CI7

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	S02	sing	1.81Å	1.84Å
CL1	C18	sing	1.74Å	1.79Å
C18	C17	doub	1.38Å	1.38Å	Aromatic
C18	C19	sing	1.38Å	1.39Å	Aromatic
C17	C16	sing	1.38Å	1.39Å	Aromatic
S02	O03	doub	1.42Å	1.48Å
S02	O04	doub	1.42Å	1.48Å
S02	N05	sing	1.66Å	1.68Å
O07	C06	doub	1.21Å	1.19Å
N05	C06	sing	1.35Å	1.44Å
C19	C20	doub	1.38Å	1.39Å	Aromatic
C16	C15	doub	1.39Å	1.39Å	Aromatic
C06	C08	sing	1.51Å	1.53Å
C08	C09	sing	1.53Å	1.52Å
C20	C15	sing	1.39Å	1.39Å	Aromatic
C15	C14	sing	1.48Å	1.40Å
C09	C10	sing	1.51Å	1.55Å
C14	C10	sing	1.41Å	1.39Å	Aromatic
C14	N13	doub	1.32Å	1.32Å	Aromatic
C10	C11	doub	1.35Å	1.41Å	Aromatic
N13	N12	sing	1.40Å	1.38Å	Aromatic
C11	N12	sing	1.36Å	1.35Å	Aromatic
N12	C22	sing	1.40Å	1.38Å
C22	C23	doub	1.39Å	1.39Å	Aromatic
C22	C27	sing	1.39Å	1.40Å	Aromatic
C23	C24	sing	1.38Å	1.40Å	Aromatic
C27	C26	doub	1.38Å	1.42Å	Aromatic
C24	C25	doub	1.38Å	1.39Å	Aromatic
C26	C25	sing	1.38Å	1.42Å	Aromatic
C25	BR2	sing	1.89Å	2.04Å
C17	H1	sing	1.08Å	1.08Å
C20	H2	sing	1.08Å	1.08Å
C24	H3	sing	1.08Å	1.08Å
C26	H4	sing	1.08Å	1.08Å
C01	H5	sing	1.09Å	1.10Å
C01	H6	sing	1.09Å	1.10Å
C01	H7	sing	1.09Å	1.10Å
C08	H8	sing	1.09Å	1.10Å
C08	H9	sing	1.09Å	1.10Å
C09	H10	sing	1.09Å	1.10Å
C09	H11	sing	1.09Å	1.10Å
C11	H12	sing	1.08Å	1.08Å
C16	H13	sing	1.08Å	1.08Å
C19	H14	sing	1.08Å	1.08Å
C23	H15	sing	1.08Å	1.08Å
C27	H16	sing	1.08Å	1.08Å
N05	H17	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	S02	O03	111.4°	110.5°
C01	S02	O04	108.4°	110.5°
C01	S02	N05	111.4°	104.5°
S02	C01	H5	109.5°	109.5°
S02	C01	H6	109.4°	109.5°
S02	C01	H7	109.5°	109.5°
CL1	C18	C17	119.5°	119.9°
CL1	C18	C19	120.5°	119.9°
C17	C18	C19	119.9°	120.2°
C18	C17	C16	118.4°	120.1°
C18	C17	H1	120.8°	120.0°
C18	C19	C20	120.7°	120.1°
C18	C19	H14	119.6°	119.9°
C17	C16	C15	122.6°	119.8°
C16	C17	H1	120.8°	119.9°
C17	C16	H13	118.7°	120.0°
O03	S02	O04	106.0°	121.0°
O03	S02	N05	107.7°	104.3°
O04	S02	N05	111.8°	104.3°
S02	N05	C06	120.7°	120.0°
S02	N05	H17	119.7°	120.0°
O07	C06	N05	119.6°	120.0°
O07	C06	C08	123.9°	120.0°
N05	C06	C08	116.5°	120.0°
C06	N05	H17	119.7°	120.0°
C19	C20	C15	120.3°	119.9°
C19	C20	H2	119.8°	120.1°
C20	C19	H14	119.7°	120.0°
C16	C15	C20	118.0°	119.8°
C16	C15	C14	123.6°	120.1°
C15	C16	H13	118.7°	120.1°
C06	C08	C09	114.8°	109.5°
C06	C08	H8	108.1°	109.5°
C06	C08	H9	108.1°	109.5°
C08	C09	C10	115.6°	109.5°
C09	C08	H8	108.1°	109.5°
C09	C08	H9	108.1°	109.5°
C08	C09	H10	107.9°	109.5°
C08	C09	H11	107.9°	109.4°
C20	C15	C14	118.4°	120.1°
C15	C20	H2	119.8°	120.1°
C15	C14	C10	128.7°	126.0°
C15	C14	N13	123.9°	126.0°
C09	C10	C14	124.6°	126.0°
C09	C10	C11	130.1°	126.0°
C10	C09	H10	107.9°	109.5°
