BJU

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C04	C05	sing	1.53Å	0.00Å
C04	C03	sing	1.53Å	0.00Å
C05	C06	sing	1.53Å	0.00Å
C03	C02	sing	1.53Å	0.00Å
C02	C01	sing	1.53Å	0.00Å
C06	C07	sing	1.53Å	0.00Å
C07	C08	sing	1.53Å	0.00Å
C08	C09	sing	1.53Å	0.00Å
C09	C10	sing	1.53Å	0.00Å
C10	C11	sing	1.53Å	0.00Å
C11	C12	sing	1.53Å	0.00Å
C12	C13	sing	1.53Å	0.00Å
C13	C14	sing	1.51Å	0.00Å
C14	O15	doub	1.21Å	0.00Å
C14	N16	sing	1.35Å	0.00Å
C10	H1	sing	1.09Å	0.00Å
C10	H2	sing	1.09Å	0.00Å
C13	H3	sing	1.09Å	0.00Å
C13	H4	sing	1.09Å	0.00Å
C01	H5	sing	1.09Å	0.00Å
C01	H6	sing	1.09Å	0.00Å
C01	H7	sing	1.09Å	0.00Å
C02	H8	sing	1.09Å	0.00Å
C02	H9	sing	1.09Å	0.00Å
C03	H10	sing	1.09Å	0.00Å
C03	H11	sing	1.09Å	0.00Å
C04	H12	sing	1.09Å	0.00Å
C04	H13	sing	1.09Å	0.00Å
C05	H14	sing	1.09Å	0.00Å
C05	H15	sing	1.09Å	0.00Å
C06	H16	sing	1.09Å	0.00Å
C06	H17	sing	1.09Å	0.00Å
C07	H18	sing	1.09Å	0.00Å
C07	H19	sing	1.09Å	0.00Å
C08	H20	sing	1.09Å	0.00Å
C08	H21	sing	1.09Å	0.00Å
C09	H22	sing	1.09Å	0.00Å
C09	H23	sing	1.09Å	0.00Å
C11	H24	sing	1.09Å	0.00Å
C11	H25	sing	1.09Å	0.00Å
C12	H26	sing	1.09Å	0.00Å
C12	H27	sing	1.09Å	0.00Å
N16	H28	sing	0.97Å	0.00Å
N16	C1	sing	1.46Å	0.00Å
C1	C2	sing	1.51Å	0.00Å
C2	O2	sing	1.34Å	0.00Å
O2	H29	sing	0.97Å	0.00Å
C2	O1	doub	1.21Å	0.00Å
C1	H30	sing	1.09Å	0.00Å
C1	H31	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C05	C04	C03	90.0°	109.5°
C04	C05	C06	90.0°	109.4°
C05	C04	H12	90.0°	109.5°
C05	C04	H13	90.0°	109.5°
C04	C05	H14	90.0°	109.5°
C04	C05	H15	90.0°	109.4°
C04	C03	C02	90.0°	109.5°
C04	C03	H10	90.0°	109.5°
C04	C03	H11	90.0°	109.4°
C03	C04	H12	90.0°	109.5°
C03	C04	H13	90.0°	109.4°
C05	C06	C07	90.0°	109.4°
C06	C05	H14	90.0°	109.5°
C06	C05	H15	90.0°	109.4°
C05	C06	H16	90.0°	109.5°
C05	C06	H17	90.0°	109.4°
C03	C02	C01	90.0°	109.5°
C03	C02	H8	90.0°	109.5°
C03	C02	H9	90.0°	109.4°
C02	C03	H10	90.0°	109.5°
C02	C03	H11	90.0°	109.4°
C02	C01	H5	90.0°	109.4°
C02	C01	H6	90.0°	109.5°
C02	C01	H7	90.0°	109.5°
C01	C02	H8	90.0°	109.5°
C01	C02	H9	90.0°	109.4°
C06	C07	C08	90.0°	109.5°
C07	C06	H16	90.0°	109.5°
C07	C06	H17	90.0°	109.4°
C06	C07	H18	90.0°	109.5°
C06	C07	H19	90.0°	109.5°
C07	C08	C09	90.0°	109.5°
C08	C07	H18	90.0°	109.5°
C08	C07	H19	90.0°	109.4°
C07	C08	H20	90.0°	109.5°
C07	C08	H21	90.0°	109.4°
C08	C09	C10	90.0°	109.5°
C09	C08	H20	90.0°	109.5°
