MZC

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C6	C1	doub	1.38Å	1.39Å	Aromatic
C2	C1	sing	1.40Å	1.38Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C3	N1	sing	1.38Å	1.35Å	Aromatic
N1	C8	sing	1.37Å	1.36Å	Aromatic
C3	C2	doub	1.41Å	1.46Å	Aromatic
C2	C7	sing	1.47Å	1.46Å	Aromatic
C11	N2	sing	1.47Å	1.45Å
N2	C13	sing	1.35Å	1.33Å
N2	HN2	sing	0.97Å	1.00Å
C17	O2	doub	1.22Å	1.23Å
C4	C3	sing	1.39Å	1.37Å	Aromatic
C6	N3	sing	1.40Å	1.35Å
N3	C17	sing	1.35Å	1.32Å
N3	HN3	sing	0.97Å	1.00Å
C18	O3	sing	1.45Å	1.43Å
C17	O3	sing	1.35Å	1.46Å
C4	C5	doub	1.38Å	1.38Å	Aromatic
C4	H4	sing	1.08Å	1.08Å
C5	C6	sing	1.39Å	1.38Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C8	C7	doub	1.34Å	1.40Å	Aromatic
C7	C10	sing	1.51Å	1.50Å
C8	H8	sing	1.08Å	1.08Å
C11	C10	sing	1.53Å	1.52Å
C10	H10	sing	1.09Å	1.10Å
C10	H10A	sing	1.09Å	1.10Å
C11	H11	sing	1.09Å	1.10Å
C11	H11A	sing	1.09Å	1.10Å
C14	C13	sing	1.51Å	1.51Å
C13	OXT	doub	1.21Å	1.23Å
C14	H14	sing	1.09Å	1.10Å
C14	H14A	sing	1.09Å	1.10Å
C14	H14B	sing	1.09Å	1.10Å
C18	H18	sing	1.09Å	1.10Å
C18	H18A	sing	1.09Å	1.10Å
C18	H18B	sing	1.09Å	1.10Å
N1	HN1	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C6	C1	C2	117.6°	119.6°
C6	C1	H1	121.2°	120.2°
C1	C6	N3	121.8°	119.9°
C1	C6	C5	121.5°	120.2°
C2	C1	H1	121.2°	120.2°
C1	C2	C3	121.7°	120.0°
C1	C2	C7	133.2°	133.9°
C3	N1	C8	110.3°	109.9°
N1	C3	C2	108.2°	107.1°
N1	C3	C4	134.3°	133.3°
C3	N1	HN1	124.9°	125.1°
N1	C8	C7	110.5°	110.0°
N1	C8	H8	124.8°	125.1°
C8	N1	HN1	124.9°	125.0°
C3	C2	C7	105.1°	106.1°
C2	C3	C4	117.5°	119.6°
C2	C7	C8	106.0°	107.0°
C2	C7	C10	126.2°	126.5°
C11	N2	C13	122.8°	120.0°
C11	N2	HN2	118.6°	119.9°
N2	C11	C10	110.9°	109.5°
N2	C11	H11	109.0°	109.5°
N2	C11	H11A	109.0°	109.5°
C13	N2	HN2	118.6°	120.0°
N2	C13	C14	117.4°	120.0°
N2	C13	OXT	120.5°	120.0°
O2	C17	N3	122.9°	120.0°
O2	C17	O3	121.3°	120.0°
C3	C4	C5	120.3°	120.0°
C3	C4	H4	119.8°	120.0°
C6	N3	C17	120.5°	120.0°
C6	N3	HN3	119.7°	120.0°
N3	C6	C5	116.7°	119.9°
C17	N3	HN3	119.7°	120.0°
N3	C17	O3	115.7°	120.0°
C18	O3	C17	121.9°	117.0°
O3	C18	H18	109.5°	109.4°
O3	C18	H18A	109.5°	109.5°
O3	C18	H18B	109.5°	109.5°
C5	C4	H4	119.8°	120.0°
C4	C5	C6	121.3°	120.6°
C4	C5	H5	119.4°	119.7°
C6	C5	H5	119.4°	119.7°
C8	C7	C10	127.8°	126.5°
C7	C8	H8	124.8°	125.0°
C7	C10	C11	108.2°	109.5°
C7	C10	H10	109.9°	109.5°
C7	C10	H10A	109.9°	109.5°
C11	C10	H10	109.9°	109.4°
C11	C10	H10A	109.9°	109.5°
C10	C11	H11	109.0°	109.5°
C10	C11	H11A	109.0°	109.4°
H10	C10	H10A	109.0°	109.5°
H11	C11	H11A	109.9°	109.5°
C14	C13	OXT	122.1°	120.0°
C13	C14	H14	109.5°	109.5°
C13	C14	H14A	109.4°	109.5°
C13	C14	H14B	109.5°	109.5°
H14	C14	H14A	109.4°	109.5°
H14	C14	H14B	109.4°	109.5°
H14A	C14	H14B	109.5°	109.4°
H18	C18	H18A	109.5°	109.4°
H18	C18	H18B	109.5°	109.5°
H18A	C18	H18B	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C6	C1	C2	H1	180.0°	179.7°
C6	C1	C2	C3	0.5°	0.3°
C6	C1	C2	C7	179.9°	179.8°
C1	C6	N3	C5	179.7°	179.3°
C1	C6	N3	C17	0.3°	33.8°
C1	C6	N3	HN3	179.7°	146.2°
C1	C6	C5	C4	0.3°	0.6°