C10	C09	H11	107.9°	109.5°
C10	C14	N13	107.3°	108.0°
C14	C10	C11	105.3°	107.9°
C14	N13	N12	112.4°	108.2°
C10	C11	N12	110.3°	107.8°
C10	C11	H12	124.8°	126.0°
N13	N12	C11	104.6°	108.1°
N13	N12	C22	122.2°	126.0°
C11	N12	C22	133.2°	126.0°
N12	C11	H12	124.9°	126.1°
N12	C22	C23	116.9°	120.1°
N12	C22	C27	129.2°	120.1°
C23	C22	C27	113.9°	119.8°
C22	C23	C24	124.9°	119.9°
C22	C23	H15	117.6°	120.1°
C22	C27	C26	121.2°	120.0°
C22	C27	H16	119.4°	120.0°
C23	C24	C25	123.4°	120.1°
C23	C24	H3	118.3°	120.0°
C24	C23	H15	117.5°	120.0°
C27	C26	C25	124.8°	120.1°
C27	C26	H4	117.6°	119.9°
C26	C27	H16	119.4°	120.0°
C24	C25	C26	111.9°	120.1°
C24	C25	BR2	120.2°	120.0°
C25	C24	H3	118.3°	119.9°
C26	C25	BR2	127.9°	119.9°
C25	C26	H4	117.6°	120.0°
H5	C01	H6	109.4°	109.5°
H5	C01	H7	109.4°	109.5°
H6	C01	H7	109.5°	109.5°
H8	C08	H9	109.5°	109.5°
H10	C09	H11	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	S02	O03	O04	117.7°	131.5°
C01	S02	O03	N05	122.4°	111.8°
C01	S02	O04	N05	123.2°	111.7°
C01	S02	N05	C06	66.2°	65.0°
S02	C01	H5	H6	120.0°	120.0°
S02	C01	H5	H7	120.0°	120.0°
S02	C01	H6	H7	120.0°	120.0°
C01	S02	N05	H17	113.9°	115.0°
CL1	C18	C17	C19	179.1°	179.7°
CL1	C18	C17	C16	179.2°	180.0°
CL1	C18	C19	C20	179.0°	180.0°
CL1	C18	C17	H1	0.8°	0.1°
CL1	C18	C19	H14	1.0°	0.2°
C18	C17	C16	H1	180.0°	179.9°
C17	C18	C19	C20	0.1°	0.3°
C18	C17	C16	C15	0.3°	0.0°
C18	C17	C16	H13	179.7°	180.0°
C17	C18	C19	H14	179.9°	179.9°
C19	C18	C17	C16	0.1°	0.3°
C18	C19	C20	H14	180.0°	179.8°
C18	C19	C20	C15	0.7°	0.0°
C19	C18	C17	H1	179.9°	179.8°
C18	C19	C20	H2	179.3°	180.0°
C17	C16	C15	H13	180.0°	180.0°
C17	C16	C15	C20	0.8°	0.3°
C17	C16	C15	C14	179.8°	180.0°
O03	S02	O04	N05	117.1°	116.8°
O03	S02	N05	C06	171.4°	51.1°
O03	S02	C01	H5	180.0°	51.7°
O03	S02	C01	H6	60.0°	171.6°
O03	S02	C01	H7	60.0°	68.4°
O03	S02	N05	H17	8.6°	128.9°
O04	S02	N05	C06	55.3°	178.9°
O04	S02	C01	H5	63.8°	171.6°
O04	S02	C01	H6	56.2°	51.6°
O04	S02	C01	H7	176.2°	68.4°
O04	S02	N05	H17	124.6°	1.1°
S02	N05	C06	O07	0.7°	0.0°
S02	N05	C06	H17	180.0°	180.0°
S02	N05	C06	C08	179.3°	180.0°
N05	S02	C01	H5	59.7°	60.0°
N05	S02	C01	H6	179.7°	60.0°
N05	S02	C01	H7	60.3°	180.0°
O07	C06	N05	C08	179.9°	179.9°
O07	C06	C08	C09	8.6°	0.1°
O07	C06	C08	H8	112.2°	120.0°
O07	C06	C08	H9	129.4°	120.0°
O07	C06	N05	H17	179.3°	180.0°
N05	C06	C08	C09	171.4°	180.0°
N05	C06	C08	H8	67.9°	60.0°
N05	C06	C08	H9	50.6°	59.9°
C19	C20	C15	C16	1.0°	0.3°
C19	C20	C15	H2	180.0°	180.0°
C19	C20	C15	C14	180.0°	180.0°
C16	C15	C20	C14	179.0°	179.7°
C16	C15	C14	C10	23.8°	42.7°
C16	C15	C14	N13	157.4°	137.3°
C15	C16	C17	H1	179.8°	179.9°
C16	C15	C20	H2	179.0°	179.7°
