CUS

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O2	CU1	sing	0.00Å	4.15Å
O2	C8	sing	0.00Å	1.22Å
C8	O3	doub	0.00Å	1.46Å
C8	C9	sing	0.00Å	1.50Å
C9	N1	sing	0.00Å	1.47Å
C9	H9	sing	0.00Å	1.10Å
C9	C10	sing	0.00Å	1.53Å
C10	H101	sing	0.00Å	1.10Å
C10	H102	sing	0.00Å	1.10Å
C10	C11	sing	0.00Å	1.52Å
C11	H11	sing	0.00Å	1.10Å
C11	C16	sing	0.00Å	1.52Å
C11	C12	sing	0.00Å	1.53Å
C16	H161	sing	0.00Å	1.10Å
C16	H162	sing	0.00Å	1.10Å
C16	H163	sing	0.00Å	1.10Å
C12	H121	sing	0.00Å	1.10Å
C12	H122	sing	0.00Å	1.10Å
C12	H123	sing	0.00Å	1.10Å
N1	C1	doub	0.00Å	1.26Å
N1	CU1	sing	0.00Å	2.05Å
CU1	O1	sing	0.00Å	2.01Å
C1	C2	sing	0.00Å	1.48Å
C1	H1	sing	0.00Å	1.08Å
C2	C3	doub	0.00Å	1.40Å	Aromatic
C2	C7	sing	0.00Å	1.40Å	Aromatic
C7	O1	sing	0.00Å	1.37Å
C7	C6	doub	0.00Å	1.40Å	Aromatic
C6	C5	sing	0.00Å	1.39Å	Aromatic
C6	H6	sing	0.00Å	1.08Å
C5	H5	sing	0.00Å	1.08Å
C5	C4	doub	0.00Å	1.40Å	Aromatic
C4	H4	sing	0.00Å	1.08Å
C4	C3	sing	0.00Å	1.39Å	Aromatic
C3	H3	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CU1	O2	C8	15.8°	90.0°
O2	CU1	N1	58.9°	90.0°
O2	CU1	O1	151.2°	90.0°
O2	C8	O3	120.7°	90.0°
O2	C8	C9	123.1°	90.0°
O3	C8	C9	116.2°	90.0°
C8	C9	N1	109.1°	90.0°
C8	C9	H9	112.2°	90.0°
C8	C9	C10	106.1°	90.0°
N1	C9	H9	112.7°	90.0°
N1	C9	C10	104.4°	90.0°
C9	N1	C1	120.3°	90.0°
C9	N1	CU1	117.2°	90.0°
H9	C9	C10	111.9°	90.0°
C9	C10	H101	107.9°	90.0°
C9	C10	H102	107.9°	90.0°
C9	C10	C11	115.7°	90.0°
H101	C10	H102	109.5°	90.0°
H101	C10	C11	107.9°	90.0°
H102	C10	C11	107.9°	90.0°
C10	C11	H11	109.0°	90.0°
C10	C11	C16	109.1°	90.0°
C10	C11	C12	110.9°	90.0°
H11	C11	C16	109.1°	90.0°
H11	C11	C12	109.0°	90.0°
C16	C11	C12	109.8°	90.0°
C11	C16	H161	109.5°	90.0°
C11	C16	H162	109.5°	90.0°
C11	C16	H163	109.5°	90.0°
C11	C12	H121	109.5°	90.0°
C11	C12	H122	109.5°	90.0°
C11	C12	H123	109.5°	90.0°
H161	C16	H162	109.5°	90.0°
H161	C16	H163	109.5°	90.0°
H162	C16	H163	109.5°	90.0°
H121	C12	H122	109.5°	90.0°
H121	C12	H123	109.5°	90.0°
H122	C12	H123	109.5°	90.0°
C1	N1	CU1	122.4°	90.0°
