T5Z

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C12	sing	1.53Å	1.54Å
C11	N	sing	1.46Å	1.45Å
C12	S	sing	1.81Å	1.81Å
N	C10	sing	1.35Å	1.33Å
O2	C10	doub	1.21Å	1.23Å
C	C1	sing	1.53Å	1.52Å
C10	C1	sing	1.51Å	1.52Å
C1	O	sing	1.43Å	1.43Å
C1	C9	sing	1.53Å	1.52Å
O	C2	sing	1.36Å	1.39Å
C2	C3	doub	1.39Å	1.41Å	Aromatic
C2	C8	sing	1.39Å	1.39Å	Aromatic
C3	C4	sing	1.39Å	1.39Å	Aromatic
C8	C7	doub	1.38Å	1.38Å	Aromatic
C5	O1	sing	1.43Å	1.43Å
C4	O1	sing	1.36Å	1.37Å
C4	C6	doub	1.39Å	1.39Å	Aromatic
C7	C6	sing	1.38Å	1.39Å	Aromatic
C6	BR	sing	1.89Å	1.87Å
C3	H1	sing	1.08Å	1.08Å
C5	H2	sing	1.09Å	1.10Å
C5	H3	sing	1.09Å	1.10Å
C5	H4	sing	1.09Å	1.10Å
C11	H5	sing	1.09Å	1.10Å
C11	H6	sing	1.09Å	1.10Å
N	H7	sing	0.97Å	1.00Å
C	H8	sing	1.09Å	1.10Å
C	H9	sing	1.09Å	1.10Å
C	H10	sing	1.09Å	1.10Å
C12	H11	sing	1.09Å	1.10Å
C12	H12	sing	1.09Å	1.10Å
C7	H13	sing	1.08Å	1.08Å
C8	H14	sing	1.08Å	1.08Å
C9	H15	sing	1.09Å	1.10Å
C9	H16	sing	1.09Å	1.10Å
C9	H17	sing	1.09Å	1.10Å
S	H18	sing	1.35Å	1.30Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C11	N	113.2°	109.5°
C11	C12	S	111.3°	109.5°
C12	C11	H5	108.5°	109.5°
C12	C11	H6	108.5°	109.4°
C11	C12	H11	109.0°	109.5°
C11	C12	H12	109.0°	109.4°
C11	N	C10	122.1°	120.0°
N	C11	H5	108.5°	109.5°
N	C11	H6	108.5°	109.5°
C11	N	H7	119.0°	120.0°
S	C12	H11	109.0°	109.5°
S	C12	H12	109.0°	109.5°
C12	S	H18	102.0°	103.0°
N	C10	O2	122.2°	120.0°
N	C10	C1	117.6°	120.0°
C10	N	H7	118.9°	120.0°
O2	C10	C1	120.1°	120.0°
C	C1	C10	107.5°	109.4°
C	C1	O	106.3°	109.4°
C	C1	C9	108.6°	109.5°
C1	C	H8	109.5°	109.5°
C1	C	H9	109.4°	109.4°
C1	C	H10	109.4°	109.5°
C10	C1	O	111.5°	109.5°
C10	C1	C9	112.8°	109.5°
O	C1	C9	110.0°	109.5°
C1	O	C2	127.4°	117.0°
C1	C9	H15	109.5°	109.4°
C1	C9	H16	109.5°	109.4°
C1	C9	H17	109.4°	109.5°
O	C2	C3	123.4°	120.0°
O	C2	C8	116.1°	120.1°
C3	C2	C8	120.5°	119.9°
C2	C3	C4	117.9°	119.9°
C2	C3	H1	121.0°	120.0°
C2	C8	C7	121.3°	120.1°
C2	C8	H14	119.3°	119.9°
C3	C4	O1	121.8°	120.0°
C3	C4	C6	120.7°	120.0°
C4	C3	H1	121.0°	120.1°
C8	C7	C6	117.8°	120.1°
C8	C7	H13	121.1°	119.9°
C7	C8	H14	119.3°	120.0°
C5	O1	C4	120.1°	117.0°
O1	C5	H2	109.5°	109.5°
O1	C5	H3	109.5°	109.5°
O1	C5	H4	109.5°	109.4°
O1	C4	C6	117.5°	120.0°
C4	C6	C7	121.7°	120.0°
C4	C6	BR	118.8°	120.0°
C7	C6	BR	119.5°	120.0°
C6	C7	H13	121.1°	120.0°
H2	C5	H3	109.4°	109.5°
H2	C5	H4	109.5°	109.4°
H3	C5	H4	109.5°	109.5°
H5	C11	H6	109.5°	109.4°
H8	C	H9	109.5°	109.5°
H8	C	H10	109.5°	109.5°
H9	C	H10	109.5°	109.5°
H11	C12	H12	109.5°	109.5°
H15	C9	H16	109.5°	109.5°
H15	C9	H17	109.4°	109.5°
H16	C9	H17	109.5°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C11	N	H5	120.5°	120.0°
C12	C11	N	H6	120.6°	120.0°
C11	C12	S	H11	120.3°	120.0°
C11	C12	S	H12	120.3°	119.9°
C12	C11	N	C10	87.8°	179.9°
C12	C11	H5	H6	118.3°	120.0°
C12	C11	N	H7	92.2°	0.0°
C11	C12	H11	H12	119.2°	120.0°
