2BZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N3	C4	sing	1.34Å	1.41Å	Aromatic
N3	C2	doub	1.32Å	1.35Å	Aromatic
C4	C5	doub	1.46Å	1.44Å	Aromatic
C4	C9	sing	1.41Å	1.45Å	Aromatic
C5	C6	sing	1.46Å	1.56Å	Aromatic
C5	C12	sing	1.40Å	1.45Å	Aromatic
C6	C7	sing	1.48Å	1.53Å	Aromatic
C6	N8	doub	1.33Å	1.31Å	Aromatic
C7	C20	doub	1.40Å	1.44Å	Aromatic
C7	C24	sing	1.40Å	1.43Å	Aromatic
C10	C9	doub	1.36Å	1.42Å	Aromatic
C10	C11	sing	1.39Å	1.42Å	Aromatic
C10	H10	sing	1.08Å	1.08Å
C13	C1	doub	1.40Å	1.38Å	Aromatic
C13	C14	sing	1.51Å	1.48Å
C13	N15	sing	1.32Å	1.37Å	Aromatic
C20	C21	sing	1.38Å	1.42Å	Aromatic
C20	H20	sing	1.08Å	1.08Å
C21	C22	doub	1.38Å	1.42Å	Aromatic
C21	H21	sing	1.08Å	1.08Å
C22	C23	sing	1.38Å	1.42Å	Aromatic
C22	H22	sing	1.08Å	1.08Å
C24	C23	doub	1.38Å	1.43Å	Aromatic
C24	CL25	sing	1.74Å	1.73Å
C1	C2	sing	1.48Å	1.41Å	Aromatic
C1	N8	sing	1.33Å	1.40Å	Aromatic
C2	N16	sing	1.34Å	1.34Å	Aromatic
C9	H9	sing	1.08Å	1.08Å
C11	C12	doub	1.37Å	1.42Å	Aromatic
C11	N17	sing	1.48Å	1.49Å
C12	H12	sing	1.08Å	1.08Å
C14	H14	sing	1.09Å	1.10Å
C14	H14A	sing	1.09Å	1.10Å
C14	H14B	sing	1.09Å	1.10Å
N15	N16	doub	1.28Å	1.34Å	Aromatic
N17	O18	sing	1.22Å	1.24Å
N17	O19	doub	1.22Å	1.25Å
C23	H23	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	N3	C2	132.0°	127.7°
N3	C4	C5	126.3°	128.4°
N3	C4	C9	115.0°	112.8°
N3	C2	C1	126.6°	129.6°
N3	C2	N16	122.4°	125.3°
C5	C4	C9	118.7°	118.9°
C4	C5	C6	124.4°	128.4°
C4	C5	C12	117.3°	119.0°
C4	C9	C10	122.7°	119.4°
C4	C9	H9	118.6°	120.3°
C6	C5	C12	118.3°	112.6°
C5	C6	C7	119.1°	116.5°
C5	C6	N8	131.1°	127.0°
C5	C12	C11	122.9°	119.5°
C5	C12	H12	118.5°	120.2°
C7	C6	N8	109.8°	116.5°
C6	C7	C20	119.0°	120.2°
C6	C7	C24	121.3°	120.1°
C6	N8	C1	125.7°	128.3°
C20	C7	C24	119.8°	119.7°
C7	C20	C21	119.6°	119.9°
C7	C20	H20	120.2°	120.1°
C7	C24	C23	119.7°	119.8°
C7	C24	CL25	122.2°	120.1°
C9	C10	C11	118.8°	121.6°
C9	C10	H10	120.6°	119.2°
C10	C9	H9	118.7°	120.3°
C11	C10	H10	120.6°	119.2°
C10	C11	C12	119.6°	121.6°
C10	C11	N17	120.9°	119.2°
C1	C13	C14	132.4°	126.3°
C1	C13	N15	104.7°	107.3°
C13	C1	C2	106.2°	104.0°
C13	C1	N8	120.7°	125.4°
C14	C13	N15	122.9°	126.4°
C13	C14	H14	109.5°	109.4°
C13	C14	H14A	109.5°	109.5°
C13	C14	H14B	109.4°	109.4°
C13	N15	N16	114.1°	113.1°
C21	C20	H20	120.2°	120.1°
C20	C21	C22	120.3°	120.2°
C20	C21	H21	119.9°	119.9°
C22	C21	H21	119.9°	119.9°
C21	C22	C23	120.4°	120.3°
C21	C22	H22	119.8°	119.9°
C23	C22	H22	119.8°	119.8°
C22	C23	C24	120.2°	120.1°
C22	C23	H23	119.9°	120.0°
C23	C24	CL25	118.0°	120.1°
C24	C23	H23	119.9°	119.9°
C2	C1	N8	133.1°	130.6°
C1	C2	N16	111.0°	105.2°
C2	N16	N15	104.1°	110.5°
C12	C11	N17	119.5°	119.2°
C11	C12	H12	118.5°	120.2°
C11	N17	O18	117.9°	120.0°
C11	N17	O19	118.4°	120.0°
H14	C14	H14A	109.5°	109.5°
H14	C14	H14B	109.4°	109.5°
H14A	C14	H14B	109.5°	109.5°
O18	N17	O19	123.6°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N3	C4	C5	C9	179.8°	180.0°
N3	C4	C5	C6	0.1°	0.0°
N3	C4	C5	C12	179.7°	180.0°
N3	C4	C9	C10	179.7°	180.0°