N1	C1	C2	127.9°	90.0°
N1	C1	H1	116.1°	90.0°
N1	CU1	O1	95.0°	90.0°
CU1	O1	C7	123.8°	90.0°
C2	C1	H1	116.0°	90.0°
C1	C2	C3	114.8°	90.0°
C1	C2	C7	126.2°	90.0°
C3	C2	C7	118.9°	90.0°
C2	C3	C4	121.0°	90.0°
C2	C3	H3	119.5°	90.0°
C2	C7	O1	124.4°	90.0°
C2	C7	C6	120.3°	90.0°
O1	C7	C6	115.3°	90.0°
C7	C6	C5	120.0°	90.0°
C7	C6	H6	120.0°	90.0°
C5	C6	H6	120.0°	90.0°
C6	C5	H5	120.0°	90.0°
C6	C5	C4	120.0°	90.0°
H5	C5	C4	120.0°	90.0°
C5	C4	H4	120.1°	90.0°
C5	C4	C3	119.8°	90.0°
H4	C4	C3	120.1°	90.0°
C4	C3	H3	119.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CU1	O2	C8	O3	31.6°	90.0°
CU1	O2	C8	C9	149.3°	90.0°
O2	CU1	N1	C9	17.1°	90.0°
O2	CU1	N1	C1	164.3°	90.0°
O2	CU1	N1	O1	167.1°	90.0°
O2	CU1	O1	C7	18.7°	90.0°
O2	C8	O3	C9	179.1°	90.0°
O2	C8	C9	N1	155.2°	90.0°
O2	C8	C9	H9	29.5°	90.0°
O2	C8	C9	C10	92.9°	90.0°
C8	O2	CU1	N1	34.8°	90.0°
C8	O2	CU1	O1	62.3°	90.0°
O3	C8	C9	N1	25.7°	90.0°
O3	C8	C9	H9	151.4°	90.0°
O3	C8	C9	C10	86.2°	90.0°
C8	C9	N1	H9	125.4°	90.0°
C8	C9	N1	C10	113.0°	90.0°
C8	C9	H9	C10	119.1°	90.0°
C8	C9	C10	H101	136.8°	90.0°
C8	C9	C10	H102	18.6°	90.0°
C8	C9	C10	C11	102.3°	90.0°
C8	C9	N1	C1	159.7°	90.0°
C8	C9	N1	CU1	21.7°	90.0°
N1	C9	H9	C10	117.3°	90.0°
N1	C9	C10	H101	21.7°	90.0°
N1	C9	C10	H102	96.5°	90.0°
N1	C9	C10	C11	142.6°	90.0°
C9	N1	C1	CU1	178.6°	90.0°
C9	N1	CU1	O1	175.8°	90.0°
C9	N1	C1	C2	178.4°	90.0°
C9	N1	C1	H1	1.6°	90.0°
H9	C9	C10	H101	100.5°	90.0°
H9	C9	C10	H102	141.3°	90.0°
H9	C9	C10	C11	20.4°	90.0°
H9	C9	N1	C1	34.3°	90.0°
H9	C9	N1	CU1	147.1°	90.0°
C9	C10	H101	H102	117.2°	90.0°
C9	C10	H101	C11	125.6°	90.0°
C9	C10	H102	C11	125.6°	90.0°
C9	C10	C11	H11	1.3°	90.0°
C9	C10	C11	C16	117.7°	90.0°
C9	C10	C11	C12	121.3°	90.0°
C10	C9	N1	C1	87.3°	90.0°
C10	C9	N1	CU1	91.3°	90.0°
H101	C10	H102	C11	117.2°	90.0°
H101	C10	C11	H11	122.2°	90.0°
H101	C10	C11	C16	3.2°	90.0°
H101	C10	C11	C12	117.8°	90.0°
H102	C10	C11	H11	119.5°	90.0°
H102	C10	C11	C16	121.4°	90.0°
H102	C10	C11	C12	0.4°	90.0°
C10	C11	H11	C16	119.1°	90.0°