C09	C08	H21	90.0°	109.4°
C08	C09	H22	90.0°	109.4°
C08	C09	H23	90.0°	109.5°
C09	C10	C11	90.0°	109.5°
C09	C10	H1	90.0°	109.5°
C09	C10	H2	90.0°	109.4°
C10	C09	H22	90.0°	109.4°
C10	C09	H23	90.0°	109.5°
C10	C11	C12	90.0°	109.5°
C11	C10	H1	90.0°	109.5°
C11	C10	H2	90.0°	109.4°
C10	C11	H24	90.0°	109.5°
C10	C11	H25	90.0°	109.4°
C11	C12	C13	90.0°	109.5°
C12	C11	H24	90.0°	109.5°
C12	C11	H25	90.0°	109.5°
C11	C12	H26	90.0°	109.4°
C11	C12	H27	90.0°	109.5°
C12	C13	C14	90.0°	109.5°
C12	C13	H3	90.0°	109.5°
C12	C13	H4	90.0°	109.4°
C13	C12	H26	90.0°	109.4°
C13	C12	H27	90.0°	109.5°
C13	C14	O15	90.0°	120.0°
C13	C14	N16	90.0°	120.0°
C14	C13	H3	90.0°	109.5°
C14	C13	H4	90.0°	109.4°
O15	C14	N16	90.0°	120.0°
C14	N16	H28	90.0°	120.0°
C14	N16	C1	90.0°	120.0°
H1	C10	H2	90.0°	109.5°
H3	C13	H4	90.0°	109.5°
H5	C01	H6	90.0°	109.5°
H5	C01	H7	90.0°	109.4°
H6	C01	H7	90.0°	109.5°
H8	C02	H9	90.0°	109.5°
H10	C03	H11	90.0°	109.5°
H12	C04	H13	90.0°	109.5°
H14	C05	H15	90.0°	109.5°
H16	C06	H17	90.0°	109.5°
H18	C07	H19	90.0°	109.5°
H20	C08	H21	90.0°	109.5°
H22	C09	H23	90.0°	109.5°
H24	C11	H25	90.0°	109.5°
H26	C12	H27	90.0°	109.5°
H28	N16	C1	90.0°	120.0°
N16	C1	C2	90.0°	109.5°
N16	C1	H30	90.0°	109.5°
N16	C1	H31	90.0°	109.4°
C1	C2	O2	90.0°	120.0°
C1	C2	O1	90.0°	120.0°
C2	C1	H30	90.0°	109.5°
C2	C1	H31	90.0°	109.5°
C2	O2	H29	90.0°	117.0°
O2	C2	O1	90.0°	120.0°
H30	C1	H31	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C05	C04	C03	H12	90.0°	120.1°
C05	C04	C03	H13	90.0°	120.0°
C04	C05	C06	H14	90.0°	120.0°
C04	C05	C06	H15	90.0°	119.9°
C05	C04	C03	C02	90.0°	180.0°
C04	C05	C06	C07	90.0°	180.0°
C05	C04	C03	H10	90.0°	59.9°
C05	C04	C03	H11	90.0°	60.0°
C05	C04	H12	H13	90.0°	120.0°
C04	C05	H14	H15	90.0°	120.0°
C04	C05	C06	H16	90.0°	60.0°
C04	C05	C06	H17	90.0°	60.1°
C03	C04	C05	C06	90.0°	180.0°
C04	C03	C02	H10	90.0°	120.1°
C04	C03	C02	H11	90.0°	120.0°
C04	C03	C02	C01	90.0°	180.0°
C04	C03	C02	H8	90.0°	59.9°
C04	C03	C02	H9	90.0°	60.0°
C04	C03	H10	H11	90.0°	120.0°
C03	C04	H12	H13	90.0°	120.0°
C03	C04	C05	H14	90.0°	60.0°
C03	C04	C05	H15	90.0°	60.1°
C05	C06	C07	H16	90.0°	120.0°
C05	C06	C07	H17	90.0°	119.9°
C05	C06	C07	C08	90.0°	180.0°
C06	C05	C04	H12	90.0°	60.0°
C06	C05	C04	H13	90.0°	60.0°
C06	C05	H14	H15	90.0°	120.0°
C05	C06	H16	H17	90.0°	120.0°
C05	C06	C07	H18	90.0°	60.0°
C05	C06	C07	H19	90.0°	60.0°
