Z20

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O21	C10	doub	1.22Å	1.21Å
C10	N9	sing	1.33Å	1.48Å
C10	C11	sing	1.46Å	1.49Å
C15	C16	doub	1.36Å	1.38Å	Aromatic
C15	C14	sing	1.41Å	1.40Å	Aromatic
C13	C11	doub	1.40Å	1.35Å
C13	C14	sing	1.41Å	1.47Å
N9	C8	sing	1.35Å	1.42Å
C11	S12	sing	1.71Å	1.82Å
C16	C17	sing	1.40Å	1.40Å	Aromatic
C14	C19	doub	1.41Å	1.39Å	Aromatic
C8	S12	sing	1.70Å	1.81Å
C8	N7	doub	1.33Å	1.29Å
C17	O25	sing	1.35Å	1.35Å
C17	C18	doub	1.40Å	1.41Å	Aromatic
C19	C18	sing	1.36Å	1.39Å	Aromatic
N7	C2	sing	1.34Å	1.44Å
C18	N22	sing	1.48Å	1.51Å
CL1	C3	sing	1.74Å	1.71Å
C2	C3	doub	1.42Å	1.41Å	Aromatic
C2	C1	sing	1.41Å	1.40Å	Aromatic
C3	C4	sing	1.38Å	1.39Å	Aromatic
N22	O24	sing	1.32Å	1.22Å
N22	O23	doub	1.32Å	1.22Å
C1	C6	doub	1.36Å	1.39Å	Aromatic
C4	C5	doub	1.39Å	1.39Å	Aromatic
C6	C5	sing	1.39Å	1.40Å	Aromatic
O25	H1	sing	0.97Å	0.95Å
C16	H2	sing	1.08Å	1.08Å
C15	H3	sing	1.08Å	1.08Å
C19	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.08Å	1.08Å
C4	H10	sing	1.08Å	1.08Å
C5	H11	sing	1.08Å	1.08Å
C6	H12	sing	1.08Å	1.08Å
C1	H13	sing	1.08Å	1.08Å
N9	H14	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O21	C10	N9	119.7°	124.0°
O21	C10	C11	127.7°	124.0°
N9	C10	C11	112.6°	112.0°
C10	N9	C8	114.3°	115.4°
C10	N9	H14	122.8°	122.3°
C10	C11	C13	123.5°	125.7°
C10	C11	S12	108.6°	108.7°
C16	C15	C14	121.4°	119.8°
C15	C16	C17	119.5°	120.2°
C15	C16	H2	120.3°	119.9°
C16	C15	H3	119.3°	120.1°
C15	C14	C13	118.4°	120.2°
C15	C14	C19	119.5°	119.6°
C14	C15	H3	119.3°	120.1°
C11	C13	C14	130.5°	120.0°
C13	C11	S12	127.9°	125.6°
C11	C13	H5	114.7°	120.0°
C13	C14	C19	122.1°	120.2°
C14	C13	H5	114.7°	120.0°
N9	C8	S12	111.0°	111.9°
N9	C8	N7	132.0°	124.1°
C8	N9	H14	122.9°	122.3°
C11	S12	C8	93.5°	92.1°
C16	C17	O25	123.4°	119.9°
C16	C17	C18	119.1°	120.3°
C17	C16	H2	120.2°	119.9°
C14	C19	C18	119.3°	119.8°
C14	C19	H4	120.4°	120.1°
S12	C8	N7	117.1°	124.0°
C8	N7	C2	128.5°	120.0°
O25	C17	C18	117.5°	119.8°
C17	O25	H1	109.5°	114.0°
C17	C18	C19	121.2°	120.2°
C17	C18	N22	119.0°	119.9°
C19	C18	N22	119.8°	119.8°
C18	C19	H4	120.4°	120.1°
N7	C2	C3	120.5°	120.3°
N7	C2	C1	120.5°	120.3°
C18	N22	O24	118.9°	120.0°
C18	N22	O23	117.6°	119.9°
CL1	C3	C2	120.8°	120.3°
CL1	C3	C4	117.5°	120.2°
C3	C2	C1	119.0°	119.4°
C2	C3	C4	121.6°	119.5°
C2	C1	C6	119.1°	119.8°
C2	C1	H13	120.4°	120.1°
C3	C4	C5	118.8°	120.2°
C3	C4	H10	120.6°	120.0°
O24	N22	O23	123.4°	120.0°
C1	C6	C5	121.2°	120.5°
C1	C6	H12	119.4°	119.7°
C6	C1	H13	120.5°	120.1°
C4	C5	C6	120.3°	120.6°
C5	C4	H10	120.6°	119.9°
C4	C5	H11	119.9°	119.7°
C6	C5	H11	119.9°	119.7°
C5	C6	H12	119.4°	119.8°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O21	C10	N9	C11	180.0°	180.0°
O21	C10	C11	C13	0.8°	0.0°
O21	C10	N9	C8	179.9°	180.0°
O21	C10	C11	S12	179.8°	179.7°
