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Summary Geometry Related PDB entries

WSY

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C	C1	sing	1.51Å	1.49Å
N2	C1	doub	1.31Å	1.32Å	Aromatic
N2	N1	sing	1.40Å	1.37Å	Aromatic
C1	N	sing	1.33Å	1.38Å	Aromatic
N1	C4	sing	1.47Å	1.46Å
N1	C2	sing	1.34Å	1.34Å	Aromatic
N	C2	doub	1.31Å	1.31Å	Aromatic
C4	C5	sing	1.53Å	1.52Å
C2	C3	sing	1.51Å	1.49Å
C5	C6	sing	1.51Å	1.50Å
C6	O	doub	1.21Å	1.22Å
C6	O1	sing	1.34Å	1.29Å
C4	H1	sing	1.09Å	1.10Å
C4	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
O1	H5	sing	0.97Å	0.95Å
C3	H6	sing	1.09Å	1.10Å
C3	H7	sing	1.09Å	1.10Å
C3	H8	sing	1.09Å	1.10Å
C	H9	sing	1.09Å	1.10Å
C	H10	sing	1.09Å	1.10Å
C	H11	sing	1.09Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C	C1	N2	122.2°	125.5°
C	C1	N	122.0°	125.5°
C1	C	H9	109.5°	109.4°
C1	C	H10	109.5°	109.5°
C1	C	H11	109.4°	109.5°
C1	N2	N1	101.3°	106.8°
N2	C1	N	115.8°	109.0°
N2	N1	C4	119.1°	126.8°
N2	N1	C2	110.2°	106.4°
C1	N	C2	101.9°	109.8°
C4	N1	C2	130.6°	126.8°
N1	C4	C5	111.6°	109.5°
N1	C4	H1	108.9°	109.4°
N1	C4	H2	108.9°	109.5°
N1	C2	N	110.9°	108.1°
N1	C2	C3	123.7°	126.0°
N	C2	C3	125.3°	125.9°
C4	C5	C6	112.1°	109.5°
C5	C4	H1	109.0°	109.5°
C5	C4	H2	108.9°	109.5°
C4	C5	H3	108.8°	109.4°
C4	C5	H4	108.8°	109.5°
C2	C3	H6	109.5°	109.5°
C2	C3	H7	109.5°	109.5°
C2	C3	H8	109.5°	109.5°
C5	C6	O	124.5°	120.0°
C5	C6	O1	112.7°	120.0°
C6	C5	H3	108.8°	109.5°
C6	C5	H4	108.8°	109.5°
O	C6	O1	122.8°	120.0°
C6	O1	H5	109.5°	117.0°
H1	C4	H2	109.5°	109.4°
H3	C5	H4	109.5°	109.5°
H6	C3	H7	109.5°	109.5°
H6	C3	H8	109.5°	109.4°
H7	C3	H8	109.5°	109.5°
H9	C	H10	109.4°	109.5°
H9	C	H11	109.5°	109.4°
H10	C	H11	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C	C1	N2	N	178.1°	179.7°
C	C1	N2	N1	177.7°	180.0°
C	C1	N	C2	177.0°	179.9°
C1	C	H9	H10	120.0°	120.0°
C1	C	H9	H11	120.0°	119.9°
C1	C	H10	H11	120.0°	120.0°
C1	N2	N1	C4	175.4°	179.9°
C1	N2	N1	C2	0.4°	0.3°
N2	C1	N	C2	1.1°	0.2°
N2	C1	C	H9	0.0°	89.9°
N2	C1	C	H10	120.0°	150.0°
N2	C1	C	H11	120.0°	30.0°
N1	N2	C1	N	0.4°	0.3°
N2	N1	C4	C2	174.9°	179.8°
N2	N1	C2	N	1.2°	0.2°
N2	N1	C4	C5	80.1°	90.3°
N2	N1	C2	C3	177.4°	179.8°
N2	N1	C4	H1	40.3°	29.7°
N2	N1	C4	H2	159.6°	149.7°
C1	N	C2	N1	1.4°	0.0°
C1	N	C2	C3	177.2°	180.0°
N	C1	C	H9	178.0°	90.4°
N	C1	C	H10	62.0°	29.6°
N	C1	C	H11	58.0°	149.6°
C4	N1	C2	N	174.0°	180.0°
N1	C4	C5	H1	120.3°	120.0°
N1	C4	C5	H2	120.3°	120.0°
C4	N1	C2	C3	7.4°	0.0°
N1	C4	C5	C6	57.3°	180.0°
N1	C4	H1	H2	119.0°	120.0°
N1	C4	C5	H3	63.1°	60.0°
N1	C4	C5	H4	177.6°	60.0°
N1	C2	N	C3	178.6°	180.0°
C2	N1	C4	C5	94.8°	90.0°
C2	N1	C4	H1	144.9°	150.0°
C2	N1	C4	H2	25.5°	30.1°
N1	C2	C3	H6	178.4°	89.9°
N1	C2	C3	H7	61.6°	150.0°
N1	C2	C3	H8	58.4°	30.0°
N	C2	C3	H6	0.0°	90.0°
N	C2	C3	H7	120.0°	30.0°
N	C2	C3	H8	120.0°	150.0°
C4	C5	C6	H3	120.4°	120.0°
C4	C5	C6	H4	120.4°	120.0°
C4	C5	C6	O	71.5°	0.0°
C4	C5	C6	O1	106.9°	179.9°
C5	C4	H1	H2	119.0°	120.0°
C4	C5	H3	H4	118.8°	120.0°
C2	C3	H6	H7	120.0°	120.0°
C2	C3	H6	H8	120.0°	120.0°
C2	C3	H7	H8	120.0°	120.0°
C5	C6	O	O1	178.2°	179.9°
C6	C5	C4	H1	177.6°	60.0°
C6	C5	C4	H2	63.1°	60.0°
C6	C5	H3	H4	118.8°	120.1°
C5	C6	O1	H5	178.4°	180.0°
O	C6	C5	H3	48.9°	119.9°
O	C6	C5	H4	168.2°	120.1°
O	C6	O1	H5	0.0°	0.1°
O1	C6	C5	H3	132.7°	60.0°
O1	C6	C5	H4	13.5°	60.1°
H1	C4	C5	H3	57.2°	180.0°
H1	C4	C5	H4	62.0°	60.0°
H2	C4	C5	H3	176.5°	60.0°
H2	C4	C5	H4	57.3°	180.0°
H6	C3	H7	H8	120.0°	120.0°
H9	C	H10	H11	120.0°	120.0°

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