LZK

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N20	C19	sing	1.35Å	1.35Å
C19	N17	sing	1.35Å	1.35Å	Aromatic
C19	N18	doub	1.36Å	1.36Å	Aromatic
N17	C15	doub	1.35Å	1.35Å	Aromatic
N18	C16	sing	1.34Å	1.34Å	Aromatic
C16	C11	doub	1.39Å	1.39Å	Aromatic
C11	C15	sing	1.39Å	1.39Å	Aromatic
C11	C5	sing	1.39Å	1.39Å	Aromatic
C15	N12	sing	1.35Å	1.35Å	Aromatic
N12	C6	doub	1.35Å	1.35Å	Aromatic
C6	N13	sing	1.36Å	1.36Å
C6	C2	sing	1.40Å	1.40Å	Aromatic
C5	C2	doub	1.40Å	1.40Å	Aromatic
C2	C1	sing	1.49Å	1.49Å	Aromatic
C1	C4	sing	1.39Å	1.39Å	Aromatic
C1	C3	doub	1.39Å	1.39Å	Aromatic
C4	O1	sing	1.37Å	1.37Å
C4	C9	doub	1.40Å	1.40Å	Aromatic
O1	C45	sing	1.42Å	1.42Å
C3	O7	sing	1.38Å	1.38Å
C3	C7	sing	1.40Å	1.40Å	Aromatic
O7	C43	sing	1.43Å	1.43Å
C7	C14	doub	1.40Å	1.40Å	Aromatic
C14	C9	sing	1.39Å	1.39Å	Aromatic
N20	H201	sing	1.00Å	1.00Å
N20	H202	sing	1.00Å	1.00Å
C16	H16	sing	1.08Å	1.08Å
C5	H5	sing	1.08Å	1.08Å
N13	H131	sing	1.00Å	1.00Å
N13	H132	sing	1.00Å	1.00Å
C9	H9	sing	1.08Å	1.08Å
C45	H451	sing	1.10Å	1.10Å
C45	H452	sing	1.10Å	1.10Å
C45	H453	sing	1.10Å	1.10Å
C7	H7	sing	1.08Å	1.08Å
C43	H431	sing	1.10Å	1.10Å
C43	H432	sing	1.10Å	1.10Å
C43	H433	sing	1.10Å	1.10Å
C14	H14	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N20	C19	N17	118.8°	118.8°
N20	C19	N18	120.7°	120.7°
C19	N20	H201	109.5°	109.5°
C19	N20	H202	109.5°	109.5°
N17	C19	N18	120.5°	120.5°
C19	N17	C15	120.5°	120.5°
C19	N18	C16	121.0°	121.0°
N17	C15	C11	119.7°	119.7°
N17	C15	N12	119.7°	119.7°
N18	C16	C11	119.2°	119.2°
N18	C16	H16	120.4°	120.4°
C16	C11	C15	119.0°	119.0°
C16	C11	C5	121.5°	121.5°
C11	C16	H16	120.4°	120.4°
C15	C11	C5	119.4°	119.4°
C11	C15	N12	120.6°	120.6°
C11	C5	C2	119.0°	119.0°
C11	C5	H5	120.5°	120.5°
C15	N12	C6	121.2°	121.2°
N12	C6	N13	118.3°	118.3°
N12	C6	C2	120.1°	120.1°
N13	C6	C2	121.5°	121.5°
C6	N13	H131	109.5°	109.5°
C6	N13	H132	109.4°	109.4°
C6	C2	C5	119.7°	119.7°
C6	C2	C1	120.6°	120.6°
C5	C2	C1	119.7°	119.7°
C2	C5	H5	120.5°	120.5°
C2	C1	C4	120.5°	120.5°
C2	C1	C3	119.1°	119.1°
C4	C1	C3	120.4°	120.4°
C1	C4	O1	119.2°	119.2°
C1	C4	C9	120.0°	120.0°
C1	C3	O7	119.2°	119.2°
C1	C3	C7	119.4°	119.4°
O1	C4	C9	120.7°	120.7°
C4	O1	C45	122.1°	122.1°
C4	C9	C14	119.8°	119.8°
C4	C9	H9	120.1°	120.1°
O1	C45	H451	109.5°	109.5°
O1	C45	H452	109.5°	109.5°
O1	C45	H453	109.4°	109.4°
O7	C3	C7	121.4°	121.4°
C3	O7	C43	123.4°	123.4°
C3	C7	C14	120.3°	120.3°
C3	C7	H7	119.9°	119.9°
O7	C43	H431	109.5°	109.5°
O7	C43	H432	109.5°	109.5°
O7	C43	H433	109.4°	109.4°
C7	C14	C9	120.1°	120.1°
C14	C7	H7	119.9°	119.9°
C7	C14	H14	119.9°	119.9°
C14	C9	H9	120.1°	120.1°
C9	C14	H14	119.9°	119.9°
H201	N20	H202	109.4°	109.4°
H131	N13	H132	109.5°	109.5°
H451	C45	H452	109.5°	109.5°
H451	C45	H453	109.5°	109.5°
H452	C45	H453	109.5°	109.5°
H431	C43	H432	109.5°	109.5°
H431	C43	H433	109.4°	109.4°
H432	C43	H433	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N20	C19	N17	N18	179.7°	179.7°
