20	C19	N1	16.8°	0.0°
O3	C20	C19	H19	136.7°	120.0°
O3	C20	C19	H19A	103.2°	120.0°
O3	C20	N2	HN2	179.7°	175.3°
N2	C20	C19	N1	162.9°	180.0°
N2	C20	C19	H19	43.0°	60.0°
N2	C20	C19	H19A	77.1°	60.0°
C24	C25	C26	C27	0.1°	0.0°
C24	C25	C26	H25	180.0°	180.0°
C25	C24	C23	H23	179.9°	179.7°
C24	C25	C26	H26	179.9°	180.0°
C27	C26	C25	H26	180.0°	179.9°
C27	C26	C25	H25	179.9°	180.0°
C25	C26	C27	CL1	179.9°	180.0°
C26	C25	C24	H24	179.9°	179.9°
CL1	C27	C26	H26	0.1°	0.0°
C18	C17	C16	C15	0.2°	0.2°
C17	C18	N1	C15	0.1°	0.2°
C18	C17	C16	H17	180.0°	180.0°
C17	C18	N1	C19	179.6°	179.7°
C18	C17	C16	H16	179.8°	179.9°
C18	N1	C15	C12	180.0°	179.8°
C18	N1	C15	C16	0.2°	0.1°
C18	N1	C15	C19	179.7°	180.0°
N1	C18	C17	C16	0.0°	0.3°
N1	C18	C17	H17	180.0°	179.8°
C18	N1	C19	H19	153.2°	32.2°
C18	N1	C19	H19A	33.2°	152.2°
C11	C10	C9	H10	180.0°	179.7°
C10	C11	C12	H11	180.0°	179.9°
C10	C11	C12	C13	0.4°	0.1°
C10	C11	C12	C15	179.3°	180.0°
C11	C10	C9	C14	0.4°	0.0°
C11	C10	C9	O2	179.3°	180.0°
C10	C9	O2	C6	158.0°	175.0°
C9	C10	C11	C12	0.0°	0.1°
C10	C9	C14	C13	0.2°	0.0°
C10	C9	C14	O2	178.8°	180.0°
C9	C10	C11	H11	180.0°	180.0°
C10	C9	C14	H14	179.8°	180.0°
C6	C7	C8	H7	180.0°	179.8°
C7	C6	C5	O2	178.4°	179.9°
C7	C6	C5	C4	0.7°	0.1°
C6	C7	C8	C3	0.0°	0.0°
C7	C6	O2	C9	44.9°	76.0°
C7	C6	C5	H5	179.3°	180.0°
C6	C7	C8	H8	179.9°	180.0°
C8	C7	C6	C5	0.5°	0.1°
C8	C7	C6	O2	178.8°	180.0°
C7	C8	C3	C2	179.9°	180.0°
C7	C8	C3	C4	0.3°	0.0°
C7	C8	C3	H8	180.0°	179.9°
C6	C5	C4	H5	180.0°	179.9°
C6	C5	C4	C3	0.4°	0.0°
C5	C6	O2	C9	136.8°	103.9°
C5	C6	C7	H7	179.5°	179.7°
C6	C5	C4	H4	179.6°	180.0°
C4	C5	C6	O2	179.1°	180.0°
C5	C4	C3	C2	179.9°	180.0°
C5	C4	C3	H4	180.0°	180.0°
C5	C4	C3	C8	0.1°	0.0°
C6	O2	C9	C14	23.2°	5.1°
O2	C6	C7	H7	1.2°	0.2°
O2	C6	C5	H5	0.9°	0.1°
C1	C2	C3	O1	160.1°	180.0°
C1	C2	C3	C4	17.5°	180.0°
C1	C2	C3	C8	162.3°	0.0°
C2	C1	H1	H1A	120.0°	119.9°
C2	C1	H1	H1B	120.0°	120.0°
C2	C1	H1A	H1B	120.0°	120.0°
C2	C3	C4	C8	179.8°	180.0°
C3	C2	C1	H1	57.8°	60.1°
C3	C2	C1	H1A	177.7°	180.0°
C3	C2	C1	H1B	62.2°	60.0°
C2	C3	C4	H4	0.1°	0.0°
C2	C3	C8	H8	0.1°	0.0°
O1	C2	C3	C4	177.6°	0.0°
O1	C2	C3	C8	2.2°	180.0°
O1	C2	C1	H1	141.7°	120.0°
O1	C2	C1	H1A	21.7°	0.0°
O1	C2	C1	H1B	98.3°	120.0°
C3	C4	C5	H5	179.6°	180.0°
C4	C3	C8	H8	179.7°	180.0°
C3	C8	C7	H7	180.0°	179.8°
C8	C3	C4	H4	179.9°	180.0°
C11	C12	C13	C15	178.9°	179.9°
C11	C12	C13	C14	0.6°	0.0°
C11	C12	C15	C16	47.9°	22.9°
C11	C12	C15	N1	132.3°	157.1°
C12	C11	C10	H10	180.0°	179.7°
C11	C12	C13	H13	179.4°	180.0°
C12	C13	C14	H13	180.0°	180.0°
C12	C13	C14	C9	0.2°	0.0°
C13	C12	C15	C16	130.9°	157.2°
C13	C12	C15	N1	48.8°	22.8°
C13	C12	C11	H11	179.6°	180.0°
C12	C13	C14	H14	179.7°	180.0°
C15	C12	C13	C14	179.4°	180.0°
C12	C15	C16	N1	179.8°	180.0°
C12	C15	C16	C17	179.9°	180.0°
C12	C15	N1	C19	0.3°	0.2°
C15	C12	C11	H11	0.6°	0.1°
C15	C12	C13	H13	0.6°	0.0°
C12	C15	C16	H16	0.1°	0.0°
C13	C14	C9	H14	180.0°	180.0°
C13	C14	C9	O2	179.0°	180.0°
C14	C9	C10	H10	179.6°	179.7°
C9	C14	C13	H13	179.8°	180.0°
C15	C16	C17	H16	180.0°	180.0°
C16	C15	N1	C19	179.5°	179.8°
C15	C16	C17	H17	179.8°	179.8°
N1	C15	C16	C17	0.3°	0.0°
N1	C15	C16	H16	179.7°	180.0°
C15	N1	C19	H19	27.1°	147.7°
C15	N1	C19	H19A	147.1°	27.8°
O2	C9	C10	H10	0.7°	0.3°
O2	C9	C14	H14	1.0°	0.0°
N1	C19	H19	H19A	120.0°	120.0°
H23	C23	C24	H24	0.1°	0.2°
H24	C24	C25	H25	0.1°	0.0°
H26	C26	C25	H25	0.1°	0.1°
H10	C10	C11	H11	0.0°	0.3°
H7	C7	C8	H8	0.1°	0.2°
H5	C5	C4	H4	0.4°	0.0°
H1	C1	H1A	H1B	120.0°	120.1°
H13	C13	C14	H14	0.2°	0.0°
H16	C16	C17	H17	0.2°	0.1°

Definition date:	2008-01-24
Last modified:	2011-06-04
Release status:	REL
Processing site:	PDBJ
Derived from:	2ZDZ