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Summary Geometry Related PDB entries

O66

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C4	N	doub	1.29Å	1.27Å
C4	N1	sing	1.37Å	1.34Å
N	C3	sing	1.47Å	1.48Å
O1	C	sing	1.34Å	1.37Å
N1	C5	sing	1.35Å	1.37Å
C	O	doub	1.21Å	1.23Å
C	C1	sing	1.51Å	1.51Å
C3	C5	sing	1.52Å	1.52Å
C3	C2	sing	1.53Å	1.53Å
C5	O2	doub	1.21Å	1.23Å
C1	C2	sing	1.53Å	1.55Å
O1	H	sing	0.97Å	0.95Å
N1	H7	sing	0.97Å	1.00Å
C2	H3	sing	1.09Å	1.10Å
C2	H4	sing	1.09Å	1.10Å
C3	H5	sing	1.09Å	1.10Å
C4	H6	sing	1.08Å	1.08Å
C1	H2	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N	C4	N1	112.1°	113.1°
C4	N	C3	111.9°	107.7°
N	C4	H6	123.9°	123.4°
C4	N1	C5	109.6°	110.7°
C4	N1	H7	125.2°	124.7°
N1	C4	H6	124.0°	123.5°
N	C3	C5	98.9°	103.7°
N	C3	C2	106.1°	110.9°
N	C3	H5	106.9°	110.4°
O1	C	O	122.9°	120.1°
O1	C	C1	115.1°	120.0°
C	O1	H	109.5°	117.0°
N1	C5	C3	107.1°	104.9°
N1	C5	O2	126.0°	127.6°
C5	N1	H7	125.2°	124.7°
O	C	C1	122.0°	120.0°
C	C1	C2	116.9°	109.5°
C	C1	H2	107.6°	109.4°
C	C1	H1	107.6°	109.5°
C5	C3	C2	130.0°	110.6°
C3	C5	O2	126.2°	127.6°
C5	C3	H5	106.5°	110.5°
C3	C2	C1	110.6°	109.5°
C3	C2	H3	109.2°	109.5°
C3	C2	H4	109.2°	109.5°
C2	C3	H5	106.4°	110.5°
C1	C2	H3	109.2°	109.5°
C1	C2	H4	109.2°	109.5°
C2	C1	H2	107.6°	109.5°
C2	C1	H1	107.6°	109.5°
H3	C2	H4	109.5°	109.5°
H2	C1	H1	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N	C4	N1	H6	180.0°	180.0°
N	C4	N1	C5	1.3°	0.0°
C4	N	C3	C5	6.0°	0.4°
C4	N	C3	C2	142.3°	118.3°
N	C4	N1	H7	178.7°	179.7°
C4	N	C3	H5	104.4°	118.8°
N1	C4	N	C3	4.9°	0.3°
C4	N1	C5	H7	180.0°	179.7°
C4	N1	C5	C3	2.7°	0.3°
C4	N1	C5	O2	173.9°	179.7°
N	C3	C5	N1	4.9°	0.4°
N	C3	C5	C2	119.9°	119.0°
N	C3	C5	H5	110.7°	118.3°
N	C3	C2	H5	113.7°	122.8°
N	C3	C5	O2	176.1°	179.6°
N	C3	C2	C1	53.9°	70.5°
N	C3	C2	H3	174.1°	169.5°
N	C3	C2	H4	66.3°	49.5°
C3	N	C4	H6	175.1°	179.8°
O1	C	O	C1	178.5°	179.9°
O1	C	C1	C2	150.3°	180.0°
O1	C	C1	H2	29.2°	60.0°
O1	C	C1	H1	88.6°	60.0°
N1	C5	C3	O2	171.2°	180.0°
N1	C5	C3	C2	124.8°	118.5°
N1	C5	C3	H5	105.8°	118.7°
C5	N1	C4	H6	178.7°	179.9°
O	C	C1	C2	31.1°	0.1°
O	C	O1	H	0.0°	0.0°
O	C	C1	H2	152.2°	120.0°
O	C	C1	H1	90.0°	120.0°
C	C1	C2	C3	54.9°	180.0°
C	C1	C2	H2	121.1°	119.9°
C	C1	C2	H1	121.1°	120.0°
C1	C	O1	H	178.6°	179.9°
C	C1	C2	H3	65.2°	60.1°
C	C1	C2	H4	175.1°	60.0°
C	C1	H2	H1	116.6°	120.0°
C5	C3	C2	H5	129.4°	122.7°
C5	C3	C2	C1	170.9°	175.0°
C3	C5	N1	H7	177.3°	180.0°
C5	C3	C2	H3	68.9°	55.0°
C5	C3	C2	H4	50.7°	65.0°
C2	C3	C5	O2	64.0°	61.5°
C3	C2	C1	H3	120.2°	120.0°
C3	C2	C1	H4	120.2°	120.0°
C3	C2	H3	H4	119.5°	120.0°
C3	C2	C1	H2	66.1°	60.0°
C3	C2	C1	H1	176.0°	60.0°
O2	C5	N1	H7	6.1°	0.0°
O2	C5	C3	H5	65.3°	61.3°
C1	C2	H3	H4	119.5°	120.0°
C1	C2	C3	H5	59.7°	52.3°
C2	C1	H2	H1	116.6°	120.0°
H7	N1	C4	H6	1.3°	0.3°
H3	C2	C3	H5	60.4°	67.7°
H3	C2	C1	H2	173.7°	180.0°
H3	C2	C1	H1	55.9°	60.0°
H4	C2	C3	H5	179.9°	172.3°
H4	C2	C1	H2	54.0°	60.0°
H4	C2	C1	H1	63.8°	180.0°

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