9L4

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O29	C13	doub	1.21Å	1.23Å
C13	O20	sing	1.35Å	1.29Å
C13	C16	sing	1.48Å	1.52Å
C16	C22	doub	1.40Å	1.39Å	Aromatic
C16	C18	sing	1.40Å	1.40Å	Aromatic
C22	C21	sing	1.38Å	1.39Å	Aromatic
C18	C17	doub	1.38Å	1.38Å	Aromatic
C31	C25	doub	1.38Å	1.38Å	Aromatic
C31	C30	sing	1.38Å	1.38Å	Aromatic
C21	C12	doub	1.39Å	1.40Å	Aromatic
C17	C12	sing	1.39Å	1.41Å	Aromatic
C17	CL28	sing	1.74Å	1.74Å
C25	C14	sing	1.40Å	1.40Å	Aromatic
N3	C5	sing	1.36Å	1.40Å	Aromatic
N3	C2	doub	1.31Å	1.32Å	Aromatic
CL33	C30	sing	1.74Å	1.74Å
C10	C5	doub	1.40Å	1.39Å	Aromatic
C10	C15	sing	1.38Å	1.38Å	Aromatic
C12	N9	sing	1.39Å	1.42Å
C30	C32	doub	1.39Å	1.38Å	Aromatic
F27	C15	sing	1.35Å	1.35Å
C5	C4	sing	1.41Å	1.38Å	Aromatic
C14	C2	sing	1.48Å	1.48Å
C14	C24	doub	1.40Å	1.40Å	Aromatic
N9	C6	sing	1.35Å	1.36Å
C2	N1	sing	1.37Å	1.38Å	Aromatic
C15	C11	doub	1.39Å	1.38Å	Aromatic
C32	C24	sing	1.38Å	1.39Å	Aromatic
C4	N1	sing	1.38Å	1.38Å	Aromatic
C4	C8	doub	1.39Å	1.39Å	Aromatic
N1	C7	sing	1.47Å	1.52Å
C11	C8	sing	1.38Å	1.36Å	Aromatic
C11	F26	sing	1.35Å	1.35Å
C6	C7	sing	1.51Å	1.56Å
C6	O19	doub	1.21Å	1.22Å
C7	C23	sing	1.53Å	1.55Å
C23	C35	sing	1.53Å	1.54Å
C23	C34	sing	1.53Å	1.53Å
C35	C36	sing	1.53Å	1.57Å
C34	C37	sing	1.53Å	1.54Å
C36	C38	sing	1.53Å	1.54Å
C37	C38	sing	1.53Å	1.54Å
C7	H1	sing	1.09Å	1.10Å
C8	H2	sing	1.08Å	1.08Å
C10	H3	sing	1.08Å	1.08Å
C21	H4	sing	1.08Å	1.08Å
C22	H5	sing	1.08Å	1.08Å
C24	H6	sing	1.08Å	1.08Å
O20	H7	sing	0.97Å	0.95Å
N9	H8	sing	0.97Å	1.00Å
C23	H9	sing	1.09Å	1.10Å
C34	H10	sing	1.09Å	1.10Å
C34	H11	sing	1.09Å	1.10Å
C37	H12	sing	1.09Å	1.10Å
C37	H13	sing	1.09Å	1.10Å
C38	H14	sing	1.09Å	1.10Å
C38	H15	sing	1.09Å	1.10Å
C36	H16	sing	1.09Å	1.10Å
C36	H17	sing	1.09Å	1.10Å
C35	H18	sing	1.09Å	1.10Å
C35	H19	sing	1.09Å	1.10Å
C32	H20	sing	1.08Å	1.08Å
C31	H21	sing	1.08Å	1.08Å
C25	H22	sing	1.08Å	1.08Å
C18	H23	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O29	C13	O20	122.9°	120.0°
O29	C13	C16	122.8°	120.0°
O20	C13	C16	114.3°	120.0°
C13	O20	H7	109.5°	117.0°
C13	C16	C22	120.7°	120.0°
C13	C16	C18	120.1°	120.1°
C22	C16	C18	119.2°	119.9°
C16	C22	C21	120.9°	119.9°
C16	C22	H5	119.5°	120.0°
C16	C18	C17	119.9°	119.9°
C16	C18	H23	120.0°	120.0°
C22	C21	C12	120.3°	120.1°
C22	C21	H4	119.9°	120.0°
C21	C22	H5	119.5°	120.0°