C1	C6	C5	H5	179.6°	179.7°
C1	C2	C3	N1	178.8°	180.0°
C1	C2	C3	C7	179.5°	180.0°
C1	C2	C3	C4	0.0°	0.0°
C2	C1	C6	N3	180.0°	179.9°
C2	C1	C6	C5	0.3°	0.6°
C1	C2	C7	C8	179.1°	180.0°
C1	C2	C7	C10	0.7°	0.0°
H1	C1	C2	C3	179.5°	180.0°
H1	C1	C2	C7	0.1°	0.1°
H1	C1	C6	N3	0.0°	0.4°
H1	C1	C6	C5	179.7°	179.7°
C3	N1	C8	HN1	180.0°	179.9°
N1	C3	C2	C4	178.8°	180.0°
N1	C3	C2	C7	0.8°	0.0°
N1	C3	C4	C5	179.0°	180.0°
N1	C3	C4	H4	1.0°	0.0°
C3	N1	C8	C7	0.7°	0.0°
C3	N1	C8	H8	179.3°	180.0°
C8	N1	C3	C2	0.9°	0.0°
N1	C8	C7	C2	0.2°	0.0°
C8	N1	C3	C4	179.4°	180.0°
N1	C8	C7	H8	180.0°	180.0°
N1	C8	C7	C10	179.7°	180.0°
C2	C3	C4	C5	0.6°	0.0°
C2	C3	C4	H4	179.3°	180.0°
C3	C2	C7	C8	0.4°	0.0°
C3	C2	C7	C10	179.8°	180.0°
C2	C3	N1	HN1	179.1°	179.9°
C7	C2	C3	C4	179.6°	180.0°
C2	C7	C8	C10	179.8°	180.0°
C2	C7	C8	H8	179.8°	179.9°
C2	C7	C10	C11	92.8°	85.0°
C2	C7	C10	H10	147.2°	155.0°
C2	C7	C10	H10A	27.2°	35.0°
C11	N2	C13	HN2	180.0°	179.9°
N2	C11	C10	C7	154.4°	180.0°
N2	C11	C10	H11	120.0°	120.0°
N2	C11	C10	H11A	120.0°	120.0°
N2	C11	C10	H10	34.4°	60.0°
N2	C11	C10	H10A	85.6°	60.0°
N2	C11	H11	H11A	119.4°	120.0°
C11	N2	C13	C14	3.8°	180.0°
C11	N2	C13	OXT	176.0°	0.0°
C13	N2	C11	C10	94.5°	180.0°
C13	N2	C11	H11	145.6°	60.0°
C13	N2	C11	H11A	25.6°	60.0°
N2	C13	C14	OXT	179.8°	180.0°
N2	C13	C14	H14	179.8°	0.0°
N2	C13	C14	H14A	59.8°	120.1°
N2	C13	C14	H14B	60.2°	120.0°
HN2	N2	C11	C10	85.5°	0.0°
HN2	N2	C11	H11	34.5°	120.0°
HN2	N2	C11	H11A	154.4°	120.0°
HN2	N2	C13	C14	176.2°	0.0°
HN2	N2	C13	OXT	3.9°	180.0°
O2	C17	N3	C6	1.1°	5.3°
O2	C17	N3	O3	179.4°	180.0°
O2	C17	N3	HN3	178.9°	174.6°
O2	C17	O3	C18	68.1°	0.0°
C3	C4	C5	H4	180.0°	180.0°
C3	C4	C5	C6	0.8°	0.3°
C3	C4	C5	H5	179.1°	180.0°
C4	C3	N1	HN1	0.6°	0.1°
C6	N3	C17	HN3	180.0°	179.9°
C6	N3	C17	O3	179.5°	174.7°
N3	C6	C5	C4	179.3°	180.0°
N3	C6	C5	H5	0.7°	0.4°
N3	C17	O3	C18	112.5°	180.0°
C17	N3	C6	C5	179.4°	146.8°
HN3	N3	C17	O3	0.5°	5.4°
HN3	N3	C6	C5	0.7°	33.1°
O3	C18	H18	H18A	120.0°	120.0°
O3	C18	H18	H18B	120.0°	120.0°
O3	C18	H18A	H18B	120.0°	120.0°
C17	O3	C18	H18	180.0°	60.0°
C17	O3	C18	H18A	60.0°	60.0°
C17	O3	C18	H18B	60.0°	180.0°
C4	C5	C6	H5	180.0°	179.7°
H4	C4	C5	C6	179.1°	179.7°
H4	C4	C5	H5	0.9°	0.0°
C8	C7	C10	C11	87.4°	95.0°
C8	C7	C10	H10	32.6°	25.0°
C8	C7	C10	H10A	152.6°	145.0°
C7	C8	N1	HN1	179.3°	179.9°
C10	C7	C8	H8	0.3°	0.1°
C7	C10	C11	H10	120.0°	120.0°
C7	C10	C11	H10A	120.0°	120.0°
C7	C10	H10	H10A	120.6°	120.0°
C7	C10	C11	H11	34.4°	60.0°
C7	C10	C11	H11A	85.6°	60.0°
H8	C8	N1	HN1	0.7°	0.0°
C11	C10	H10	H10A	120.5°	120.0°
C10	C11	H11	H11A	119.4°	120.0°
H10	C10	C11	H11	85.6°	60.0°
H10	C10	C11	H11A	154.4°	NaN°
H10A	C10	C11	H11	154.4°	NaN°
H10A	C10	C11	H11A	34.4°	60.0°
C13	C14	H14	H14A	120.0°	120.0°
C13	C14	H14	H14B	120.0°	120.0°
C13	C14	H14A	H14B	120.0°	119.9°
OXT	C13	C14	H14	0.0°	180.0°
OXT	C13	C14	H14A	120.0°	60.0°
OXT	C13	C14	H14B	120.0°	59.9°
H14	C14	H14A	H14B	120.0°	120.0°
H18	C18	H18A	H18B	120.0°	120.0°

Definition date:	2010-09-17
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	3OVM