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Summary Geometry Related PDB entries

75W

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N12	N11	doub	1.24Å	1.19Å
N11	C1	sing	1.37Å	1.34Å
C1	C2	doub	1.40Å	1.39Å	Aromatic
C1	C6	sing	1.40Å	1.40Å	Aromatic
C2	C3	sing	1.38Å	1.40Å	Aromatic
C6	C5	doub	1.38Å	1.40Å	Aromatic
C3	C4	doub	1.38Å	1.40Å	Aromatic
C5	C4	sing	1.38Å	1.39Å	Aromatic
C4	S18	sing	1.76Å	1.75Å
N8	S18	sing	1.66Å	1.49Å
O10	S18	doub	1.42Å	1.50Å
S18	O9	doub	1.42Å	1.49Å
C5	H1	sing	1.08Å	1.08Å
C6	H2	sing	1.08Å	1.08Å
N12	H3	sing	0.97Å	1.00Å
C2	H4	sing	1.08Å	1.08Å
C3	H5	sing	1.08Å	1.08Å
N8	H6	sing	0.97Å	1.00Å
N8	H7	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N12	N11	C1	118.3°	120.0°
N11	N12	H3	112.0°	120.0°
N11	C1	C2	121.4°	120.1°
N11	C1	C6	119.0°	120.2°
C2	C1	C6	119.6°	119.7°
C1	C2	C3	119.9°	119.8°
C1	C2	H4	120.0°	120.1°
C1	C6	C5	120.0°	119.9°
C1	C6	H2	120.0°	120.1°
C2	C3	C4	120.9°	120.1°
C3	C2	H4	120.1°	120.0°
C2	C3	H5	119.5°	119.9°
C6	C5	C4	120.8°	120.1°
C6	C5	H1	119.6°	120.0°
C5	C6	H2	120.0°	120.1°
C3	C4	C5	118.8°	120.3°
C3	C4	S18	121.7°	119.8°
C4	C3	H5	119.6°	120.0°
C5	C4	S18	119.5°	119.9°
C4	C5	H1	119.6°	119.9°
C4	S18	N8	108.4°	107.2°
C4	S18	O10	107.2°	106.4°
C4	S18	O9	105.9°	106.4°
N8	S18	O10	114.4°	106.4°
N8	S18	O9	106.8°	106.3°
S18	N8	H6	109.5°	120.0°
S18	N8	H7	109.4°	120.0°
O10	S18	O9	113.8°	123.2°
H6	N8	H7	109.5°	120.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N12	N11	C1	C2	60.7°	180.0°
N12	N11	C1	C6	119.6°	0.0°
N11	C1	C2	C6	179.7°	180.0°
N11	C1	C2	C3	179.8°	179.7°
N11	C1	C6	C5	179.7°	180.0°
N11	C1	C6	H2	0.3°	0.0°
C1	N11	N12	H3	0.0°	0.1°
N11	C1	C2	H4	0.2°	0.0°
C1	C2	C3	H4	180.0°	179.7°
C2	C1	C6	C5	0.0°	0.0°
C1	C2	C3	C4	0.4°	0.6°
C2	C1	C6	H2	180.0°	179.9°
C1	C2	C3	H5	179.6°	179.9°
C6	C1	C2	C3	0.1°	0.3°
C1	C6	C5	H2	180.0°	180.0°
C1	C6	C5	C4	0.6°	0.0°
C1	C6	C5	H1	179.3°	180.0°
C6	C1	C2	H4	179.9°	180.0°
C2	C3	C4	H5	180.0°	179.5°
C2	C3	C4	C5	1.0°	0.6°
C2	C3	C4	S18	179.8°	179.7°
C6	C5	C4	C3	1.1°	0.3°
C6	C5	C4	H1	180.0°	180.0°
C6	C5	C4	S18	180.0°	180.0°
C3	C4	C5	S18	178.8°	179.7°
C3	C4	S18	N8	136.4°	90.3°
C3	C4	S18	O10	12.5°	156.2°
C3	C4	S18	O9	109.4°	23.2°
C3	C4	C5	H1	178.8°	179.7°
C4	C3	C2	H4	179.6°	179.7°
C5	C4	S18	N8	44.8°	90.0°
C5	C4	S18	O10	168.7°	23.5°
C5	C4	S18	O9	69.4°	156.5°
C4	C5	C6	H2	179.4°	179.9°
C5	C4	C3	H5	179.0°	180.0°
C4	S18	N8	O10	119.5°	113.6°
C4	S18	N8	O9	113.7°	113.5°
C4	S18	O10	O9	116.8°	123.0°
S18	C4	C5	H1	0.0°	0.1°
S18	C4	C3	H5	0.2°	0.3°
C4	S18	N8	H6	180.0°	0.1°
C4	S18	N8	H7	60.0°	180.0°
N8	S18	O10	O9	123.1°	122.9°
S18	N8	H6	H7	120.0°	180.0°
O10	S18	N8	H6	60.5°	113.5°
O10	S18	N8	H7	59.5°	66.4°
O9	S18	N8	H6	66.3°	113.6°
O9	S18	N8	H7	173.7°	66.5°
H1	C5	C6	H2	0.6°	0.0°
H4	C2	C3	H5	0.4°	0.3°

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