C4	N3	C2	C1	8.8°	0.1°
C4	N3	C2	N16	171.0°	180.0°
N3	C4	C9	H9	0.3°	0.0°
C2	N3	C4	C5	8.5°	0.0°
C2	N3	C4	C9	171.3°	180.0°
N3	C2	C1	C13	179.7°	180.0°
N3	C2	C1	N16	179.8°	180.0°
N3	C2	C1	N8	0.2°	0.0°
N3	C2	N16	N15	179.8°	180.0°
C4	C5	C6	C12	179.6°	180.0°
C4	C5	C6	C7	176.5°	179.9°
C4	C5	C6	N8	4.6°	0.1°
C5	C4	C9	C10	0.5°	0.0°
C5	C4	C9	H9	179.5°	180.0°
C4	C5	C12	C11	0.3°	0.0°
C4	C5	C12	H12	179.7°	179.9°
C9	C4	C5	C6	179.9°	180.0°
C9	C4	C5	C12	0.5°	0.0°
C4	C9	C10	H9	180.0°	180.0°
C4	C9	C10	C11	0.1°	0.0°
C4	C9	C10	H10	179.9°	179.9°
C5	C6	C7	N8	179.1°	180.0°
C5	C6	C7	C20	70.8°	113.3°
C5	C6	C7	C24	109.3°	66.9°
C5	C6	N8	C1	0.2°	0.1°
C6	C5	C12	C11	179.9°	180.0°
C6	C5	C12	H12	0.1°	0.1°
C12	C5	C6	C7	3.1°	0.0°
C12	C5	C6	N8	175.8°	180.0°
C5	C12	C11	C10	0.1°	0.1°
C5	C12	C11	H12	180.0°	179.9°
C5	C12	C11	N17	179.4°	180.0°
C6	C7	C20	C24	180.0°	179.7°
C6	C7	C20	C21	179.7°	180.0°
C6	C7	C20	H20	0.3°	0.1°
C6	C7	C24	C23	179.7°	179.8°
C6	C7	C24	CL25	0.4°	0.0°
C7	C6	N8	C1	179.2°	179.9°
N8	C6	C7	C20	110.1°	66.7°
N8	C6	C7	C24	69.8°	113.1°
C6	N8	C1	C13	175.2°	179.9°
C6	N8	C1	C2	4.7°	0.0°
C7	C20	C21	H20	180.0°	180.0°
C7	C20	C21	C22	0.2°	0.0°
C7	C20	C21	H21	179.8°	180.0°
C20	C7	C24	C23	0.3°	0.5°
C20	C7	C24	CL25	179.5°	179.8°
C24	C7	C20	C21	0.4°	0.2°
C24	C7	C20	H20	179.6°	179.8°
C7	C24	C23	C22	0.1°	0.5°
C7	C24	C23	CL25	179.9°	179.7°
C7	C24	C23	H23	179.9°	179.7°
C9	C10	C11	H10	180.0°	179.9°
C9	C10	C11	C12	0.1°	0.1°
C9	C10	C11	N17	179.3°	180.0°
C11	C10	C9	H9	179.9°	180.0°
C10	C11	C12	N17	179.5°	179.9°
C10	C11	C12	H12	179.9°	179.9°
C10	C11	N17	O18	177.9°	0.1°
C10	C11	N17	O19	3.5°	180.0°
H10	C10	C9	H9	0.1°	0.1°
H10	C10	C11	C12	179.9°	180.0°
H10	C10	C11	N17	0.7°	0.1°
C1	C13	C14	N15	179.8°	180.0°
C13	C1	C2	N8	180.0°	180.0°
C13	C1	C2	N16	0.0°	0.0°
C1	C13	C14	H14	179.8°	90.0°
C1	C13	C14	H14A	60.2°	150.0°
C1	C13	C14	H14B	59.8°	30.0°
C1	C13	N15	N16	0.0°	0.0°
C14	C13	C1	C2	179.8°	180.0°
C14	C13	C1	N8	0.1°	0.0°
C13	C14	H14	H14A	120.0°	120.0°
C13	C14	H14	H14B	120.0°	119.9°
C13	C14	H14A	H14B	120.0°	120.0°
C14	C13	N15	N16	179.9°	180.0°
N15	C13	C1	C2	0.0°	0.0°
N15	C13	C1	N8	180.0°	180.0°
C13	N15	N16	C2	0.0°	0.0°
N15	C13	C14	H14	0.0°	90.0°
N15	C13	C14	H14A	120.0°	30.0°
N15	C13	C14	H14B	120.0°	150.0°
C20	C21	C22	H21	180.0°	179.9°
C20	C21	C22	C23	0.1°	0.0°
C20	C21	C22	H22	179.9°	179.9°
H20	C20	C21	C22	179.8°	179.9°
H20	C20	C21	H21	0.2°	0.0°
C21	C22	C23	H22	180.0°	180.0°
C21	C22	C23	C24	0.1°	0.3°
C21	C22	C23	H23	179.9°	180.0°
H21	C21	C22	C23	179.9°	179.9°
H21	C21	C22	H22	0.1°	0.0°
C22	C23	C24	H23	180.0°	179.8°
C22	C23	C24	CL25	179.8°	179.7°
H22	C22	C23	C24	179.9°	179.8°
H22	C22	C23	H23	0.1°	0.0°
CL25	C24	C23	H23	0.2°	0.0°
C1	C2	N16	N15	0.0°	0.0°
N8	C1	C2	N16	180.0°	180.0°
C12	C11	N17	O18	2.6°	180.0°
C12	C11	N17	O19	176.0°	0.0°
N17	C11	C12	H12	0.6°	0.0°
C11	N17	O18	O19	178.5°	180.0°
H14	C14	H14A	H14B	120.0°	120.0°

Definition date:	2010-01-19
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3LE6