C18	C17	C12	121.4°	120.0°
C18	C17	CL28	118.4°	120.0°
C17	C18	H23	120.0°	120.1°
C25	C31	C30	119.1°	120.2°
C31	C25	C14	121.0°	119.9°
C25	C31	H21	120.5°	119.9°
C31	C25	H22	119.5°	120.0°
C31	C30	CL33	119.1°	119.9°
C31	C30	C32	121.5°	120.2°
C30	C31	H21	120.4°	119.9°
C21	C12	C17	118.2°	120.1°
C21	C12	N9	121.5°	119.9°
C12	C21	H4	119.9°	119.9°
C12	C17	CL28	120.2°	120.0°
C17	C12	N9	120.3°	119.9°
C25	C14	C2	119.9°	120.1°
C25	C14	C24	118.7°	119.8°
C14	C25	H22	119.5°	120.1°
C5	N3	C2	104.8°	109.6°
N3	C5	C10	130.4°	133.3°
N3	C5	C4	110.3°	107.2°
N3	C2	C14	124.0°	125.1°
N3	C2	N1	112.3°	109.8°
CL33	C30	C32	119.5°	119.9°
C5	C10	C15	117.3°	119.8°
C10	C5	C4	119.3°	119.5°
C5	C10	H3	121.4°	120.1°
C10	C15	F27	119.3°	119.7°
C10	C15	C11	122.0°	120.5°
C15	C10	H3	121.3°	120.1°
C12	N9	C6	123.6°	120.0°
C12	N9	H8	118.2°	120.0°
C30	C32	C24	119.1°	120.1°
C30	C32	H20	120.4°	119.9°
F27	C15	C11	118.7°	119.8°
C5	C4	N1	105.7°	106.2°
C5	C4	C8	123.4°	120.0°
C2	C14	C24	121.4°	120.1°
C14	C2	N1	123.7°	125.1°
C14	C24	C32	120.6°	119.9°
C14	C24	H6	119.7°	120.1°
N9	C6	C7	114.6°	120.0°
N9	C6	O19	123.9°	120.0°
C6	N9	H8	118.2°	120.0°
C2	N1	C4	106.8°	107.2°
C2	N1	C7	125.7°	126.4°
C15	C11	C8	121.6°	120.4°
C15	C11	F26	119.4°	119.8°
C32	C24	H6	119.7°	120.1°
C24	C32	H20	120.4°	119.9°
N1	C4	C8	130.9°	133.8°
C4	N1	C7	127.5°	126.4°
C4	C8	C11	116.4°	119.8°
C4	C8	H2	121.8°	120.0°
N1	C7	C6	109.6°	109.5°
N1	C7	C23	110.7°	109.4°
N1	C7	H1	108.1°	109.5°
C8	C11	F26	119.0°	119.8°
C11	C8	H2	121.8°	120.1°
C7	C6	O19	121.5°	119.9°
C6	C7	C23	112.8°	109.5°
C6	C7	H1	107.7°	109.5°
C7	C23	C35	112.2°	109.5°
C7	C23	C34	112.2°	109.4°
C23	C7	H1	107.8°	109.5°
C7	C23	H9	107.7°	109.5°
C35	C23	C34	108.7°	109.5°
C23	C35	C36	111.9°	109.5°
C35	C23	H9	107.9°	109.5°
C23	C35	H18	108.8°	109.4°
C23	C35	H19	108.9°	109.5°
C23	C34	C37	111.3°	109.5°
C34	C23	H9	108.0°	109.4°
C23	C34	H10	109.0°	109.5°
C23	C34	H11	109.0°	109.5°
C35	C36	C38	111.3°	109.5°
C35	C36	H16	109.0°	109.4°
C35	C36	H17	109.0°	109.5°
C36	C35	H18	108.9°	109.4°
C36	C35	H19	108.9°	109.5°
C34	C37	C38	111.7°	109.4°
C37	C34	H10	109.0°	109.4°
C37	C34	H11	109.0°	109.5°
C34	C37	H12	108.9°	109.5°
C34	C37	H13	108.9°	109.5°
C36	C38	C37	111.7°	109.5°
C36	C38	H14	108.9°	109.5°
C36	C38	H15	108.9°	109.4°
C38	C36	H16	109.0°	109.5°