C11	C12	S	H18	180.0°	180.0°
N	C11	C12	S	74.8°	180.0°
C11	N	C10	H7	180.0°	179.9°
C11	N	C10	O2	8.7°	0.0°
C11	N	C10	C1	170.0°	180.0°
N	C11	H5	H6	118.3°	120.0°
N	C11	C12	H11	45.5°	60.0°
N	C11	C12	H12	165.0°	60.0°
S	C12	C11	H5	45.8°	60.0°
S	C12	C11	H6	164.7°	60.0°
S	C12	H11	H12	119.2°	120.0°
N	C10	O2	C1	178.7°	180.0°
N	C10	C1	C	99.7°	60.1°
N	C10	C1	O	16.4°	180.0°
N	C10	C1	C9	140.7°	59.9°
C10	N	C11	H5	151.6°	60.0°
C10	N	C11	H6	32.7°	59.9°
O2	C10	C1	C	79.1°	120.0°
O2	C10	C1	O	164.9°	0.0°
O2	C10	C1	C9	40.6°	120.0°
O2	C10	N	H7	171.4°	180.0°
C	C1	C10	O	116.1°	120.0°
C	C1	C10	C9	119.7°	120.0°
C	C1	O	C9	117.3°	120.0°
C	C1	O	C2	167.0°	179.7°
C1	C	H8	H9	120.0°	120.0°
C1	C	H8	H10	120.0°	120.0°
C1	C	H9	H10	120.0°	120.0°
C	C1	C9	H15	180.0°	172.1°
C	C1	C9	H16	60.0°	67.9°
C	C1	C9	H17	60.0°	52.1°
C10	C1	O	C9	125.8°	120.1°
C10	C1	O	C2	76.1°	60.4°
C1	C10	N	H7	9.9°	0.1°
C10	C1	C	H8	180.0°	179.9°
C10	C1	C	H9	60.0°	60.1°
C10	C1	C	H10	60.0°	59.9°
C10	C1	C9	H15	60.9°	67.9°
C10	C1	C9	H16	179.0°	52.1°
C10	C1	C9	H17	59.0°	172.1°
C1	O	C2	C3	30.9°	174.7°
C1	O	C2	C8	150.4°	5.1°
O	C1	C	H8	60.6°	59.9°
O	C1	C	H9	59.5°	179.9°
O	C1	C	H10	179.5°	60.1°
O	C1	C9	H15	64.1°	52.2°
O	C1	C9	H16	55.9°	172.1°
O	C1	C9	H17	175.9°	67.8°
C9	C1	O	C2	49.7°	59.7°
C9	C1	C	H8	57.7°	60.1°
C9	C1	C	H9	177.7°	59.9°
C9	C1	C	H10	62.3°	179.9°
C1	C9	H15	H16	120.0°	119.9°
C1	C9	H15	H17	120.0°	120.0°
C1	C9	H16	H17	120.0°	120.0°
O	C2	C3	C8	178.6°	179.8°
O	C2	C3	C4	178.5°	179.8°
O	C2	C8	C7	178.8°	179.7°
O	C2	C3	H1	1.5°	0.2°
O	C2	C8	H14	1.2°	0.2°
C2	C3	C4	H1	180.0°	180.0°
C3	C2	C8	C7	0.1°	0.1°
C2	C3	C4	O1	179.7°	180.0°
C2	C3	C4	C6	0.1°	0.0°
C3	C2	C8	H14	179.9°	180.0°
C8	C2	C3	C4	0.2°	0.0°
C2	C8	C7	H14	180.0°	179.9°
C2	C8	C7	C6	0.3°	0.1°
C8	C2	C3	H1	179.8°	180.0°
C2	C8	C7	H13	179.6°	180.0°
C3	C4	O1	C5	1.6°	0.0°
C3	C4	O1	C6	179.6°	180.0°
C3	C4	C6	C7	0.1°	0.1°
C3	C4	C6	BR	179.1°	180.0°
C8	C7	C6	C4	0.4°	0.1°
C8	C7	C6	H13	180.0°	179.9°
C8	C7	C6	BR	178.8°	180.0°
C5	O1	C4	C6	178.8°	180.0°
O1	C5	H2	H3	120.0°	120.1°
O1	C5	H2	H4	120.0°	119.9°
O1	C5	H3	H4	120.0°	120.0°
O1	C4	C6	C7	179.5°	179.9°
O1	C4	C6	BR	1.3°	0.0°
O1	C4	C3	H1	0.3°	0.0°
C4	O1	C5	H2	180.0°	180.0°
C4	O1	C5	H3	60.0°	60.0°
C4	O1	C5	H4	60.0°	60.0°
C4	C6	C7	BR	179.2°	179.9°
C6	C4	C3	H1	179.9°	180.0°
C4	C6	C7	H13	179.6°	180.0°
C6	C7	C8	H14	179.6°	179.9°
BR	C6	C7	H13	1.2°	0.1°
H2	C5	H3	H4	120.0°	120.0°
H5	C11	N	H7	28.4°	120.0°
H5	C11	C12	H11	166.1°	180.0°
H5	C11	C12	H12	74.5°	60.0°
H6	C11	N	H7	147.3°	120.0°
H6	C11	C12	H11	75.0°	60.0°
H6	C11	C12	H12	44.4°	179.9°
H8	C	H9	H10	120.0°	120.0°
H11	C12	S	H18	59.8°	60.0°
H12	C12	S	H18	59.7°	60.0°
H13	C7	C8	H14	0.4°	0.0°
H15	C9	H16	H17	120.0°	120.0°

Release date:	2021-07-07
Definition date:	2020-12-15
Last modified:	2021-07-02
Release status:	REL
Processing site:	PDBE
Derived from:	7BAA