T9O

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N16	C9	doub	1.30Å	1.26Å
O8	C2	sing	1.34Å	1.40Å
C19	C17	sing	1.53Å	1.51Å
C9	C18	sing	1.51Å	1.53Å
C9	C1	sing	1.47Å	1.54Å
C2	C1	doub	1.37Å	1.31Å
C2	C3	sing	1.50Å	1.52Å
C18	C17	sing	1.53Å	1.52Å
C1	C6	sing	1.47Å	1.54Å
C3	C4	sing	1.53Å	1.53Å
C6	O7	doub	1.21Å	1.19Å
C6	C5	sing	1.51Å	1.54Å
C4	C5	sing	1.53Å	1.53Å
C4	C10	sing	1.53Å	1.53Å
C15	C14	sing	1.53Å	1.53Å
C12	C11	sing	1.53Å	1.53Å
S13	C11	sing	1.81Å	1.82Å
S13	C14	sing	1.81Å	1.82Å
C10	C11	sing	1.53Å	1.53Å
C10	H1	sing	1.09Å	1.10Å
C10	H2	sing	1.09Å	1.10Å
C15	H3	sing	1.09Å	1.10Å
C15	H4	sing	1.09Å	1.10Å
C15	H5	sing	1.09Å	1.10Å
C17	H6	sing	1.09Å	1.10Å
C17	H7	sing	1.09Å	1.10Å
C3	H10	sing	1.09Å	1.10Å
C3	H11	sing	1.09Å	1.10Å
C4	H12	sing	1.09Å	1.10Å
C5	H13	sing	1.09Å	1.10Å
C5	H14	sing	1.09Å	1.10Å
C11	H15	sing	1.09Å	1.10Å
C12	H16	sing	1.09Å	1.10Å
C12	H17	sing	1.09Å	1.10Å
C12	H18	sing	1.09Å	1.10Å
C14	H19	sing	1.09Å	1.10Å
C14	H20	sing	1.09Å	1.10Å
C18	H21	sing	1.09Å	1.10Å
C18	H22	sing	1.09Å	1.10Å
C19	H23	sing	1.09Å	1.10Å
C19	H24	sing	1.09Å	1.10Å
C19	H25	sing	1.09Å	1.10Å
N16	H26	sing	0.97Å	1.00Å
O8	H27	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N16	C9	C18	116.9°	120.0°
N16	C9	C1	121.6°	120.0°
C9	N16	H26	112.0°	119.9°
O8	C2	C1	120.6°	118.7°
O8	C2	C3	118.7°	118.8°
C2	O8	H27	109.5°	117.0°
C19	C17	C18	106.1°	109.5°
C19	C17	H6	110.3°	109.5°
C19	C17	H7	110.3°	109.5°
C17	C19	H23	109.5°	109.5°
C17	C19	H24	109.5°	109.5°
C17	C19	H25	109.5°	109.5°
C18	C9	C1	121.5°	120.0°
C9	C18	C17	106.4°	109.5°
C9	C18	H21	110.3°	109.5°
C9	C18	H22	110.3°	109.5°
C9	C1	C2	119.3°	119.9°
C9	C1	C6	123.0°	119.9°
C1	C2	C3	118.9°	122.5°
C2	C1	C6	116.6°	120.1°
C2	C3	C4	112.2°	111.1°
C2	C3	H10	108.8°	109.1°
C2	C3	H11	108.8°	109.1°
C18	C17	H6	110.3°	109.5°
C18	C17	H7	110.3°	109.5°
C17	C18	H21	110.2°	109.5°
C17	C18	H22	110.2°	109.5°
C1	C6	O7	122.5°	121.2°
C1	C6	C5	121.0°	117.6°
C3	C4	C5	111.8°	109.3°
C3	C4	C10	107.9°	109.5°
C4	C3	H10	108.8°	109.2°
C4	C3	H11	108.8°	109.2°
C3	C4	H12	110.5°	109.6°
O7	C6	C5	116.5°	121.2°
C6	C5	C4	115.9°	107.5°
C6	C5	H13	107.8°	109.8°
C6	C5	H14	107.8°	109.9°
C5	C4	C10	105.5°	109.5°
C5	C4	H12	110.4°	109.5°
C4	C5	H13	107.9°	109.9°
C4	C5	H14	107.9°	109.8°
C4	C10	C11	116.5°	109.4°
C4	C10	H1	107.7°	109.5°
C4	C10	H2	107.6°	109.5°
C10	C4	H12	110.5°	109.5°
C15	C14	S13	109.6°	109.4°
C14	C15	H3	109.5°	109.5°
C14	C15	H4	109.5°	109.5°
C14	C15	H5	109.5°	109.4°
C15	C14	H19	109.4°	109.5°
C15	C14	H20	109.4°	109.5°
C12	C11	S13	110.1°	109.5°
C12	C11	C10	113.0°	109.5°
C12	C11	H15	109.7°	109.5°
C11	C12	H16	109.5°	109.5°
C11	C12	H17	109.4°	109.5°
C11	C12	H18	109.5°	109.5°
