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Summary Geometry Related PDB entries

N1E

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C8	C9	doub	1.37Å	1.36Å	Aromatic
C8	C7	sing	1.39Å	1.42Å	Aromatic
C9	C10	sing	1.41Å	1.42Å	Aromatic
C7	N1	doub	1.31Å	1.33Å	Aromatic
C10	C11	doub	1.40Å	1.41Å	Aromatic
C10	C6	sing	1.42Å	1.41Å	Aromatic
C11	C3	sing	1.39Å	1.37Å	Aromatic
N1	C6	sing	1.34Å	1.37Å	Aromatic
C6	C5	doub	1.41Å	1.40Å	Aromatic
C1	O1	sing	1.45Å	1.47Å
C3	C2	sing	1.48Å	1.49Å
C3	C4	doub	1.41Å	1.39Å	Aromatic
O1	C2	sing	1.35Å	1.43Å
C2	O2	doub	1.21Å	1.28Å
C5	C4	sing	1.36Å	1.36Å	Aromatic
C4	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.08Å	1.08Å
C7	H3	sing	1.08Å	1.08Å
C8	H4	sing	1.08Å	1.08Å
C1	H5	sing	1.09Å	1.10Å
C1	H6	sing	1.09Å	1.10Å
C1	H7	sing	1.09Å	1.10Å
C9	H8	sing	1.08Å	1.08Å
C11	H9	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C8	C7	119.0°	119.9°
C8	C9	C10	118.0°	118.2°
C9	C8	H4	120.5°	120.1°
C8	C9	H8	121.0°	120.9°
C8	C7	N1	124.6°	121.8°
C8	C7	H3	117.7°	119.1°
C7	C8	H4	120.5°	120.1°
C9	C10	C11	122.7°	121.2°
C9	C10	C6	119.4°	119.0°
C10	C9	H8	121.0°	120.9°
C7	N1	C6	116.7°	121.4°
N1	C7	H3	117.7°	119.1°
C11	C10	C6	117.9°	119.7°
C10	C11	C3	122.2°	119.4°
C10	C11	H9	118.9°	120.3°
C10	C6	N1	122.2°	119.7°
C10	C6	C5	119.2°	119.5°
C11	C3	C2	120.7°	119.8°
C11	C3	C4	118.7°	120.4°
C3	C11	H9	118.9°	120.3°
N1	C6	C5	118.6°	120.8°
C6	C5	C4	120.6°	120.1°
C6	C5	H2	119.7°	120.0°
C1	O1	C2	115.3°	117.0°
O1	C1	H5	109.5°	109.4°
O1	C1	H6	109.5°	109.5°
O1	C1	H7	109.5°	109.4°
C2	C3	C4	120.6°	119.8°
C3	C2	O1	106.5°	120.0°
C3	C2	O2	124.5°	120.0°
C3	C4	C5	121.4°	120.9°
C3	C4	H1	119.3°	119.5°
O1	C2	O2	128.9°	120.0°
C5	C4	H1	119.3°	119.6°
C4	C5	H2	119.7°	119.9°
H5	C1	H6	109.5°	109.5°
H5	C1	H7	109.5°	109.5°
H6	C1	H7	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C8	C7	H4	180.0°	180.0°
C8	C9	C10	H8	180.0°	180.0°
C9	C8	C7	N1	0.1°	0.0°
C8	C9	C10	C11	177.2°	180.0°
C8	C9	C10	C6	1.7°	0.1°
C9	C8	C7	H3	180.0°	180.0°
C7	C8	C9	C10	1.7°	0.0°
C8	C7	N1	H3	180.0°	180.0°
C8	C7	N1	C6	1.9°	0.0°
C7	C8	C9	H8	178.2°	179.9°
C9	C10	C11	C6	178.9°	179.9°
C9	C10	C11	C3	179.4°	180.0°
C9	C10	C6	N1	0.1°	0.1°
C9	C10	C6	C5	179.7°	180.0°
C10	C9	C8	H4	178.3°	180.0°
C9	C10	C11	H9	0.6°	0.0°
C7	N1	C6	C10	1.8°	0.0°
C7	N1	C6	C5	178.5°	179.9°
N1	C7	C8	H4	180.0°	179.9°
C10	C11	C3	H9	180.0°	180.0°
C11	C10	C6	N1	179.0°	180.0°
C11	C10	C6	C5	1.3°	0.1°
C10	C11	C3	C2	179.5°	179.9°
C10	C11	C3	C4	0.4°	0.0°
C11	C10	C9	H8	2.9°	0.0°
C6	C10	C11	C3	0.5°	0.1°
C10	C6	N1	C5	179.6°	179.9°
C10	C6	C5	C4	2.2°	0.0°
C10	C6	C5	H2	177.8°	179.9°
C6	C10	C9	H8	178.3°	179.9°
C6	C10	C11	H9	179.5°	180.0°
C11	C3	C2	C4	179.0°	180.0°
C11	C3	C2	O1	92.4°	180.0°
C11	C3	C2	O2	90.8°	0.1°
C11	C3	C4	C5	1.3°	0.0°
C11	C3	C4	H1	178.7°	179.9°
N1	C6	C5	C4	178.2°	180.0°
N1	C6	C5	H2	1.8°	0.0°
C6	N1	C7	H3	178.2°	180.0°
C6	C5	C4	C3	2.2°	0.0°
C6	C5	C4	H2	180.0°	179.9°
C6	C5	C4	H1	177.8°	179.9°
C1	O1	C2	C3	152.1°	180.0°
C1	O1	C2	O2	31.3°	0.0°
O1	C1	H5	H6	120.0°	120.0°
O1	C1	H5	H7	120.0°	119.9°
O1	C1	H6	H7	120.0°	119.9°
C3	C2	O1	O2	176.6°	179.9°
C2	C3	C4	C5	179.7°	180.0°
C2	C3	C4	H1	0.3°	0.0°
C2	C3	C11	H9	0.5°	0.0°
C4	C3	C2	O1	86.6°	0.0°
C4	C3	C2	O2	90.2°	179.9°
C3	C4	C5	H1	180.0°	179.9°
C3	C4	C5	H2	177.8°	179.9°
C4	C3	C11	H9	179.6°	180.0°
C2	O1	C1	H5	180.0°	180.0°
C2	O1	C1	H6	60.0°	60.0°
C2	O1	C1	H7	60.0°	60.0°
H1	C4	C5	H2	2.2°	0.0°
H3	C7	C8	H4	0.0°	0.1°
H4	C8	C9	H8	1.8°	0.0°
H5	C1	H6	H7	120.0°	120.1°

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