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Summary Geometry Related PDB entries

X67

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C10	C9	doub	1.38Å	1.42Å	Aromatic
C10	C11	sing	1.39Å	1.44Å	Aromatic
C9	C7	sing	1.39Å	1.41Å	Aromatic
O12	C11	sing	1.36Å	1.27Å
C11	C5	doub	1.40Å	1.47Å	Aromatic
C7	F8	sing	1.35Å	1.36Å
C7	C6	doub	1.38Å	1.42Å	Aromatic
C5	C6	sing	1.40Å	1.45Å	Aromatic
C5	C4	sing	1.48Å	1.38Å	Aromatic
N3	C4	doub	1.33Å	1.38Å	Aromatic
N3	C1	sing	1.33Å	1.35Å	Aromatic
C4	N13	sing	1.33Å	1.38Å	Aromatic
N2	C1	sing	1.38Å	1.35Å
C1	N16	doub	1.33Å	1.36Å	Aromatic
N13	C14	doub	1.33Å	1.38Å	Aromatic
N16	C14	sing	1.33Å	1.37Å	Aromatic
C14	N15	sing	1.38Å	1.29Å
N2	H1N2	sing	0.97Å	1.00Å
N2	H2N2	sing	0.97Å	1.00Å
C6	H6	sing	1.08Å	1.08Å
C9	H9	sing	1.08Å	1.08Å
C10	H10	sing	1.08Å	1.08Å
O12	HO12	sing	0.97Å	0.95Å
N15	H115	sing	0.97Å	1.00Å
N15	H215	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C9	C10	C11	121.2°	120.1°
C10	C9	C7	120.3°	120.3°
C10	C9	H9	119.8°	119.9°
C9	C10	H10	119.4°	119.9°
C10	C11	O12	120.7°	120.1°
C10	C11	C5	118.9°	119.8°
C11	C10	H10	119.4°	120.0°
C9	C7	F8	119.6°	119.9°
C9	C7	C6	120.3°	120.3°
C7	C9	H9	119.9°	119.9°
O12	C11	C5	120.4°	120.1°
C11	O12	HO12	109.5°	114.0°
C11	C5	C6	117.8°	119.7°
C11	C5	C4	122.3°	120.2°
F8	C7	C6	120.0°	119.8°
C7	C6	C5	121.5°	119.9°
C7	C6	H6	119.2°	120.1°
C6	C5	C4	120.0°	120.2°
C5	C6	H6	119.2°	120.0°
C5	C4	N3	120.4°	120.0°
C5	C4	N13	121.7°	120.0°
C4	N3	C1	121.9°	120.0°
N3	C4	N13	117.9°	119.9°
N3	C1	N2	119.6°	120.0°
N3	C1	N16	119.7°	120.0°
C4	N13	C14	120.6°	120.0°
N2	C1	N16	120.7°	120.0°
C1	N2	H1N2	109.5°	120.0°
C1	N2	H2N2	109.5°	120.0°
C1	N16	C14	120.4°	120.1°
N13	C14	N16	119.6°	120.0°
N13	C14	N15	120.3°	120.0°
N16	C14	N15	120.1°	120.0°
C14	N15	H115	109.5°	119.9°
C14	N15	H215	109.5°	120.0°
H1N2	N2	H2N2	109.4°	120.0°
H115	N15	H215	109.5°	120.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C9	C10	C11	H10	180.0°	179.7°
C10	C9	C7	H9	180.0°	180.0°
C9	C10	C11	O12	179.9°	180.0°
C9	C10	C11	C5	0.2°	0.5°
C10	C9	C7	F8	179.8°	180.0°
C10	C9	C7	C6	0.3°	0.1°
C11	C10	C9	C7	0.1°	0.3°
C10	C11	O12	C5	179.7°	179.5°
C10	C11	C5	C6	0.4°	0.5°
C10	C11	C5	C4	178.9°	179.8°
C11	C10	C9	H9	179.9°	179.7°
C10	C11	O12	HO12	180.0°	90.0°
C9	C7	F8	C6	179.5°	179.9°
C9	C7	C6	C5	0.1°	0.0°
C9	C7	C6	H6	179.9°	180.0°
C7	C9	C10	H10	179.9°	179.9°
O12	C11	C5	C6	179.9°	179.9°
O12	C11	C5	C4	0.8°	0.3°
O12	C11	C10	H10	0.1°	0.3°
C11	C5	C6	C7	0.2°	0.2°
C11	C5	C6	C4	179.3°	179.8°
C11	C5	C4	N3	0.0°	179.7°
C11	C5	C4	N13	179.2°	0.2°
C11	C5	C6	H6	179.8°	179.8°
C5	C11	C10	H10	179.8°	179.7°
C5	C11	O12	HO12	0.3°	90.6°
F8	C7	C6	C5	179.7°	179.9°
F8	C7	C6	H6	0.3°	0.1°
F8	C7	C9	H9	0.2°	0.1°
C7	C6	C5	H6	180.0°	180.0°
C7	C6	C5	C4	179.1°	180.0°
C6	C7	C9	H9	179.7°	180.0°
C6	C5	C4	N3	179.3°	0.0°
C6	C5	C4	N13	0.1°	180.0°
C5	C4	N3	N13	179.3°	180.0°
C5	C4	N3	C1	179.2°	180.0°
C5	C4	N13	C14	179.1°	180.0°
C4	C5	C6	H6	0.9°	0.0°
C4	N3	C1	N2	179.8°	179.7°
C4	N3	C1	N16	0.1°	0.0°
N3	C4	N13	C14	0.2°	0.0°
C1	N3	C4	N13	0.1°	0.0°
N3	C1	N2	N16	179.8°	179.7°
N3	C1	N16	C14	0.1°	0.1°
N3	C1	N2	H1N2	0.0°	179.6°
N3	C1	N2	H2N2	120.0°	0.3°
C4	N13	C14	N16	0.1°	0.0°
C4	N13	C14	N15	180.0°	180.0°
N2	C1	N16	C14	179.9°	179.8°
C1	N2	H1N2	H2N2	120.0°	179.9°
C1	N16	C14	N13	0.1°	0.1°
C1	N16	C14	N15	179.8°	180.0°
N16	C1	N2	H1N2	179.7°	0.0°
N16	C1	N2	H2N2	59.8°	179.9°
N13	C14	N16	N15	179.9°	179.9°
N13	C14	N15	H115	0.0°	0.0°
N13	C14	N15	H215	120.0°	180.0°
N16	C14	N15	H115	179.9°	179.9°
N16	C14	N15	H215	59.9°	0.0°
C14	N15	H115	H215	120.0°	180.0°
H9	C9	C10	H10	0.1°	0.0°

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