C11	S13	C14	109.4°	103.0°
S13	C11	C10	107.7°	109.5°
S13	C11	H15	106.4°	109.5°
S13	C14	H19	109.4°	109.5°
S13	C14	H20	109.4°	109.4°
C11	C10	H1	107.7°	109.4°
C11	C10	H2	107.7°	109.5°
C10	C11	H15	109.6°	109.5°
H1	C10	H2	109.5°	109.5°
H3	C15	H4	109.4°	109.5°
H3	C15	H5	109.5°	109.4°
H4	C15	H5	109.5°	109.5°
H6	C17	H7	109.4°	109.4°
H10	C3	H11	109.5°	109.1°
H13	C5	H14	109.5°	109.8°
H16	C12	H17	109.5°	109.4°
H16	C12	H18	109.4°	109.5°
H17	C12	H18	109.5°	109.5°
H19	C14	H20	109.5°	109.5°
H21	C18	H22	109.5°	109.4°
H23	C19	H24	109.5°	109.5°
H23	C19	H25	109.5°	109.5°
H24	C19	H25	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N16	C9	C18	C1	179.7°	180.0°
N16	C9	C1	C2	12.1°	75.4°
N16	C9	C18	C17	122.7°	5.1°
N16	C9	C1	C6	154.9°	104.9°
N16	C9	C18	H21	3.2°	114.9°
N16	C9	C18	H22	117.8°	125.2°
O8	C2	C1	C9	31.2°	0.9°
O8	C2	C1	C3	164.4°	180.0°
O8	C2	C1	C6	136.7°	179.5°
O8	C2	C3	C4	107.7°	158.0°
O8	C2	C3	H10	12.7°	37.6°
O8	C2	C3	H11	131.9°	81.6°
C19	C17	C18	C9	87.7°	180.0°
C19	C17	C18	H6	119.5°	120.0°
C19	C17	C18	H7	119.5°	120.0°
C19	C17	H6	H7	121.5°	120.0°
C19	C17	C18	H21	31.8°	60.0°
C19	C17	C18	H22	152.7°	60.0°
C17	C19	H23	H24	120.0°	120.0°
C17	C19	H23	H25	120.0°	120.0°
C17	C19	H24	H25	120.0°	120.0°
C18	C9	C1	C2	167.5°	104.6°
C9	C18	C17	H21	119.5°	120.0°
C9	C18	C17	H22	119.5°	120.0°
C18	C9	C1	C6	25.4°	75.1°
C9	C18	C17	H6	31.8°	60.0°
C9	C18	C17	H7	152.8°	60.0°
C9	C18	H21	H22	121.5°	120.0°
C18	C9	N16	H26	179.6°	174.9°
C9	C1	C2	C6	167.9°	179.7°
C9	C1	C2	C3	164.4°	179.1°
C1	C9	C18	C17	56.9°	174.9°
C9	C1	C6	O7	16.6°	12.1°
C9	C1	C6	C5	163.2°	167.9°
C1	C9	C18	H21	176.4°	65.1°
C1	C9	C18	H22	62.6°	54.9°
C1	C9	N16	H26	0.0°	5.1°
C1	C2	C3	C4	57.0°	22.0°
C2	C1	C6	O7	176.0°	168.2°
C2	C1	C6	C5	4.2°	11.7°
C1	C2	C3	H10	177.4°	142.5°
C1	C2	C3	H11	63.4°	98.4°
C1	C2	O8	H27	180.0°	5.0°
C3	C2	C1	C6	27.7°	0.5°
C2	C3	C4	H10	120.4°	120.4°
C2	C3	C4	H11	120.4°	120.4°
C2	C3	C4	C5	49.7°	53.4°
C2	C3	C4	C10	165.3°	173.3°
C2	C3	H10	H11	118.7°	119.2°
C2	C3	C4	H12	73.8°	66.6°
C3	C2	O8	H27	15.6°	175.0°
C18	C17	H6	H7	121.5°	120.0°
C17	C18	H21	H22	121.4°	120.0°
C18	C17	C19	H23	180.0°	60.0°
C18	C17	C19	H24	60.0°	60.0°
C18	C17	C19	H25	60.0°	180.0°
C1	C6	O7	C5	179.8°	180.0°
C1	C6	C5	C4	7.1°	42.6°
C1	C6	C5	H13	128.0°	162.2°
C1	C6	C5	H14	113.8°	76.9°
C3	C4	C5	C6	20.3°	63.2°
C3	C4	C5	C10	117.0°	119.9°
C3	C4	C5	H12	123.5°	120.0°
C3	C4	C10	H12	120.9°	120.1°
C3	C4	C10	C11	104.6°	65.9°
C3	C4	C10	H1	16.4°	54.0°
C3	C4	C10	H2	134.4°	174.1°
C4	C3	H10	H11	118.8°	119.2°
C3	C4	C5	H13	100.6°	177.3°
C3	C4	C5	H14	141.2°	56.4°
O7	C6	C5	C4	173.1°	137.4°
O7	C6	C5	H13	52.2°	17.8°
O7	C6	C5	H14	66.0°	103.1°