N20	C19	N17	C15	179.5°	179.5°
N20	C19	N18	C16	179.6°	179.6°
C19	N20	H201	H202	120.0°	120.0°
N17	C19	N18	C16	0.1°	0.1°
C19	N17	C15	C11	0.2°	0.2°
C19	N17	C15	N12	179.8°	179.8°
N17	C19	N20	H201	57.5°	57.5°
N17	C19	N20	H202	62.4°	62.4°
N18	C19	N17	C15	0.2°	0.2°
C19	N18	C16	C11	0.1°	0.1°
N18	C19	N20	H201	122.8°	122.8°
N18	C19	N20	H202	117.3°	117.3°
C19	N18	C16	H16	180.0°	180.0°
N17	C15	C11	C16	0.2°	0.2°
N17	C15	C11	N12	179.9°	179.9°
N17	C15	C11	C5	179.9°	179.9°
N17	C15	N12	C6	179.7°	179.7°
N18	C16	C11	H16	180.0°	180.0°
N18	C16	C11	C15	0.1°	0.1°
N18	C16	C11	C5	179.8°	179.8°
C16	C11	C15	C5	179.6°	179.6°
C16	C11	C15	N12	179.9°	179.9°
C16	C11	C5	C2	179.9°	179.9°
C16	C11	C5	H5	0.2°	0.2°
C11	C15	N12	C6	0.2°	0.2°
C15	C11	C5	C2	0.2°	0.2°
C15	C11	C16	H16	179.9°	179.9°
C15	C11	C5	H5	179.8°	179.8°
C5	C11	C15	N12	0.2°	0.2°
C11	C5	C2	C6	0.2°	0.2°
C11	C5	C2	H5	180.0°	180.0°
C11	C5	C2	C1	179.2°	179.2°
C5	C11	C16	H16	0.2°	0.2°
C15	N12	C6	N13	179.9°	179.9°
C15	N12	C6	C2	0.6°	0.6°
N12	C6	N13	C2	179.5°	179.5°
N12	C6	C2	C5	0.6°	0.6°
N12	C6	C2	C1	179.6°	179.6°
N12	C6	N13	H131	80.7°	80.7°
N12	C6	N13	H132	159.2°	159.2°
N13	C6	C2	C5	179.9°	179.9°
N13	C6	C2	C1	0.9°	0.9°
C6	N13	H131	H132	120.0°	120.0°
C6	C2	C5	C1	179.0°	179.0°
C6	C2	C1	C4	63.5°	63.5°
C6	C2	C1	C3	116.1°	116.1°
C6	C2	C5	H5	179.8°	179.8°
C2	C6	N13	H131	99.7°	99.7°
C2	C6	N13	H132	20.3°	20.3°
C5	C2	C1	C4	117.4°	117.4°
C5	C2	C1	C3	62.9°	62.9°
C2	C1	C4	C3	179.7°	179.7°
C2	C1	C4	O1	0.7°	0.7°
C2	C1	C4	C9	180.0°	180.0°
C2	C1	C3	O7	0.2°	0.2°
C2	C1	C3	C7	180.0°	180.0°
C1	C2	C5	H5	0.8°	0.8°
C1	C4	O1	C9	179.3°	179.3°
C1	C4	O1	C45	155.7°	155.7°
C4	C1	C3	O7	179.9°	179.9°
C4	C1	C3	C7	0.4°	0.4°
C1	C4	C9	C14	0.2°	0.2°
C1	C4	C9	H9	179.8°	179.8°
C3	C1	C4	O1	179.6°	179.6°
C3	C1	C4	C9	0.4°	0.4°
C1	C3	O7	C7	179.8°	179.8°
C1	C3	O7	C43	167.8°	167.8°
C1	C3	C7	C14	0.2°	0.2°
C1	C3	C7	H7	179.8°	179.8°
O1	C4	C9	C14	179.5°	179.5°
O1	C4	C9	H9	0.5°	0.5°
C4	O1	C45	H451	65.0°	65.0°
C4	O1	C45	H452	55.0°	55.0°
C4	O1	C45	H453	175.0°	175.0°
C9	C4	O1	C45	25.0°	25.0°
C4	C9	C14	C7	0.1°	0.1°
C4	C9	C14	H9	180.0°	180.0°
C4	C9	C14	H14	179.9°	179.9°
O1	C45	H451	H452	120.0°	120.0°
O1	C45	H451	H453	120.0°	120.0°
O1	C45	H452	H453	120.0°	120.0°
O7	C3	C7	C14	180.0°	180.0°
O7	C3	C7	H7	0.0°	0.0°
C3	O7	C43	H431	84.5°	84.5°
C3	O7	C43	H432	35.5°	35.5°
C3	O7	C43	H433	155.5°	155.5°
C7	C3	O7	C43	11.9°	11.9°
C3	C7	C14	H7	180.0°	180.0°
C3	C7	C14	C9	0.1°	0.1°
C3	C7	C14	H14	179.9°	179.9°
O7	C43	H431	H432	120.0°	120.0°
O7	C43	H431	H433	120.0°	120.0°
O7	C43	H432	H433	120.0°	120.0°
C7	C14	C9	H14	180.0°	180.0°
C7	C14	C9	H9	179.9°	179.9°
C9	C14	C7	H7	179.9°	179.9°
H9	C9	C14	H14	0.1°	0.1°
H451	C45	H452	H453	120.0°	120.0°
H7	C7	C14	H14	0.1°	0.1°
H431	C43	H432	H433	120.0°	120.0°

Definition date:	2008-10-02
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	2V59