C06	C08	C09	H8	120.8°	120.0°
C06	C08	C09	H9	120.8°	120.0°
C06	C08	C09	C10	158.6°	176.7°
C06	C08	H8	H9	117.6°	120.0°
C06	C08	C09	H10	37.7°	63.3°
C06	C08	C09	H11	80.5°	56.7°
C08	C06	N05	H17	0.7°	0.1°
C08	C09	C10	H10	120.9°	120.0°
C08	C09	C10	H11	120.9°	119.9°
C08	C09	C10	C14	134.3°	80.5°
C08	C09	C10	C11	47.6°	99.7°
C09	C08	H8	H9	117.6°	120.0°
C08	C09	H10	H11	117.2°	120.0°
C20	C15	C14	C10	157.3°	137.0°
C20	C15	C14	N13	21.6°	43.0°
C20	C15	C16	H13	179.2°	179.7°
C15	C20	C19	H14	179.3°	179.7°
C15	C14	C10	C09	1.7°	0.2°
C15	C14	C10	N13	179.0°	180.0°
C15	C14	C10	C11	179.8°	180.0°
C15	C14	N13	N12	179.7°	179.8°
C14	C15	C20	H2	0.0°	0.0°
C14	C15	C16	H13	0.2°	0.0°
C09	C10	C14	C11	178.5°	179.8°
C09	C10	C14	N13	179.3°	179.7°
C09	C10	C11	N12	179.2°	180.0°
C10	C09	C08	H8	80.6°	63.3°
C10	C09	C08	H9	37.8°	56.6°
C10	C09	H10	H11	117.2°	120.0°
C09	C10	C11	H12	0.9°	0.0°
C10	C14	N13	N12	0.6°	0.2°
C14	C10	C11	N12	0.8°	0.2°
C14	C10	C09	H10	104.8°	39.5°
C14	C10	C09	H11	13.4°	159.5°
C14	C10	C11	H12	179.3°	179.8°
N13	C14	C10	C11	0.8°	0.0°
C14	N13	N12	C11	0.1°	0.3°
C14	N13	N12	C22	178.8°	180.0°
C10	C11	N12	N13	0.4°	0.3°
C10	C11	N12	H12	180.0°	180.0°
C10	C11	N12	C22	179.2°	180.0°
C11	C10	C09	H10	73.3°	140.2°
C11	C10	C09	H11	168.5°	20.2°
N13	N12	C11	C22	178.8°	179.7°
N13	N12	C22	C23	23.2°	0.4°
N13	N12	C22	C27	155.6°	179.9°
N13	N12	C11	H12	179.6°	179.7°
C11	N12	C22	C23	155.4°	179.9°
C11	N12	C22	C27	25.8°	0.2°
N12	C22	C23	C27	179.0°	179.7°
N12	C22	C23	C24	179.1°	180.0°
N12	C22	C27	C26	178.8°	180.0°
C22	N12	C11	H12	0.8°	0.0°
N12	C22	C23	H15	0.9°	0.1°
N12	C22	C27	H16	1.3°	0.0°
C22	C23	C24	H15	180.0°	179.9°
C23	C22	C27	C26	0.1°	0.3°
C22	C23	C24	C25	0.2°	0.0°
C22	C23	C24	H3	179.9°	179.7°
C23	C22	C27	H16	179.9°	179.7°
C27	C22	C23	C24	0.1°	0.3°
C22	C27	C26	H16	180.0°	180.0°
C22	C27	C26	C25	0.5°	0.0°
C22	C27	C26	H4	179.5°	179.7°
C27	C22	C23	H15	179.9°	179.8°
C23	C24	C25	H3	180.0°	179.8°
C23	C24	C25	C26	0.5°	0.3°
C23	C24	C25	BR2	179.4°	179.7°
C27	C26	C25	C24	0.7°	0.3°
C27	C26	C25	H4	180.0°	179.7°
C27	C26	C25	BR2	179.2°	179.7°
C24	C25	C26	BR2	179.9°	180.0°
C24	C25	C26	H4	179.3°	180.0°
C25	C24	C23	H15	179.8°	179.9°
C26	C25	C24	H3	179.5°	180.0°
C25	C26	C27	H16	179.4°	180.0°
BR2	C25	C24	H3	0.6°	0.0°
BR2	C25	C26	H4	0.8°	0.0°
H1	C17	C16	H13	0.2°	0.1°
H2	C20	C19	H14	0.7°	0.2°
H3	C24	C23	H15	0.2°	0.1°
H4	C26	C27	H16	0.6°	0.3°
H5	C01	H6	H7	120.0°	120.0°
H8	C08	C09	H10	158.5°	56.7°
H8	C08	C09	H11	40.3°	176.7°
H9	C08	C09	H10	83.1°	176.7°
H9	C08	C09	H11	158.7°	63.3°

Release date:	2022-11-16
Definition date:	2021-11-22
Last modified:	2022-11-11
Release status:	REL
Processing site:	RCSB
Derived from:	7SVT