C6	C5	C4	H13	120.9°	119.5°
C6	C5	C4	H14	120.9°	119.5°
C6	C5	C4	C10	137.3°	176.9°
C6	C5	C4	H12	103.2°	56.8°
C6	C5	H13	H14	117.1°	121.0°
C5	C4	C10	H12	119.4°	120.1°
C5	C4	C10	C11	135.7°	174.3°
C5	C4	C10	H1	103.3°	65.7°
C5	C4	C10	H2	14.7°	54.3°
C5	C4	C3	H10	170.1°	173.8°
C5	C4	C3	H11	70.7°	67.0°
C4	C5	H13	H14	117.1°	121.0°
C4	C10	C11	C12	5.0°	174.9°
C4	C10	C11	S13	116.9°	65.1°
C4	C10	C11	H1	121.0°	120.0°
C4	C10	C11	H2	121.0°	120.0°
C4	C10	H1	H2	116.8°	120.1°
C10	C4	C3	H10	74.3°	66.3°
C10	C4	C3	H11	44.9°	52.9°
C10	C4	C5	H13	16.4°	57.4°
C10	C4	C5	H14	101.7°	63.6°
C4	C10	C11	H15	127.7°	54.9°
C15	C14	S13	C11	111.3°	180.0°
C15	C14	S13	H19	120.0°	120.0°
C15	C14	S13	H20	120.0°	120.0°
C14	C15	H3	H4	120.0°	120.0°
C14	C15	H3	H5	120.0°	119.9°
C14	C15	H4	H5	120.0°	119.9°
C15	C14	H19	H20	120.0°	120.1°
C12	C11	S13	C10	123.7°	120.0°
C12	C11	S13	H15	118.8°	120.0°
C12	C11	S13	C14	78.6°	65.0°
C12	C11	C10	H15	122.7°	120.0°
C12	C11	C10	H1	126.0°	54.9°
C12	C11	C10	H2	116.0°	65.0°
C11	C12	H16	H17	120.0°	120.0°
C11	C12	H16	H18	120.0°	120.0°
C11	C12	H17	H18	120.0°	120.0°
S13	C11	C10	H15	115.4°	120.0°
S13	C11	C10	H1	4.1°	174.9°
S13	C11	C10	H2	122.1°	54.9°
S13	C11	C12	H16	180.0°	60.0°
S13	C11	C12	H17	60.0°	180.0°
S13	C11	C12	H18	60.0°	60.0°
C11	S13	C14	H19	8.7°	60.0°
C11	S13	C14	H20	128.7°	60.0°
C14	S13	C11	C10	157.7°	175.0°
S13	C14	C15	H3	180.0°	60.1°
S13	C14	C15	H4	60.0°	60.0°
S13	C14	C15	H5	60.0°	180.0°
C14	S13	C11	H15	40.2°	55.0°
S13	C14	H19	H20	119.9°	120.0°
C11	C10	H1	H2	116.8°	120.0°
C11	C10	C4	H12	16.3°	54.2°
C10	C11	C12	H16	59.4°	180.0°
C10	C11	C12	H17	60.6°	60.0°
C10	C11	C12	H18	179.4°	60.0°
H1	C10	C4	H12	137.3°	174.2°
H1	C10	C11	H15	111.3°	65.1°
H2	C10	C4	H12	104.7°	65.8°
H2	C10	C11	H15	6.7°	174.9°
H3	C15	H4	H5	120.0°	120.0°
H3	C15	C14	H19	60.0°	59.9°
H3	C15	C14	H20	60.0°	180.0°
H4	C15	C14	H19	60.0°	180.0°
H4	C15	C14	H20	180.0°	59.9°
H5	C15	C14	H19	180.0°	60.0°
H5	C15	C14	H20	60.0°	60.0°
H6	C17	C18	H21	151.3°	60.0°
H6	C17	C18	H22	87.8°	180.0°
H6	C17	C19	H23	60.5°	180.0°
H6	C17	C19	H24	59.5°	60.0°
H6	C17	C19	H25	179.5°	60.0°
H7	C17	C18	H21	87.7°	180.0°
H7	C17	C18	H22	33.2°	60.0°
H7	C17	C19	H23	60.5°	60.0°
H7	C17	C19	H24	179.5°	180.0°
H7	C17	C19	H25	59.5°	60.0°
H10	C3	C4	H12	46.6°	53.8°
H11	C3	C4	H12	165.8°	173.0°
H12	C4	C5	H13	135.9°	62.7°
H12	C4	C5	H14	17.7°	176.4°
H15	C11	C12	H16	63.2°	60.0°
H15	C11	C12	H17	176.8°	60.0°
H15	C11	C12	H18	56.8°	NaN°
H16	C12	H17	H18	120.0°	120.0°
H23	C19	H24	H25	120.0°	120.0°

Release date:	2023-12-20
Definition date:	2023-04-20
Last modified:	2023-12-15
Release status:	REL
Processing site:	PDBJ
Derived from:	8HZU