C10	C11	H11	C12	121.1°	90.0°
C10	C11	C16	C12	121.7°	90.0°
C10	C11	C16	H161	180.0°	90.0°
C10	C11	C16	H162	60.0°	90.0°
C10	C11	C16	H163	60.0°	90.0°
C10	C11	C12	H121	180.0°	90.0°
C10	C11	C12	H122	60.0°	90.0°
C10	C11	C12	H123	60.0°	90.0°
H11	C11	C16	C12	119.3°	90.0°
H11	C11	C16	H161	61.0°	90.0°
H11	C11	C16	H162	59.0°	90.0°
H11	C11	C16	H163	179.0°	90.0°
H11	C11	C12	H121	60.0°	90.0°
H11	C11	C12	H122	179.9°	90.0°
H11	C11	C12	H123	60.0°	90.0°
C11	C16	H161	H162	120.0°	90.0°
C11	C16	H161	H163	120.0°	90.0°
C11	C16	H162	H163	120.0°	90.0°
C16	C11	C12	H121	59.4°	90.0°
C16	C11	C12	H122	60.7°	90.0°
C16	C11	C12	H123	179.4°	90.0°
C12	C11	C16	H161	58.3°	90.0°
C12	C11	C16	H162	178.3°	90.0°
C12	C11	C16	H163	61.7°	90.0°
C11	C12	H121	H122	120.0°	90.0°
C11	C12	H121	H123	120.0°	90.0°
C11	C12	H122	H123	120.0°	90.0°
H161	C16	H162	H163	120.0°	90.0°
H121	C12	H122	H123	120.0°	90.0°
C1	N1	CU1	O1	2.8°	90.0°
N1	C1	C2	H1	180.0°	90.0°
N1	C1	C2	C3	177.6°	90.0°
N1	C1	C2	C7	2.1°	90.0°
CU1	N1	C1	C2	0.1°	90.0°
CU1	N1	C1	H1	179.9°	90.0°
N1	CU1	O1	C7	4.7°	90.0°
CU1	O1	C7	C2	4.0°	90.0°
CU1	O1	C7	C6	175.8°	90.0°
C1	C2	C3	C7	179.8°	90.0°
C1	C2	C7	O1	0.1°	90.0°
C1	C2	C7	C6	179.8°	90.0°
C1	C2	C3	C4	179.6°	90.0°
C1	C2	C3	H3	0.4°	90.0°
H1	C1	C2	C3	2.4°	90.0°
H1	C1	C2	C7	177.9°	90.0°
C3	C2	C7	O1	179.8°	90.0°
C3	C2	C7	C6	0.0°	90.0°
C2	C3	C4	C5	0.1°	90.0°
C2	C3	C4	H4	179.8°	90.0°
C2	C3	C4	H3	180.0°	90.0°
C2	C7	O1	C6	179.9°	90.0°
C2	C7	C6	C5	0.3°	90.0°
C2	C7	C6	H6	179.7°	90.0°
C7	C2	C3	C4	0.2°	90.0°
C7	C2	C3	H3	179.8°	90.0°
O1	C7	C6	C5	179.5°	90.0°
O1	C7	C6	H6	0.5°	90.0°
C7	C6	C5	H6	180.0°	90.0°
C7	C6	C5	H5	179.6°	90.0°
C7	C6	C5	C4	0.4°	90.0°
C6	C5	H5	C4	180.0°	90.0°
C6	C5	C4	H4	179.8°	90.0°
C6	C5	C4	C3	0.2°	90.0°
H6	C6	C5	H5	0.4°	90.0°
H6	C6	C5	C4	179.6°	90.0°
H5	C5	C4	H4	0.2°	90.0°
H5	C5	C4	C3	179.8°	90.0°
C5	C4	H4	C3	180.0°	90.0°
C5	C4	C3	H3	179.9°	90.0°
H4	C4	C3	H3	0.1°	90.0°

Definition date:	2007-02-15
Last modified:	2023-09-23
Release status:	REL
Processing site:	RCSB