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Summary Geometry Related PDB entries

66Y

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	C1	sing	1.57Å	1.56Å
C2	C3	sing	1.54Å	1.49Å
C2	C6	sing	1.54Å	1.53Å
C1	C5	sing	1.57Å	1.57Å
C3	C4	doub	1.32Å	1.34Å
O1	C6	doub	1.21Å	1.20Å
C6	N1	sing	1.36Å	1.40Å
C4	C5	sing	1.53Å	1.56Å
C5	N1	sing	1.49Å	1.45Å
C1	H3	sing	1.09Å	1.10Å
C1	H4	sing	1.09Å	1.10Å
N1	H7	sing	0.97Å	1.00Å
C2	H1	sing	1.09Å	1.10Å
C3	H5	sing	1.08Å	1.08Å
C4	H6	sing	1.08Å	1.08Å
C5	H2	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C2	C3	99.2°	99.8°
C1	C2	C6	96.3°	99.1°
C2	C1	C5	92.6°	90.9°
C2	C1	H3	113.5°	112.9°
C2	C1	H4	113.5°	113.0°
C1	C2	H1	116.2°	117.2°
C3	C2	C6	107.3°	103.3°
C2	C3	C4	108.2°	107.4°
C3	C2	H1	117.6°	116.9°
C2	C3	H5	125.9°	126.3°
C2	C6	O1	128.4°	126.8°
C2	C6	N1	106.9°	106.4°
C6	C2	H1	116.9°	117.5°
C1	C5	C4	95.6°	99.8°
C1	C5	N1	99.7°	100.2°
C5	C1	H3	113.5°	112.9°
C5	C1	H4	113.5°	112.9°
C1	C5	H2	115.4°	116.8°
C3	C4	C5	106.9°	107.6°
C4	C3	H5	125.9°	126.3°
C3	C4	H6	126.5°	126.2°
O1	C6	N1	124.7°	126.8°
C6	N1	C5	106.6°	107.6°
C6	N1	H7	126.7°	126.2°
C4	C5	N1	109.7°	104.0°
C5	C4	H6	126.6°	126.2°
C4	C5	H2	115.7°	116.4°
C5	N1	H7	126.7°	126.3°
N1	C5	H2	117.6°	117.0°
H3	C1	H4	109.5°	112.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C2	C3	C6	99.6°	101.9°
C1	C2	C3	H1	126.2°	127.4°
C1	C2	C6	H1	123.7°	127.3°
C2	C1	C5	H3	117.1°	115.4°
C2	C1	C5	H4	117.1°	115.6°
C1	C2	C3	C4	32.3°	35.8°
C1	C2	C6	O1	144.2°	144.3°
C1	C2	C6	N1	37.5°	35.7°
C2	C1	C5	C4	55.1°	52.3°
C2	C1	C5	N1	56.0°	54.0°
C2	C1	H3	H4	128.0°	129.4°
C1	C2	C3	H5	147.7°	144.1°
C2	C1	C5	H2	177.0°	178.6°
C3	C2	C6	H1	134.5°	130.3°
C3	C2	C1	C5	54.1°	52.4°
C2	C3	C4	H5	180.0°	179.9°
C3	C2	C6	O1	114.1°	113.3°
C3	C2	C6	N1	64.2°	66.7°
C2	C3	C4	C5	5.1°	0.2°
C3	C2	C1	H3	171.2°	167.9°
C3	C2	C1	H4	63.0°	63.0°
C2	C3	C4	H6	174.9°	179.8°
C6	C2	C1	C5	54.6°	52.9°
C6	C2	C3	C4	67.3°	66.1°
C2	C6	O1	N1	178.0°	180.0°
C2	C6	N1	C5	1.5°	0.4°
C6	C2	C1	H3	62.5°	62.5°
C6	C2	C1	H4	171.7°	168.4°
C2	C6	N1	H7	178.5°	179.6°
C6	C2	C3	H5	112.7°	114.0°
C1	C5	C4	C3	40.0°	35.4°
C1	C5	N1	C6	35.3°	36.5°
C1	C5	C4	N1	102.4°	103.2°
C1	C5	C4	H2	121.7°	126.6°
C1	C5	N1	H2	125.5°	127.3°
C5	C1	H3	H4	128.0°	129.2°
C1	C5	N1	H7	144.7°	143.5°
C5	C1	C2	H1	178.8°	179.6°
C1	C5	C4	H6	140.0°	144.6°
C3	C4	C5	H6	180.0°	180.0°
C3	C4	C5	N1	62.3°	67.8°
C4	C3	C2	H1	158.5°	163.2°
C3	C4	C5	H2	161.8°	162.0°
O1	C6	N1	C5	179.8°	179.6°
O1	C6	N1	H7	0.1°	0.4°
O1	C6	C2	H1	20.5°	17.0°
C6	N1	C5	C4	64.2°	66.4°
C6	N1	C5	H7	180.0°	180.0°
N1	C6	C2	H1	161.3°	163.0°
C6	N1	C5	H2	160.8°	163.8°
C4	C5	N1	H2	135.0°	129.8°
C4	C5	C1	H3	172.2°	167.7°
C4	C5	C1	H4	62.0°	63.3°
C4	C5	N1	H7	115.8°	113.6°
C5	C4	C3	H5	174.9°	179.7°
N1	C5	C1	H3	61.0°	61.4°
N1	C5	C1	H4	173.1°	169.6°
N1	C5	C4	H6	117.7°	112.2°
H3	C1	C2	H1	61.8°	65.0°
H3	C1	C5	H2	65.9°	66.0°
H4	C1	C2	H1	64.1°	64.1°
H4	C1	C5	H2	59.9°	63.0°
H7	N1	C5	H2	19.2°	16.2°
H1	C2	C3	H5	21.5°	16.7°
H5	C3	C4	H6	5.1°	0.3°
H6	C4	C5	H2	18.3°	18.0°

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