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Summary Geometry Related PDB entries

L22

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N13	C10	sing	1.38Å	1.35Å
C10	S9	sing	1.76Å	1.73Å	Aromatic
C10	N6	doub	1.30Å	1.35Å	Aromatic
S9	C5	sing	1.76Å	1.73Å	Aromatic
C5	C2	doub	1.35Å	1.39Å	Aromatic
N6	C2	sing	1.33Å	1.37Å	Aromatic
C2	C1	sing	1.48Å	1.49Å	Aromatic
C1	C4	sing	1.40Å	1.39Å	Aromatic
C1	N3	doub	1.33Å	1.35Å	Aromatic
C4	C8	doub	1.38Å	1.38Å	Aromatic
C8	N11	sing	1.33Å	1.34Å	Aromatic
N11	C7	doub	1.33Å	1.35Å	Aromatic
C7	N3	sing	1.32Å	1.35Å	Aromatic
C7	N12	sing	1.38Å	1.34Å
N13	H131	sing	0.97Å	1.00Å
N13	H132	sing	0.97Å	1.00Å
C5	H5	sing	1.08Å	1.08Å
C4	H4	sing	1.08Å	1.08Å
C8	H8	sing	1.08Å	1.08Å
N12	H121	sing	0.97Å	1.00Å
N12	H122	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N13	C10	S9	122.8°	125.2°
N13	C10	N6	124.5°	125.2°
C10	N13	H131	109.5°	120.1°
C10	N13	H132	109.5°	120.0°
S9	C10	N6	112.7°	109.5°
C10	S9	C5	90.7°	90.1°
C10	N6	C2	112.0°	116.8°
S9	C5	C2	109.4°	108.3°
S9	C5	H5	125.3°	125.8°
C5	C2	N6	115.1°	115.3°
C5	C2	C1	123.5°	122.4°
C2	C5	H5	125.3°	125.9°
N6	C2	C1	121.4°	122.4°
C2	C1	C4	121.5°	120.5°
C2	C1	N3	118.8°	120.5°
C4	C1	N3	119.7°	119.0°
C1	C4	C8	118.7°	118.4°
C1	C4	H4	120.6°	120.8°
C1	N3	C7	120.1°	120.6°
C4	C8	N11	119.9°	119.3°
C8	C4	H4	120.7°	120.8°
C4	C8	H8	120.0°	120.4°
C8	N11	C7	120.9°	121.0°
N11	C8	H8	120.1°	120.3°
N11	C7	N3	120.6°	121.7°
N11	C7	N12	119.8°	119.1°
N3	C7	N12	119.6°	119.2°
C7	N12	H121	109.5°	120.0°
C7	N12	H122	109.5°	120.0°
H131	N13	H132	109.5°	119.9°
H121	N12	H122	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N13	C10	S9	N6	179.8°	179.7°
N13	C10	S9	C5	179.9°	180.0°
N13	C10	N6	C2	179.8°	179.8°
C10	N13	H131	H132	120.0°	179.8°
C10	S9	C5	C2	0.1°	0.0°
S9	C10	N6	C2	0.0°	0.5°
S9	C10	N13	H131	95.5°	0.0°
S9	C10	N13	H132	24.5°	179.8°
C10	S9	C5	H5	180.0°	179.9°
N6	C10	S9	C5	0.0°	0.3°
C10	N6	C2	C5	0.1°	0.6°
C10	N6	C2	C1	179.7°	179.7°
N6	C10	N13	H131	84.3°	179.7°
N6	C10	N13	H132	155.7°	0.5°
S9	C5	C2	H5	180.0°	179.9°
S9	C5	C2	N6	0.1°	0.3°
S9	C5	C2	C1	179.7°	180.0°
C5	C2	N6	C1	179.7°	179.7°
C5	C2	C1	C4	4.3°	179.9°
C5	C2	C1	N3	176.5°	0.3°
N6	C2	C1	C4	175.4°	0.3°
N6	C2	C1	N3	3.8°	179.9°
N6	C2	C5	H5	179.9°	179.8°
C2	C1	C4	N3	179.2°	179.8°
C2	C1	C4	C8	179.9°	180.0°
C2	C1	N3	C7	179.4°	179.7°
C1	C2	C5	H5	0.3°	0.1°
C2	C1	C4	H4	0.1°	0.0°
C1	C4	C8	H4	180.0°	180.0°
C1	C4	C8	N11	0.8°	0.0°
C4	C1	N3	C7	0.2°	0.4°
C1	C4	C8	H8	179.2°	179.9°
N3	C1	C4	C8	0.7°	0.2°
C1	N3	C7	N11	0.2°	0.5°
C1	N3	C7	N12	179.7°	179.8°
N3	C1	C4	H4	179.3°	179.8°
C4	C8	N11	H8	180.0°	179.9°
C4	C8	N11	C7	0.5°	0.1°
C8	N11	C7	N3	0.0°	0.3°
C8	N11	C7	N12	179.9°	180.0°
N11	C8	C4	H4	179.2°	180.0°
N11	C7	N3	N12	179.9°	179.7°
C7	N11	C8	H8	179.5°	180.0°
N11	C7	N12	H121	120.4°	0.0°
N11	C7	N12	H122	119.7°	180.0°
N3	C7	N12	H121	59.7°	179.8°
N3	C7	N12	H122	60.2°	0.2°
C7	N12	H121	H122	120.0°	180.0°
H4	C4	C8	H8	0.8°	0.1°

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