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Summary Geometry Related PDB entries

1F1

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C2	doub	1.22Å	1.33Å
C2	O3	sing	1.35Å	1.23Å
C2	C4	sing	1.47Å	1.49Å
O3	HO3	sing	0.97Å	0.95Å
C4	C5	doub	1.40Å	1.40Å	Aromatic
C4	C12	sing	1.39Å	1.39Å	Aromatic
C5	C6	sing	1.36Å	1.39Å	Aromatic
C5	H5	sing	1.08Å	1.08Å
C6	C7	doub	1.40Å	1.39Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C11	C7	sing	1.41Å	1.40Å	Aromatic
C7	C8	sing	1.46Å	1.39Å	Aromatic
C8	C9	doub	1.34Å	1.39Å	Aromatic
C8	H8	sing	1.08Å	1.08Å
N10	C9	sing	1.37Å	1.35Å	Aromatic
C9	H9	sing	1.08Å	1.08Å
C11	N10	sing	1.38Å	1.35Å	Aromatic
C12	C11	doub	1.39Å	1.39Å	Aromatic
C12	H12	sing	1.08Å	1.08Å
N10	HN10	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C2	O3	119.6°	120.0°
O1	C2	C4	119.7°	120.0°
O3	C2	C4	120.7°	120.0°
C2	O3	HO3	109.5°	117.0°
C2	C4	C5	119.6°	119.8°
C2	C4	C12	118.9°	119.8°
C5	C4	C12	121.5°	120.3°
C4	C5	C6	121.5°	120.4°
C4	C5	H5	119.3°	119.8°
C4	C12	C11	116.9°	119.6°
C4	C12	H12	121.6°	120.2°
C6	C5	H5	119.3°	119.8°
C5	C6	C7	117.1°	119.9°
C5	C6	H6	121.5°	120.0°
C7	C6	H6	121.4°	120.0°
C6	C7	C11	121.4°	120.2°
C6	C7	C8	131.7°	133.8°
C11	C7	C8	106.9°	106.0°
C7	C11	N10	108.4°	107.1°
C7	C11	C12	121.6°	119.5°
C7	C8	C9	107.1°	107.0°
C7	C8	H8	126.4°	126.5°
C9	C8	H8	126.5°	126.5°
C8	C9	N10	108.4°	110.0°
C8	C9	H9	125.8°	125.0°
N10	C9	H9	125.8°	125.0°
C9	N10	C11	109.2°	109.8°
C9	N10	HN10	125.4°	125.1°
N10	C11	C12	130.1°	133.4°
C11	N10	HN10	125.3°	125.1°
C11	C12	H12	121.6°	120.2°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C2	O3	C4	179.0°	179.7°
O1	C2	O3	HO3	0.0°	0.1°
O1	C2	C4	C5	17.4°	180.0°
O1	C2	C4	C12	162.7°	0.3°
O3	C2	C4	C5	163.6°	0.3°
O3	C2	C4	C12	16.3°	179.4°
C4	C2	O3	HO3	179.0°	179.8°
C2	C4	C5	C12	179.9°	179.7°
C2	C4	C5	C6	179.3°	180.0°
C2	C4	C5	H5	0.7°	0.0°
C2	C4	C12	C11	179.7°	179.8°
C2	C4	C12	H12	0.3°	0.0°
C4	C5	C6	H5	180.0°	180.0°
C4	C5	C6	C7	0.5°	0.0°
C4	C5	C6	H6	179.5°	180.0°
C5	C4	C12	C11	0.4°	0.5°
C5	C4	C12	H12	179.6°	179.8°
C12	C4	C5	C6	0.8°	0.2°
C12	C4	C5	H5	179.2°	179.7°
C4	C12	C11	C7	0.3°	0.6°
C4	C12	C11	N10	179.9°	179.9°
C4	C12	C11	H12	180.0°	179.7°
C5	C6	C7	H6	180.0°	180.0°
C5	C6	C7	C11	0.2°	0.0°
C5	C6	C7	C8	179.8°	180.0°
H5	C5	C6	C7	179.5°	180.0°
H5	C5	C6	H6	0.5°	0.0°
C6	C7	C11	C8	179.7°	180.0°
C6	C7	C8	C9	179.4°	180.0°
C6	C7	C8	H8	0.6°	0.0°
C6	C7	C11	N10	179.7°	180.0°
C6	C7	C11	C12	0.6°	0.3°
H6	C6	C7	C11	179.9°	180.0°
H6	C6	C7	C8	0.3°	0.0°
C11	C7	C8	C9	0.2°	0.0°
C11	C7	C8	H8	179.8°	179.9°
C7	C11	N10	C9	0.3°	0.0°
C7	C11	N10	C12	179.7°	179.6°
C7	C11	C12	H12	179.7°	179.7°
C7	C11	N10	HN10	179.7°	180.0°
C7	C8	C9	H8	180.0°	180.0°
C7	C8	C9	N10	0.4°	0.0°
C7	C8	C9	H9	179.6°	180.0°
C8	C7	C11	N10	0.0°	0.0°
C8	C7	C11	C12	179.7°	179.7°
C8	C9	N10	H9	180.0°	180.0°
C8	C9	N10	C11	0.4°	0.0°
C8	C9	N10	HN10	179.6°	179.9°
H8	C8	C9	N10	179.6°	180.0°
H8	C8	C9	H9	0.4°	0.0°
C9	N10	C11	HN10	180.0°	179.9°
C9	N10	C11	C12	180.0°	179.6°
H9	C9	N10	C11	179.6°	179.9°
H9	C9	N10	HN10	0.4°	0.0°
N10	C11	C12	H12	0.1°	0.1°
C12	C11	N10	HN10	0.0°	0.4°

246704

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