C38	C36	H17	109.0°	109.5°
C38	C37	H12	108.9°	109.5°
C38	C37	H13	108.9°	109.4°
C37	C38	H14	108.9°	109.5°
C37	C38	H15	108.9°	109.5°
H10	C34	H11	109.5°	109.5°
H12	C37	H13	109.5°	109.5°
H14	C38	H15	109.5°	109.5°
H16	C36	H17	109.5°	109.5°
H18	C35	H19	109.4°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O29	C13	O20	C16	180.0°	180.0°
O29	C13	C16	C22	11.1°	0.0°
O29	C13	C16	C18	168.8°	179.3°
O29	C13	O20	H7	0.0°	0.0°
O20	C13	C16	C22	169.0°	179.9°
O20	C13	C16	C18	11.2°	0.7°
C13	C16	C22	C18	179.8°	179.3°
C13	C16	C22	C21	179.8°	180.0°
C13	C16	C18	C17	179.9°	179.7°
C13	C16	C22	H5	0.2°	0.5°
C16	C13	O20	H7	179.9°	180.0°
C13	C16	C18	H23	0.1°	0.2°
C16	C22	C21	H5	180.0°	179.5°
C22	C16	C18	C17	0.1°	0.4°
C16	C22	C21	C12	0.1°	0.5°
C16	C22	C21	H4	179.9°	179.5°
C22	C16	C18	H23	179.9°	179.5°
C18	C16	C22	C21	0.0°	0.7°
C16	C18	C17	H23	180.0°	179.9°
C16	C18	C17	C12	0.2°	0.0°
C16	C18	C17	CL28	179.9°	179.8°
C18	C16	C22	H5	180.0°	179.8°
C22	C21	C12	H4	180.0°	180.0°
C22	C21	C12	C17	0.2°	0.0°
C22	C21	C12	N9	179.5°	180.0°
C18	C17	C12	C21	0.3°	0.2°
C18	C17	C12	CL28	179.7°	179.7°
C18	C17	C12	N9	179.6°	179.7°
C25	C31	C30	H21	180.0°	179.7°
C31	C25	C14	H22	180.0°	179.8°
C25	C31	C30	CL33	179.9°	179.7°
C25	C31	C30	C32	0.1°	0.3°
C31	C25	C14	C2	179.5°	179.9°
C31	C25	C14	C24	0.3°	0.0°
C30	C31	C25	C14	0.0°	0.3°
C31	C30	CL33	C32	179.8°	180.0°
C31	C30	C32	C24	0.1°	0.0°
C31	C30	C32	H20	179.9°	180.0°
C30	C31	C25	H22	179.9°	180.0°
C21	C12	C17	N9	179.2°	180.0°
C21	C12	C17	CL28	180.0°	180.0°
C21	C12	N9	C6	99.6°	19.8°
C12	C21	C22	H5	179.9°	180.0°
C21	C12	N9	H8	80.4°	160.2°
C17	C12	N9	C6	79.6°	160.1°
C17	C12	C21	H4	179.8°	180.0°
C17	C12	N9	H8	100.4°	19.8°
C12	C17	C18	H23	179.7°	180.0°
CL28	C17	C12	N9	0.7°	0.0°
CL28	C17	C18	H23	0.0°	0.3°
C25	C14	C2	N3	113.4°	162.4°
C25	C14	C2	C24	179.1°	180.0°
C25	C14	C2	N1	67.0°	16.9°
C25	C14	C24	C32	0.5°	0.3°
C25	C14	C24	H6	179.5°	180.0°
C14	C25	C31	H21	179.9°	179.9°
N3	C5	C10	C4	179.8°	179.8°
N3	C5	C10	C15	180.0°	179.9°
C5	N3	C2	C14	179.8°	179.9°
C5	N3	C2	N1	0.2°	0.5°
N3	C5	C4	N1	0.1°	0.0°
N3	C5	C4	C8	179.8°	180.0°
N3	C5	C10	H3	0.0°	0.1°
C2	N3	C5	C10	179.8°	179.9°
C2	N3	C5	C4	0.0°	0.3°
N3	C2	C14	N1	179.6°	179.3°
N3	C2	C14	C24	67.5°	17.6°
N3	C2	N1	C4	0.3°	0.5°
N3	C2	N1	C7	179.4°	179.8°
CL33	C30	C32	C24	179.7°	180.0°