O21	C10	N9	H14	0.1°	0.1°
N9	C10	C11	C13	179.1°	179.9°
C10	N9	C8	H14	180.0°	179.9°
N9	C10	C11	S12	0.2°	0.2°
C10	N9	C8	S12	0.1°	0.3°
C10	N9	C8	N7	180.0°	180.0°
C10	C11	C13	S12	179.2°	179.7°
C10	C11	C13	C14	172.1°	172.9°
C11	C10	N9	C8	0.2°	0.0°
C10	C11	S12	C8	0.1°	0.3°
C10	C11	C13	H5	7.9°	7.0°
C11	C10	N9	H14	179.8°	179.9°
C16	C15	C14	H3	180.0°	180.0°
C16	C15	C14	C13	179.3°	180.0°
C15	C16	C17	H2	180.0°	179.9°
C16	C15	C14	C19	0.8°	0.2°
C15	C16	C17	O25	179.9°	180.0°
C15	C16	C17	C18	0.2°	0.0°
C15	C14	C13	C11	167.5°	28.0°
C15	C14	C13	C19	178.5°	179.8°
C14	C15	C16	C17	0.2°	0.0°
C15	C14	C19	C18	0.8°	0.5°
C14	C15	C16	H2	179.8°	180.0°
C15	C14	C19	H4	179.2°	179.7°
C15	C14	C13	H5	12.5°	152.0°
C11	C13	C14	H5	180.0°	180.0°
C11	C13	C14	C19	14.0°	151.8°
C13	C11	S12	C8	179.1°	179.9°
C14	C13	C11	S12	8.7°	6.7°
C13	C14	C19	C18	179.3°	179.7°
C13	C14	C15	H3	0.7°	0.0°
C13	C14	C19	H4	0.7°	0.0°
N9	C8	S12	C11	0.1°	0.4°
N9	C8	S12	N7	180.0°	179.7°
N9	C8	N7	C2	179.1°	176.2°
C11	S12	C8	N7	179.9°	179.9°
S12	C11	C13	H5	171.3°	173.3°
C16	C17	O25	C18	179.7°	179.9°
C16	C17	C18	C19	0.2°	0.2°
C16	C17	C18	N22	179.5°	180.0°
C16	C17	O25	H1	174.9°	89.8°
C17	C16	C15	H3	179.7°	179.9°
C14	C19	C18	C17	0.3°	0.5°
C14	C19	C18	H4	180.0°	179.7°
C14	C19	C18	N22	180.0°	179.7°
C19	C14	C15	H3	179.2°	179.8°
C19	C14	C13	H5	166.0°	28.2°
S12	C8	N7	C2	0.9°	4.1°
S12	C8	N9	H14	179.9°	179.8°
C8	N7	C2	C3	103.8°	130.0°
C8	N7	C2	C1	79.3°	49.6°
N7	C8	N9	H14	0.0°	0.1°
O25	C17	C18	C19	179.9°	179.7°
O25	C17	C18	N22	0.2°	0.0°
O25	C17	C16	H2	0.1°	0.1°
C17	C18	C19	N22	179.7°	179.7°
C17	C18	N22	O24	10.7°	180.0°
C17	C18	N22	O23	170.1°	0.3°
C18	C17	O25	H1	4.8°	90.1°
C18	C17	C16	H2	179.8°	180.0°
C17	C18	C19	H4	179.7°	179.7°
C19	C18	N22	O24	169.0°	0.3°
C19	C18	N22	O23	10.2°	179.4°
N7	C2	C3	CL1	2.5°	0.0°
N7	C2	C3	C1	176.9°	179.7°
N7	C2	C3	C4	178.4°	180.0°
N7	C2	C1	C6	178.6°	179.7°
N7	C2	C1	H13	1.4°	0.1°
C18	N22	O24	O23	179.2°	179.7°
N22	C18	C19	H4	0.0°	0.0°
CL1	C3	C2	C4	179.1°	179.9°
CL1	C3	C2	C1	179.4°	179.6°
CL1	C3	C4	C5	179.6°	180.0°
CL1	C3	C4	H10	0.3°	0.1°
C3	C2	C1	C6	1.7°	0.6°
C2	C3	C4	C5	0.5°	0.1°
C2	C3	C4	H10	179.5°	180.0°
C3	C2	C1	H13	178.3°	179.7°
C1	C2	C3	C4	1.5°	0.3°
C2	C1	C6	H13	180.0°	179.7°
C2	C1	C6	C5	1.0°	0.6°
C2	C1	C6	H12	179.0°	179.7°
C3	C4	C5	H10	180.0°	179.9°
C3	C4	C5	C6	0.3°	0.1°
C3	C4	C5	H11	179.7°	180.0°
C1	C6	C5	C4	0.1°	0.3°
C1	C6	C5	H12	180.0°	179.7°
C1	C6	C5	H11	179.9°	179.7°
C4	C5	C6	H11	180.0°	179.9°
C4	C5	C6	H12	180.0°	179.9°
C6	C5	C4	H10	179.7°	180.0°
C5	C6	C1	H13	179.0°	179.7°
H2	C16	C15	H3	0.3°	0.0°
H10	C4	C5	H11	0.3°	0.1°
H11	C5	C6	H12	0.0°	0.0°
H12	C6	C1	H13	1.0°	0.1°

Definition date:	2012-04-27
Last modified:	2012-08-03
Release status:	REL
Processing site:	PDBJ
Derived from:	4ENX