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Summary Geometry Related PDB entries

77O

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C12	doub	1.35Å	1.34Å	Aromatic
C11	C10	sing	1.41Å	1.41Å	Aromatic
C12	O13	sing	1.34Å	1.34Å	Aromatic
C10	C9	doub	1.35Å	1.34Å	Aromatic
O13	C9	sing	1.34Å	1.35Å	Aromatic
C9	C8	sing	1.51Å	1.51Å
C8	N7	sing	1.46Å	1.47Å
N7	C6	sing	1.39Å	1.40Å
C6	N14	doub	1.33Å	1.34Å	Aromatic
C6	C5	sing	1.39Å	1.41Å	Aromatic
N14	C2	sing	1.32Å	1.33Å	Aromatic
C5	N4	doub	1.32Å	1.33Å	Aromatic
C2	CL1	sing	1.73Å	1.73Å
C2	C3	doub	1.38Å	1.39Å	Aromatic
N4	C3	sing	1.32Å	1.33Å	Aromatic
C5	H1	sing	1.08Å	1.08Å
C8	H2	sing	1.09Å	1.10Å
C8	H3	sing	1.09Å	1.10Å
C10	H4	sing	1.08Å	1.08Å
C3	H5	sing	1.08Å	1.08Å
N7	H6	sing	0.97Å	1.00Å
C11	H7	sing	1.08Å	1.08Å
C12	H8	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C11	C10	107.3°	106.9°
C11	C12	O13	107.9°	108.4°
C12	C11	H7	126.4°	126.5°
C11	C12	H8	126.1°	125.9°
C11	C10	C9	106.8°	106.9°
C11	C10	H4	126.6°	126.6°
C10	C11	H7	126.3°	126.6°
C12	O13	C9	110.0°	109.5°
O13	C12	H8	126.0°	125.8°
C10	C9	O13	108.0°	108.4°
C10	C9	C8	126.7°	125.8°
C9	C10	H4	126.6°	126.5°
O13	C9	C8	125.3°	125.8°
C9	C8	N7	113.0°	109.5°
C9	C8	H2	108.6°	109.5°
C9	C8	H3	108.6°	109.4°
C8	N7	C6	123.0°	120.0°
N7	C8	H2	108.6°	109.5°
N7	C8	H3	108.6°	109.5°
C8	N7	H6	106.0°	120.0°
N7	C6	N14	118.9°	120.1°
N7	C6	C5	122.7°	120.1°
C6	N7	H6	106.0°	120.0°
N14	C6	C5	118.5°	119.8°
C6	N14	C2	121.0°	119.9°
C6	C5	N4	120.1°	119.9°
C6	C5	H1	119.9°	120.0°
N14	C2	CL1	120.1°	120.0°
N14	C2	C3	120.1°	120.0°
C5	N4	C3	121.0°	120.1°
N4	C5	H1	119.9°	120.0°
CL1	C2	C3	119.9°	120.0°
C2	C3	N4	119.4°	120.1°
C2	C3	H5	120.3°	119.9°
N4	C3	H5	120.3°	120.0°
H2	C8	H3	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C11	C10	H7	180.0°	179.8°
C11	C12	O13	H8	180.0°	179.8°
C12	C11	C10	C9	0.2°	0.1°
C11	C12	O13	C9	0.0°	0.4°
C12	C11	C10	H4	179.8°	179.8°
C10	C11	C12	O13	0.1°	0.2°
C11	C10	C9	H4	180.0°	179.8°
C11	C10	C9	O13	0.2°	0.3°
C11	C10	C9	C8	179.3°	179.8°
C10	C11	C12	H8	179.9°	180.0°
C12	O13	C9	C10	0.2°	0.4°
C12	O13	C9	C8	179.3°	179.6°
O13	C12	C11	H7	179.9°	180.0°
C10	C9	O13	C8	179.1°	180.0°
C10	C9	C8	N7	36.7°	90.0°
C10	C9	C8	H2	157.2°	30.0°
C10	C9	C8	H3	83.9°	149.9°
C9	C10	C11	H7	179.8°	179.8°
O13	C9	C8	N7	144.4°	90.0°
O13	C9	C8	H2	23.8°	149.9°
O13	C9	C8	H3	95.1°	30.0°
O13	C9	C10	H4	179.8°	179.9°
C9	O13	C12	H8	180.0°	179.8°
C9	C8	N7	H2	120.5°	120.0°
C9	C8	N7	H3	120.6°	120.0°
C9	C8	N7	C6	140.2°	180.0°
C9	C8	H2	H3	118.4°	119.9°
C8	C9	C10	H4	0.7°	0.0°
C9	C8	N7	H6	18.4°	0.0°
C8	N7	C6	H6	121.9°	180.0°
C8	N7	C6	N14	177.1°	180.0°
C8	N7	C6	C5	2.9°	0.1°
N7	C8	H2	H3	118.3°	120.0°
N7	C6	N14	C5	180.0°	179.9°
N7	C6	N14	C2	179.5°	180.0°
N7	C6	C5	N4	179.7°	180.0°
N7	C6	C5	H1	0.2°	0.2°
C6	N7	C8	H2	99.3°	60.0°
C6	N7	C8	H3	19.7°	60.0°
N14	C6	C5	N4	0.3°	0.1°
C6	N14	C2	CL1	179.6°	179.7°
C6	N14	C2	C3	0.5°	0.2°
N14	C6	C5	H1	179.8°	179.7°
N14	C6	N7	H6	61.0°	0.1°
C5	C6	N14	C2	0.5°	0.1°
C6	C5	N4	H1	180.0°	179.8°
C6	C5	N4	C3	0.0°	0.2°
C5	C6	N7	H6	119.0°	180.0°
N14	C2	CL1	C3	179.9°	179.5°
N14	C2	C3	N4	0.2°	0.5°
N14	C2	C3	H5	179.8°	179.5°
C5	N4	C3	C2	0.1°	0.5°
C5	N4	C3	H5	179.9°	179.5°
CL1	C2	C3	N4	179.9°	180.0°
CL1	C2	C3	H5	0.1°	0.0°
C2	C3	N4	H5	180.0°	180.0°
C3	N4	C5	H1	180.0°	180.0°
H2	C8	N7	H6	138.9°	120.0°
H3	C8	N7	H6	102.2°	120.0°
H4	C10	C11	H7	0.2°	0.0°
H7	C11	C12	H8	0.1°	0.1°

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PDB entries from 2024-07-31

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