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Summary Geometry Related PDB entries

72U

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C3	C4	doub	1.38Å	1.38Å	Aromatic
C3	C2	sing	1.38Å	1.41Å	Aromatic
C4	C5	sing	1.40Å	1.37Å	Aromatic
O15	C10	doub	1.22Å	1.23Å
C2	C1	doub	1.39Å	1.35Å	Aromatic
C5	C10	sing	1.47Å	1.40Å
C5	C6	doub	1.40Å	1.36Å	Aromatic
C10	O13	sing	1.35Å	1.36Å
C1	C6	sing	1.41Å	1.35Å	Aromatic
C1	C9	sing	1.48Å	1.42Å
C6	N7	sing	1.39Å	1.33Å
O13	C14	sing	1.45Å	1.46Å
O12	C9	doub	1.21Å	1.47Å
C9	C8	sing	1.50Å	1.44Å
N7	C8	sing	1.34Å	1.33Å
C8	O11	doub	1.21Å	1.21Å
C14	H1	sing	1.09Å	1.10Å
C14	H2	sing	1.09Å	1.10Å
C14	H3	sing	1.09Å	1.10Å
C4	H4	sing	1.08Å	1.08Å
C3	H5	sing	1.08Å	1.08Å
C2	H6	sing	1.08Å	1.08Å
N7	H7	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C4	C3	C2	120.6°	120.3°
C3	C4	C5	120.9°	120.5°
C3	C4	H4	119.5°	119.7°
C4	C3	H5	119.7°	119.9°
C3	C2	C1	116.2°	120.1°
C2	C3	H5	119.7°	119.8°
C3	C2	H6	121.9°	120.0°
C4	C5	C10	122.6°	120.1°
C4	C5	C6	117.0°	119.8°
C5	C4	H4	119.5°	119.8°
O15	C10	C5	124.7°	120.0°
O15	C10	O13	122.2°	120.0°
C2	C1	C6	122.5°	120.4°
C2	C1	C9	130.1°	133.0°
C1	C2	H6	121.9°	119.9°
C10	C5	C6	120.3°	120.1°
C5	C10	O13	112.9°	120.0°
C5	C6	C1	122.6°	118.8°
C5	C6	N7	126.4°	131.4°
C10	O13	C14	115.2°	117.0°
C6	C1	C9	107.4°	106.5°
C1	C6	N7	111.0°	109.8°
C1	C9	O12	119.7°	127.7°
C1	C9	C8	103.2°	104.7°
C6	N7	C8	108.9°	111.6°
C6	N7	H7	125.5°	124.2°
O13	C14	H1	109.5°	109.5°
O13	C14	H2	109.5°	109.5°
O13	C14	H3	109.5°	109.5°
O12	C9	C8	118.5°	127.7°
C9	C8	N7	108.4°	107.5°
C9	C8	O11	124.9°	126.3°
N7	C8	O11	126.2°	126.3°
C8	N7	H7	125.6°	124.2°
H1	C14	H2	109.5°	109.4°
H1	C14	H3	109.4°	109.5°
H2	C14	H3	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C4	C3	C2	H5	180.0°	179.9°
C3	C4	C5	H4	180.0°	180.0°
C4	C3	C2	C1	3.8°	0.1°
C3	C4	C5	C10	179.1°	180.0°
C3	C4	C5	C6	2.2°	0.2°
C4	C3	C2	H6	176.2°	180.0°
C2	C3	C4	C5	1.4°	0.1°
C3	C2	C1	H6	180.0°	179.9°
C3	C2	C1	C6	2.5°	0.2°
C3	C2	C1	C9	179.7°	180.0°
C2	C3	C4	H4	178.5°	179.9°
C4	C5	C10	O15	25.1°	179.7°
C4	C5	C10	C6	176.8°	179.8°
C4	C5	C10	O13	149.4°	0.2°
C4	C5	C6	C1	3.6°	0.5°
C4	C5	C6	N7	178.1°	179.8°
C5	C4	C3	H5	178.6°	180.0°
O15	C10	C5	O13	174.4°	179.9°
O15	C10	C5	C6	151.8°	0.1°
O15	C10	O13	C14	3.2°	0.0°
C2	C1	C6	C5	1.2°	0.5°
C2	C1	C6	C9	177.7°	179.8°
C2	C1	C6	N7	179.8°	179.7°
C2	C1	C9	O12	41.1°	0.0°
C2	C1	C9	C8	175.4°	179.4°
C1	C2	C3	H5	176.2°	180.0°
C10	C5	C6	C1	179.4°	179.7°
C10	C5	C6	N7	1.1°	0.0°
C5	C10	O13	C14	177.8°	180.0°
C10	C5	C4	H4	0.9°	0.0°
C6	C5	C10	O13	33.8°	180.0°
C5	C6	C1	N7	178.6°	179.8°
C5	C6	C1	C9	176.6°	179.7°
C5	C6	N7	C8	176.9°	180.0°
C6	C5	C4	H4	177.8°	179.8°
C5	C6	N7	H7	3.2°	0.0°
C10	O13	C14	H1	180.0°	180.0°
C10	O13	C14	H2	60.0°	60.0°
C10	O13	C14	H3	60.0°	60.0°
C6	C1	C9	O12	141.4°	179.8°
C6	C1	C9	C8	7.2°	0.3°
C1	C6	N7	C8	4.6°	0.3°
C6	C1	C2	H6	177.5°	179.7°
C1	C6	N7	H7	175.4°	179.8°
C9	C1	C6	N7	2.0°	0.1°
C1	C9	O12	C8	127.6°	179.3°
C1	C9	C8	N7	10.0°	0.5°
C1	C9	C8	O11	177.1°	179.9°
C9	C1	C2	H6	0.3°	0.0°
C6	N7	C8	C9	9.2°	0.5°
C6	N7	C8	H7	180.0°	180.0°
C6	N7	C8	O11	178.0°	179.9°
O13	C14	H1	H2	120.0°	120.0°
O13	C14	H1	H3	120.0°	120.0°
O13	C14	H2	H3	120.0°	120.0°
O12	C9	C8	N7	145.0°	179.9°
O12	C9	C8	O11	42.1°	0.6°
C9	C8	N7	O11	172.8°	179.4°
C9	C8	N7	H7	170.8°	179.6°
O11	C8	N7	H7	2.0°	0.1°
H1	C14	H2	H3	120.0°	120.0°
H4	C4	C3	H5	1.4°	0.0°
H5	C3	C2	H6	3.8°	0.1°

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PDB entries from 2024-07-17

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