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Summary Geometry Related PDB entries

VUE

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CL	C5	sing	1.74Å	1.69Å
C5	C	doub	1.38Å	1.38Å	Aromatic
C5	C4	sing	1.38Å	1.34Å	Aromatic
C	C1	sing	1.38Å	1.36Å	Aromatic
C4	C3	doub	1.38Å	1.39Å	Aromatic
C1	C2	doub	1.39Å	1.39Å	Aromatic
C3	N	sing	1.48Å	1.41Å
C3	C2	sing	1.39Å	1.39Å	Aromatic
O1	N	doub	1.22Å	1.18Å
N	O	doub	1.22Å	1.16Å
C2	N1	sing	1.40Å	1.36Å
N1	C6	sing	1.46Å	1.47Å
C6	C7	sing	1.53Å	1.55Å
O2	C7	sing	1.43Å	1.40Å
N1	H1	sing	0.97Å	1.00Å
C7	H2	sing	1.09Å	1.10Å
C7	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.08Å	1.08Å
C6	H5	sing	1.09Å	1.10Å
C6	H6	sing	1.09Å	1.10Å
C4	H7	sing	1.08Å	1.08Å
C	H8	sing	1.08Å	1.08Å
O2	H9	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CL	C5	C	118.5°	119.9°
CL	C5	C4	120.0°	119.9°
C	C5	C4	121.5°	120.1°
C5	C	C1	121.7°	120.1°
C5	C	H8	119.1°	120.0°
C5	C4	C3	116.8°	120.1°
C5	C4	H7	121.6°	120.0°
C	C1	C2	119.5°	119.9°
C	C1	H4	120.2°	120.0°
C1	C	H8	119.1°	119.9°
C4	C3	N	116.0°	120.0°
C4	C3	C2	123.8°	119.9°
C3	C4	H7	121.6°	119.9°
C1	C2	C3	116.6°	119.9°
C1	C2	N1	121.7°	120.1°
C2	C1	H4	120.3°	120.0°
N	C3	C2	119.1°	120.1°
C3	N	O1	120.0°	120.0°
C3	N	O	117.6°	120.0°
C3	C2	N1	121.6°	120.0°
O1	N	O	122.4°	120.0°
C2	N1	C6	121.6°	120.0°
C2	N1	H1	106.3°	120.0°
N1	C6	C7	110.8°	109.5°
C6	N1	H1	106.4°	120.0°
N1	C6	H5	109.1°	109.5°
N1	C6	H6	109.1°	109.5°
C6	C7	O2	106.2°	109.5°
C6	C7	H2	110.3°	109.5°
C6	C7	H3	110.2°	109.5°
C7	C6	H5	109.1°	109.5°
C7	C6	H6	109.1°	109.5°
O2	C7	H2	110.3°	109.5°
O2	C7	H3	110.3°	109.4°
C7	O2	H9	109.5°	114.0°
H2	C7	H3	109.5°	109.4°
H5	C6	H6	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CL	C5	C	C4	179.2°	180.0°
CL	C5	C	C1	176.7°	180.0°
CL	C5	C4	C3	179.7°	179.8°
CL	C5	C4	H7	0.2°	0.0°
CL	C5	C	H8	3.3°	0.0°
C5	C	C1	H8	180.0°	180.0°
C	C5	C4	C3	0.6°	0.3°
C5	C	C1	C2	1.9°	0.0°
C5	C	C1	H4	178.1°	179.8°
C	C5	C4	H7	179.4°	179.9°
C4	C5	C	C1	2.5°	0.0°
C5	C4	C3	H7	180.0°	179.8°
C5	C4	C3	N	163.6°	180.0°
C5	C4	C3	C2	4.4°	0.5°
C4	C5	C	H8	177.5°	179.9°
C	C1	C2	H4	180.0°	179.8°
C	C1	C2	C3	1.7°	0.3°
C	C1	C2	N1	174.3°	179.8°
C4	C3	C2	C1	4.9°	0.5°
C4	C3	N	C2	168.5°	179.4°
C4	C3	N	O1	15.2°	142.6°
C4	C3	N	O	163.5°	37.4°
C4	C3	C2	N1	171.1°	179.5°
C1	C2	C3	N	162.7°	180.0°
C1	C2	C3	N1	176.0°	180.0°
C1	C2	N1	C6	1.1°	5.9°
C1	C2	N1	H1	120.6°	174.4°
C2	C1	C	H8	178.1°	180.0°
C3	N	O1	O	178.7°	180.0°
N	C3	C2	N1	21.4°	0.1°
N	C3	C4	H7	16.5°	0.2°
C2	C3	N	O1	176.3°	38.0°
C2	C3	N	O	5.0°	142.0°
C3	C2	N1	C6	174.6°	174.1°
C3	C2	N1	H1	63.7°	5.6°
C3	C2	C1	H4	178.4°	180.0°
C2	C3	C4	H7	175.6°	179.7°
C2	N1	C6	H1	121.7°	179.7°
C2	N1	C6	C7	159.6°	179.7°
N1	C2	C1	H4	5.7°	0.0°
C2	N1	C6	H5	39.4°	59.7°
C2	N1	C6	H6	80.3°	60.3°
N1	C6	C7	H5	120.2°	120.0°
N1	C6	C7	H6	120.2°	120.0°
N1	C6	C7	O2	82.8°	65.0°
N1	C6	C7	H2	36.7°	175.0°
N1	C6	C7	H3	157.7°	55.0°
N1	C6	H5	H6	119.4°	120.0°
C6	C7	O2	H2	119.5°	120.1°
C6	C7	O2	H3	119.5°	120.0°
C7	C6	N1	H1	78.7°	0.0°
C6	C7	H2	H3	121.5°	120.0°
C7	C6	H5	H6	119.4°	120.0°
C6	C7	O2	H9	180.0°	180.0°
O2	C7	H2	H3	121.5°	119.9°
O2	C7	C6	H5	157.0°	55.0°
O2	C7	C6	H6	37.4°	175.0°
H1	N1	C6	H5	161.1°	120.0°
H1	N1	C6	H6	41.4°	120.0°
H2	C7	C6	H5	83.5°	65.0°
H2	C7	C6	H6	156.9°	55.0°
H2	C7	O2	H9	60.5°	59.9°
H3	C7	C6	H5	37.5°	175.0°
H3	C7	C6	H6	82.1°	65.0°
H3	C7	O2	H9	60.5°	60.0°
H4	C1	C	H8	1.9°	0.2°

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