CL33	C30	C32	H20	0.3°	0.0°
CL33	C30	C31	H21	0.1°	0.0°
C5	C10	C15	H3	180.0°	180.0°
C5	C10	C15	F27	180.0°	179.9°
C5	C10	C15	C11	0.0°	0.2°
C10	C5	C4	N1	180.0°	179.8°
C10	C5	C4	C8	0.3°	0.2°
C10	C15	F27	C11	180.0°	179.7°
C15	C10	C5	C4	0.2°	0.3°
C10	C15	C11	C8	0.0°	0.1°
C10	C15	C11	F26	179.9°	180.0°
C12	N9	C6	H8	180.0°	180.0°
C12	N9	C6	C7	179.6°	176.1°
C12	N9	C6	O19	0.2°	3.9°
N9	C12	C21	H4	0.5°	0.0°
C30	C32	C24	C14	0.4°	0.3°
C30	C32	C24	H20	180.0°	180.0°
C30	C32	C24	H6	179.6°	180.0°
C32	C30	C31	H21	179.9°	180.0°
F27	C15	C11	C8	180.0°	179.8°
F27	C15	C11	F26	0.0°	0.3°
F27	C15	C10	H3	0.0°	0.0°
C5	C4	N1	C2	0.2°	0.3°
C5	C4	N1	C8	179.7°	180.0°
C5	C4	N1	C7	179.5°	180.0°
C5	C4	C8	C11	0.3°	0.1°
C5	C4	C8	H2	179.7°	180.0°
C4	C5	C10	H3	179.8°	179.7°
C2	C14	C24	C32	179.6°	179.7°
C14	C2	N1	C4	179.9°	179.9°
C14	C2	N1	C7	0.2°	0.4°
C2	C14	C24	H6	0.4°	0.0°
C2	C14	C25	H22	0.5°	0.3°
C24	C14	C2	N1	112.1°	163.0°
C14	C24	C32	H6	180.0°	179.7°
C14	C24	C32	H20	179.6°	179.7°
C24	C14	C25	H22	179.6°	179.7°
N9	C6	C7	N1	36.7°	170.9°
N9	C6	C7	O19	179.9°	180.0°
N9	C6	C7	C23	160.5°	69.1°
N9	C6	C7	H1	80.7°	50.9°
C2	N1	C4	C7	179.7°	179.7°
C2	N1	C4	C8	179.9°	179.7°
C2	N1	C7	C6	125.4°	65.0°
C2	N1	C7	C23	109.6°	175.0°
C2	N1	C7	H1	8.2°	55.0°
C15	C11	C8	C4	0.1°	0.0°
C15	C11	C8	F26	180.0°	179.9°
C15	C11	C8	H2	179.9°	179.9°
C11	C15	C10	H3	180.0°	179.7°
N1	C4	C8	C11	179.9°	180.0°
C4	N1	C7	C6	55.0°	114.6°
C4	N1	C7	C23	70.1°	5.4°
C4	N1	C7	H1	172.1°	125.4°
N1	C4	C8	H2	0.1°	0.0°
C8	C4	N1	C7	0.2°	0.0°
C4	C8	C11	H2	180.0°	180.0°
C4	C8	C11	F26	179.9°	179.9°
N1	C7	C6	C23	123.8°	120.0°
N1	C7	C6	H1	117.4°	120.0°
N1	C7	C6	O19	143.1°	9.1°
N1	C7	C23	H1	118.0°	120.0°
N1	C7	C23	C35	33.2°	66.2°
N1	C7	C23	C34	155.8°	173.8°
N1	C7	C23	H9	85.4°	53.9°
F26	C11	C8	H2	0.1°	0.1°
C6	C7	C23	H1	118.8°	120.0°
C6	C7	C23	C35	156.4°	173.8°
C6	C7	C23	C34	80.9°	53.7°
C7	C6	N9	H8	0.4°	3.9°
C6	C7	C23	H9	37.8°	66.2°
O19	C6	C7	C23	19.3°	110.9°
O19	C6	C7	H1	99.5°	129.1°
O19	C6	N9	H8	179.7°	176.1°
C7	C23	C35	C34	124.6°	120.0°
C7	C23	C35	H9	118.5°	120.0°
C7	C23	C34	H9	118.6°	119.9°
C7	C23	C35	C36	177.7°	180.0°
C7	C23	C34	C37	175.8°	179.9°
C7	C23	C34	H10	55.5°	60.0°
C7	C23	C34	H11	63.9°	60.0°
C7	C23	C35	H18	62.0°	60.0°
C7	C23	C35	H19	57.3°	60.0°
C35	C23	C34	H9	116.8°	120.0°
C23	C35	C36	H18	120.4°	119.9°
