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Summary Geometry Related PDB entries

DPZ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	C2	sing	1.35Å	1.35Å	Aromatic
N1	N12	sing	1.40Å	1.45Å	Aromatic
N1	H1	sing	0.97Å	1.02Å
C2	O3	doub	1.22Å	1.22Å
C2	C4	sing	1.47Å	1.53Å	Aromatic
C4	C5	doub	1.40Å	1.42Å	Aromatic
C4	C9	sing	1.41Å	1.41Å	Aromatic
C5	C6	sing	1.39Å	1.41Å	Aromatic
C5	N14	sing	1.39Å	1.36Å
C6	C7	doub	1.39Å	1.41Å	Aromatic
C6	H6	sing	1.08Å	1.10Å
C7	C8	sing	1.40Å	1.40Å	Aromatic
C7	N13	sing	1.39Å	1.36Å
C8	C9	doub	1.38Å	1.41Å	Aromatic
C8	H8	sing	1.08Å	1.10Å
C9	C10	sing	1.48Å	1.52Å	Aromatic
C10	O11	doub	1.22Å	1.22Å
C10	N12	sing	1.35Å	1.35Å	Aromatic
N12	H12	sing	0.97Å	1.02Å
N13	H131	sing	0.97Å	1.02Å
N13	H132	sing	0.97Å	1.02Å
N14	H141	sing	0.97Å	1.02Å
N14	H142	sing	0.97Å	1.02Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C2	N1	N12	121.8°	122.0°
C2	N1	H1	115.4°	119.0°
N1	C2	O3	120.5°	120.2°
N1	C2	C4	119.7°	119.6°
N12	N1	H1	122.8°	119.0°
N1	N12	C10	121.8°	121.9°
N1	N12	H12	122.9°	119.0°
O3	C2	C4	119.8°	120.2°
C2	C4	C5	123.2°	121.5°
C2	C4	C9	117.7°	118.6°
C5	C4	C9	119.2°	119.9°
C4	C5	C6	119.4°	119.5°
C4	C5	N14	121.7°	120.3°
C4	C9	C8	120.4°	120.0°
C4	C9	C10	119.7°	118.6°
C6	C5	N14	118.9°	120.2°
C5	C6	C7	121.4°	120.4°
C5	C6	H6	119.4°	119.8°
C5	N14	H141	121.7°	120.0°
C5	N14	H142	107.9°	120.0°
C7	C6	H6	119.2°	119.8°
C6	C7	C8	118.7°	120.5°
C6	C7	N13	120.8°	119.8°
C8	C7	N13	120.5°	119.7°
C7	C8	C9	120.9°	119.7°
C7	C8	H8	119.3°	120.1°
C7	N13	H131	120.8°	120.0°
C7	N13	H132	108.1°	120.1°
C9	C8	H8	119.7°	120.1°
C8	C9	C10	120.0°	121.5°
C9	C10	O11	118.9°	120.4°
C9	C10	N12	119.4°	119.4°
O11	C10	N12	121.7°	120.3°
C10	N12	H12	115.3°	119.1°
H131	N13	H132	108.2°	119.9°
H141	N14	H142	107.8°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C2	N1	N12	H1	180.0°	179.9°
N1	C2	O3	C4	179.7°	180.0°
N1	C2	C4	C5	179.4°	180.0°
N1	C2	C4	C9	0.2°	0.0°
C2	N1	N12	C10	0.1°	0.1°
C2	N1	N12	H12	179.8°	180.0°
N12	N1	C2	O3	180.0°	180.0°
N12	N1	C2	C4	0.3°	0.0°
N1	N12	C10	C9	0.5°	0.1°
N1	N12	C10	O11	179.6°	180.0°
N1	N12	C10	H12	180.0°	180.0°
H1	N1	C2	O3	0.1°	0.0°
H1	N1	C2	C4	179.8°	179.9°
H1	N1	N12	C10	179.9°	180.0°
H1	N1	N12	H12	0.1°	0.0°
O3	C2	C4	C5	0.3°	0.0°
O3	C2	C4	C9	179.5°	180.0°
C2	C4	C5	C9	179.2°	180.0°
C2	C4	C5	C6	179.8°	180.0°
C2	C4	C5	N14	0.6°	0.0°
C2	C4	C9	C8	180.0°	179.8°
C2	C4	C9	C10	0.8°	0.0°
C4	C5	C6	N14	179.7°	180.0°
C4	C5	C6	C7	0.1°	0.0°
C4	C5	C6	H6	180.0°	180.0°
C5	C4	C9	C8	0.8°	0.2°
C5	C4	C9	C10	180.0°	180.0°
C4	C5	N14	H141	180.0°	162.0°
C4	C5	N14	H142	54.8°	18.0°
C9	C4	C5	C6	0.6°	0.0°
C9	C4	C5	N14	179.7°	180.0°
C4	C9	C8	C7	0.3°	0.5°
C4	C9	C8	C10	179.1°	179.8°
C4	C9	C8	H8	179.7°	179.7°
C4	C9	C10	O11	179.9°	180.0°
C4	C9	C10	N12	1.0°	0.0°
C5	C6	C7	H6	180.0°	180.0°
C5	C6	C7	C8	0.6°	0.2°
C5	C6	C7	N13	179.6°	180.0°
C6	C5	N14	H141	0.3°	18.0°
C6	C5	N14	H142	125.6°	161.9°
N14	C5	C6	C7	179.6°	180.0°
N14	C5	C6	H6	0.4°	0.0°
C5	N14	H141	H142	125.3°	180.0°
C6	C7	C8	N13	179.0°	179.8°
C6	C7	C8	C9	0.4°	0.5°
C6	C7	C8	H8	179.6°	179.7°
C6	C7	N13	H131	180.0°	0.1°
C6	C7	N13	H132	54.7°	179.8°
H6	C6	C7	C8	179.5°	179.8°
H6	C6	C7	N13	0.5°	0.0°
C7	C8	C9	H8	180.0°	179.8°
C7	C8	C9	C10	179.4°	179.7°
C8	C7	N13	H131	1.0°	179.7°
C8	C7	N13	H132	124.3°	0.4°
N13	C7	C8	C9	179.4°	179.8°
N13	C7	C8	H8	0.6°	0.1°
C7	N13	H131	H132	125.3°	179.9°
C8	C9	C10	O11	0.7°	0.2°
C8	C9	C10	N12	179.9°	179.8°
H8	C8	C9	C10	0.5°	0.1°
C9	C10	O11	N12	179.1°	180.0°
C9	C10	N12	H12	179.5°	180.0°
O11	C10	N12	H12	0.4°	0.0°

246704

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