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Summary Geometry Related PDB entries

EC0

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C15	C16	sing	1.39Å	1.38Å	Aromatic
C15	C14	doub	1.37Å	1.38Å	Aromatic
C16	N17	doub	1.31Å	1.32Å	Aromatic
C14	C11	sing	1.41Å	1.39Å	Aromatic
N17	C12	sing	1.34Å	1.32Å	Aromatic
O2	N18	sing	1.22Å	1.19Å
C11	C12	doub	1.42Å	1.39Å	Aromatic
C11	C10	sing	1.40Å	1.40Å	Aromatic
C12	C13	sing	1.41Å	1.39Å	Aromatic
C10	N18	sing	1.48Å	1.46Å
C10	C9	doub	1.36Å	1.39Å	Aromatic
O19	C13	sing	1.36Å	1.40Å
N18	O1	doub	1.22Å	1.18Å
C13	C8	doub	1.38Å	1.39Å	Aromatic
C9	C8	sing	1.39Å	1.38Å	Aromatic
C8	CL7	sing	1.74Å	1.79Å
C14	H1	sing	1.08Å	1.08Å
C15	H2	sing	1.08Å	1.08Å
C16	H3	sing	1.08Å	1.08Å
C9	H4	sing	1.08Å	1.08Å
O19	H5	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C16	C15	C14	120.1°	119.9°
C15	C16	N17	119.3°	121.7°
C16	C15	H2	119.9°	120.1°
C15	C16	H3	120.3°	119.1°
C15	C14	C11	120.0°	118.2°
C15	C14	H1	120.0°	121.0°
C14	C15	H2	120.0°	120.0°
C16	N17	C12	121.4°	121.4°
N17	C16	H3	120.3°	119.2°
C14	C11	C12	116.0°	118.9°
C14	C11	C10	125.2°	121.3°
C11	C14	H1	120.0°	120.9°
N17	C12	C11	123.1°	119.9°
N17	C12	C13	115.4°	121.0°
O2	N18	C10	122.6°	120.0°
O2	N18	O1	118.9°	120.1°
C12	C11	C10	118.8°	119.7°
C11	C12	C13	121.5°	119.1°
C11	C10	N18	124.6°	120.0°
C11	C10	C9	119.3°	119.9°
C12	C13	O19	118.0°	120.3°
C12	C13	C8	119.3°	119.5°
N18	C10	C9	116.1°	120.1°
C10	N18	O1	118.4°	119.9°
C10	C9	C8	121.6°	120.9°
C10	C9	H4	119.2°	119.6°
O19	C13	C8	122.7°	120.2°
C13	O19	H5	109.5°	113.9°
C13	C8	C9	119.5°	120.9°
C13	C8	CL7	121.3°	119.6°
C9	C8	CL7	119.2°	119.6°
C8	C9	H4	119.2°	119.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C16	C15	C14	H2	180.0°	179.9°
C15	C16	N17	H3	180.0°	180.0°
C16	C15	C14	C11	0.3°	0.1°
C15	C16	N17	C12	0.6°	0.0°
C16	C15	C14	H1	179.7°	180.0°
C14	C15	C16	N17	0.6°	0.0°
C15	C14	C11	H1	180.0°	179.9°
C15	C14	C11	C12	0.1°	0.0°
C15	C14	C11	C10	179.9°	180.0°
C14	C15	C16	H3	179.4°	179.9°
C16	N17	C12	C11	0.2°	0.1°
C16	N17	C12	C13	179.1°	180.0°
N17	C16	C15	H2	179.4°	179.9°
C14	C11	C12	N17	0.2°	0.0°
C14	C11	C12	C10	179.8°	180.0°
C14	C11	C12	C13	179.4°	180.0°
C14	C11	C10	N18	1.1°	0.1°
C14	C11	C10	C9	179.6°	179.8°
C11	C14	C15	H2	179.7°	180.0°
N17	C12	C11	C13	179.2°	179.9°
N17	C12	C11	C10	179.9°	180.0°
N17	C12	C13	O19	1.0°	0.0°
N17	C12	C13	C8	179.7°	180.0°
C12	N17	C16	H3	179.4°	180.0°
O2	N18	C10	C11	22.4°	38.0°
O2	N18	C10	O1	177.4°	180.0°
O2	N18	C10	C9	156.3°	142.3°
C12	C11	C10	N18	179.2°	179.9°
C12	C11	C10	C9	0.6°	0.2°
C11	C12	C13	O19	179.7°	179.9°
C11	C12	C13	C8	1.0°	0.0°
C12	C11	C14	H1	179.9°	180.0°
C10	C11	C12	C13	0.8°	0.0°
C11	C10	N18	C9	178.6°	179.7°
C11	C10	N18	O1	160.2°	142.1°
C11	C10	C9	C8	0.5°	0.5°
C10	C11	C14	H1	0.1°	0.0°
C11	C10	C9	H4	179.5°	179.8°
C12	C13	O19	C8	178.7°	180.0°
C12	C13	C8	C9	0.9°	0.2°
C12	C13	C8	CL7	179.2°	180.0°
C12	C13	O19	H5	180.0°	90.0°
N18	C10	C9	C8	179.2°	179.8°
N18	C10	C9	H4	0.8°	0.1°
C9	C10	N18	O1	21.2°	37.6°
C10	C9	C8	C13	0.7°	0.5°
C10	C9	C8	H4	180.0°	179.7°
C10	C9	C8	CL7	179.1°	179.8°
O19	C13	C8	C9	179.6°	179.8°
O19	C13	C8	CL7	2.1°	0.1°
C13	C8	C9	CL7	178.4°	179.7°
C13	C8	C9	H4	179.3°	179.8°
C8	C13	O19	H5	1.3°	90.1°
CL7	C8	C9	H4	0.9°	0.0°
H1	C14	C15	H2	0.2°	0.1°
H2	C15	C16	H3	0.6°	0.0°

223532

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