C23	C35	C36	H19	120.4°	120.1°
C35	C23	C34	C37	59.6°	60.0°
C23	C35	C36	C38	54.1°	60.0°
C35	C23	C7	H1	84.8°	53.8°
C35	C23	C34	H10	179.9°	180.0°
C35	C23	C34	H11	60.7°	60.0°
C23	C35	C36	H16	174.4°	60.1°
C23	C35	C36	H17	66.2°	180.0°
C23	C35	H18	H19	118.9°	120.0°
C34	C23	C35	C36	57.7°	60.0°
C23	C34	C37	H10	120.3°	120.0°
C23	C34	C37	H11	120.3°	120.0°
C23	C34	C37	C38	58.1°	60.0°
C34	C23	C7	H1	37.9°	66.3°
C23	C34	H10	H11	119.1°	120.0°
C23	C34	C37	H12	62.2°	60.0°
C23	C34	C37	H13	178.5°	180.0°
C34	C23	C35	H18	62.7°	60.0°
C34	C23	C35	H19	178.1°	180.0°
C35	C36	C38	H16	120.3°	120.0°
C35	C36	C38	H17	120.3°	120.0°
C35	C36	C38	C37	50.8°	60.0°
C36	C35	C23	H9	59.2°	60.0°
C35	C36	C38	H14	69.6°	180.0°
C35	C36	C38	H15	171.1°	60.0°
C35	C36	H16	H17	119.2°	120.0°
C36	C35	H18	H19	118.9°	120.0°
C34	C37	C38	C36	53.1°	60.0°
C34	C37	C38	H12	120.3°	120.0°
C34	C37	C38	H13	120.3°	120.0°
C37	C34	C23	H9	57.2°	60.0°
C37	C34	H10	H11	119.2°	120.0°
C34	C37	H12	H13	119.0°	120.0°
C34	C37	C38	H14	67.2°	180.0°
C34	C37	C38	H15	173.5°	60.0°
C36	C38	C37	H14	120.3°	120.0°
C36	C38	C37	H15	120.4°	120.0°
C36	C38	C37	H12	67.2°	60.0°
C36	C38	C37	H13	173.5°	180.0°
C36	C38	H14	H15	119.0°	120.0°
C38	C36	H16	H17	119.1°	120.0°
C38	C36	C35	H18	66.3°	60.0°
C38	C36	C35	H19	174.4°	180.0°
C38	C37	C34	H10	178.4°	180.0°
C38	C37	C34	H11	62.2°	60.0°
C38	C37	H12	H13	119.0°	120.0°
C37	C38	H14	H15	119.0°	120.0°
C37	C38	C36	H16	171.1°	60.0°
C37	C38	C36	H17	69.5°	180.0°
H1	C7	C23	H9	156.6°	173.8°
H4	C21	C22	H5	0.1°	0.0°
H6	C24	C32	H20	0.4°	0.0°
H9	C23	C34	H10	63.1°	60.0°
H9	C23	C34	H11	177.5°	180.0°
H9	C23	C35	H18	179.6°	179.9°
H9	C23	C35	H19	61.2°	60.0°
H10	C34	C37	H12	58.1°	60.0°
H10	C34	C37	H13	61.2°	60.1°
H11	C34	C37	H12	177.5°	180.0°
H11	C34	C37	H13	58.2°	59.9°
H12	C37	C38	H14	172.4°	60.0°
H12	C37	C38	H15	53.1°	180.0°
H13	C37	C38	H14	53.1°	60.0°
H13	C37	C38	H15	66.2°	60.0°
H14	C38	C36	H16	50.7°	60.0°
H14	C38	C36	H17	170.1°	60.0°
H15	C38	C36	H16	68.6°	180.0°
H15	C38	C36	H17	50.8°	60.0°
H16	C36	C35	H18	54.0°	180.0°
H16	C36	C35	H19	65.3°	60.0°
H17	C36	C35	H18	173.4°	60.0°
H17	C36	C35	H19	54.2°	60.0°
H21	C31	C25	H22	0.1°	0.3°

Release date:	2017-07-05
Definition date:	2017-05-19
Last modified:	2017-06-30
Release status:	REL
Processing site:	RCSB
Derived from:	5Q0N