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Summary Geometry Related PDB entries

3CJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
S1	C1	doub	1.71Å	1.72Å
C1	N1	sing	1.34Å	1.35Å
C1	N2	sing	1.35Å	1.35Å
N1	C2	sing	1.37Å	1.36Å
N2	C4	sing	1.35Å	1.35Å
C2	C5	sing	1.51Å	1.52Å
C2	C3	doub	1.35Å	1.40Å
C5	C6	sing	1.53Å	1.53Å
C4	C3	sing	1.42Å	1.40Å
C4	O1	doub	1.22Å	1.35Å
C7	C6	sing	1.53Å	1.53Å
C7	H1	sing	1.09Å	1.10Å
C7	H2	sing	1.09Å	1.10Å
C7	H3	sing	1.09Å	1.10Å
C6	H4	sing	1.09Å	1.10Å
C6	H5	sing	1.09Å	1.10Å
C5	H6	sing	1.09Å	1.10Å
C5	H7	sing	1.09Å	1.10Å
C3	H8	sing	1.08Å	1.08Å
N2	H10	sing	0.97Å	1.00Å
N1	H9	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
S1	C1	N1	118.9°	119.5°
S1	C1	N2	120.2°	119.5°
N1	C1	N2	120.8°	121.0°
C1	N1	C2	122.2°	120.6°
C1	N1	H9	118.9°	119.8°
C1	N2	C4	119.4°	120.3°
C1	N2	H10	120.3°	119.9°
N1	C2	C5	115.9°	120.1°
N1	C2	C3	118.0°	119.7°
C2	N1	H9	118.9°	119.7°
N2	C4	C3	121.1°	119.4°
N2	C4	O1	118.2°	120.4°
C4	N2	H10	120.3°	119.9°
C5	C2	C3	126.2°	120.1°
C2	C5	C6	120.4°	109.5°
C2	C5	H6	106.7°	109.5°
C2	C5	H7	106.7°	109.5°
C2	C3	C4	118.5°	119.0°
C2	C3	H8	120.8°	120.5°
C5	C6	C7	113.5°	109.5°
C5	C6	H4	108.4°	109.4°
C5	C6	H5	108.5°	109.5°
C6	C5	H6	106.6°	109.5°
C6	C5	H7	106.7°	109.5°
C3	C4	O1	120.7°	120.3°
C4	C3	H8	120.7°	120.4°
C6	C7	H1	109.5°	109.5°
C6	C7	H2	109.4°	109.5°
C6	C7	H3	109.4°	109.5°
C7	C6	H4	108.5°	109.5°
C7	C6	H5	108.5°	109.5°
H1	C7	H2	109.5°	109.5°
H1	C7	H3	109.5°	109.4°
H2	C7	H3	109.5°	109.4°
H4	C6	H5	109.5°	109.4°
H6	C5	H7	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
S1	C1	N1	N2	178.5°	179.9°
S1	C1	N1	C2	179.6°	180.0°
S1	C1	N2	C4	179.8°	179.8°
S1	C1	N2	H10	0.2°	0.1°
S1	C1	N1	H9	0.4°	0.1°
C1	N1	C2	H9	180.0°	179.9°
N1	C1	N2	C4	1.3°	0.1°
C1	N1	C2	C5	179.5°	180.0°
C1	N1	C2	C3	1.4°	0.3°
N1	C1	N2	H10	178.7°	180.0°
N2	C1	N1	C2	1.8°	0.1°
C1	N2	C4	H10	180.0°	179.8°
C1	N2	C4	C3	0.4°	0.1°
C1	N2	C4	O1	179.8°	180.0°
N2	C1	N1	H9	178.2°	180.0°
N1	C2	C5	C3	179.1°	179.7°
N1	C2	C5	C6	154.8°	85.3°
N1	C2	C3	C4	0.4°	0.3°
N1	C2	C5	H6	83.7°	154.6°
N1	C2	C5	H7	33.2°	34.7°
N1	C2	C3	H8	179.6°	179.8°
N2	C4	C3	C2	0.0°	0.1°
N2	C4	C3	O1	179.7°	179.9°
N2	C4	C3	H8	180.0°	180.0°
C2	C5	C6	H6	121.6°	120.0°
C2	C5	C6	H7	121.5°	120.0°
C5	C2	C3	C4	179.5°	180.0°
C2	C5	C6	C7	127.2°	180.0°
C2	C5	C6	H4	6.6°	60.0°
C2	C5	C6	H5	112.2°	60.0°
C2	C5	H6	H7	115.0°	119.9°
C5	C2	C3	H8	0.5°	0.1°
C5	C2	N1	H9	0.6°	0.1°
C3	C2	C5	C6	26.1°	95.0°
C2	C3	C4	H8	180.0°	179.9°
C2	C3	C4	O1	179.7°	179.8°
C3	C2	C5	H6	95.4°	25.0°
C3	C2	C5	H7	147.7°	145.0°
C3	C2	N1	H9	178.6°	179.7°
C5	C6	C7	H4	120.6°	120.0°
C5	C6	C7	H5	120.6°	120.0°
C5	C6	C7	H1	180.0°	180.0°
C5	C6	C7	H2	60.0°	60.0°
C5	C6	C7	H3	60.0°	60.0°
C5	C6	H4	H5	118.1°	119.9°
C6	C5	H6	H7	115.0°	120.0°
C3	C4	N2	H10	179.6°	180.0°
O1	C4	C3	H8	0.3°	0.1°
O1	C4	N2	H10	0.2°	0.2°
C6	C7	H1	H2	120.0°	120.1°
C6	C7	H1	H3	120.0°	120.0°
C6	C7	H2	H3	120.0°	120.1°
C7	C6	H4	H5	118.2°	120.1°
C7	C6	C5	H6	111.2°	60.0°
C7	C6	C5	H7	5.7°	60.0°
H1	C7	H2	H3	120.0°	119.9°
H1	C7	C6	H4	59.4°	60.0°
H1	C7	C6	H5	59.4°	60.0°
H2	C7	C6	H4	179.4°	60.0°
H2	C7	C6	H5	60.6°	180.0°
H3	C7	C6	H4	60.6°	180.0°
H3	C7	C6	H5	179.4°	60.0°
H4	C6	C5	H6	128.2°	180.0°
H4	C6	C5	H7	114.9°	60.0°
H5	C6	C5	H6	9.4°	60.1°
H5	C6	C5	H7	126.3°	180.0°

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