C03	C02	C01	H8	90.0°	120.1°
C03	C02	C01	H9	90.0°	120.0°
C03	C02	C01	H5	90.0°	60.0°
C03	C02	C01	H6	90.0°	59.9°
C03	C02	C01	H7	90.0°	180.0°
C03	C02	H8	H9	90.0°	120.0°
C02	C03	H10	H11	90.0°	120.0°
C02	C03	C04	H12	90.0°	59.9°
C02	C03	C04	H13	90.0°	60.0°
C02	C01	H5	H6	90.0°	120.0°
C02	C01	H5	H7	90.0°	120.0°
C02	C01	H6	H7	90.0°	120.1°
C01	C02	H8	H9	90.0°	120.0°
C01	C02	C03	H10	90.0°	59.9°
C01	C02	C03	H11	90.0°	60.0°
C06	C07	C08	H18	90.0°	120.1°
C06	C07	C08	H19	90.0°	120.0°
C06	C07	C08	C09	90.0°	180.0°
C07	C06	C05	H14	90.0°	60.0°
C07	C06	C05	H15	90.0°	60.1°
C07	C06	H16	H17	90.0°	120.0°
C06	C07	H18	H19	90.0°	120.0°
C06	C07	C08	H20	90.0°	59.9°
C06	C07	C08	H21	90.0°	60.0°
C07	C08	C09	H20	90.0°	120.1°
C07	C08	C09	H21	90.0°	120.0°
C07	C08	C09	C10	90.0°	180.0°
C08	C07	C06	H16	90.0°	60.0°
C08	C07	C06	H17	90.0°	60.1°
C08	C07	H18	H19	90.0°	120.0°
C07	C08	H20	H21	90.0°	120.0°
C07	C08	C09	H22	90.0°	60.0°
C07	C08	C09	H23	90.0°	59.9°
C08	C09	C10	H22	90.0°	120.0°
C08	C09	C10	H23	90.0°	120.1°
C08	C09	C10	C11	90.0°	180.0°
C08	C09	C10	H1	90.0°	59.9°
C08	C09	C10	H2	90.0°	60.0°
C09	C08	C07	H18	90.0°	59.9°
C09	C08	C07	H19	90.0°	60.0°
C09	C08	H20	H21	90.0°	120.0°
C08	C09	H22	H23	90.0°	120.0°
C09	C10	C11	H1	90.0°	120.1°
C09	C10	C11	H2	90.0°	120.0°
C09	C10	C11	C12	90.0°	180.0°
C09	C10	H1	H2	90.0°	120.0°
C10	C09	C08	H20	90.0°	59.9°
C10	C09	C08	H21	90.0°	60.0°
C10	C09	H22	H23	90.0°	120.0°
C09	C10	C11	H24	90.0°	59.9°
C09	C10	C11	H25	90.0°	60.0°
C10	C11	C12	H24	90.0°	120.0°
C10	C11	C12	H25	90.0°	119.9°
C10	C11	C12	C13	90.0°	180.0°
C11	C10	H1	H2	90.0°	120.0°
C11	C10	C09	H22	90.0°	60.0°
C11	C10	C09	H23	90.0°	59.9°
C10	C11	H24	H25	90.0°	119.9°
C10	C11	C12	H26	90.0°	60.0°
C10	C11	C12	H27	90.0°	59.9°
C11	C12	C13	H26	90.0°	120.0°
C11	C12	C13	H27	90.0°	120.1°
C11	C12	C13	C14	90.0°	180.0°
C12	C11	C10	H1	90.0°	59.9°
C12	C11	C10	H2	90.0°	60.0°
C11	C12	C13	H3	90.0°	59.9°
C11	C12	C13	H4	90.0°	60.0°
C12	C11	H24	H25	90.0°	120.1°
C11	C12	H26	H27	90.0°	120.0°
C12	C13	C14	H3	90.0°	120.1°
C12	C13	C14	H4	90.0°	120.0°
C12	C13	C14	O15	90.0°	0.1°
C12	C13	C14	N16	90.0°	180.0°
C12	C13	H3	H4	90.0°	120.0°
C13	C12	C11	H24	90.0°	60.0°
C13	C12	C11	H25	90.0°	60.1°
C13	C12	H26	H27	90.0°	120.0°
C13	C14	O15	N16	90.0°	179.9°
C14	C13	H3	H4	90.0°	120.0°
C14	C13	C12	H26	90.0°	60.0°
C14	C13	C12	H27	90.0°	59.9°
C13	C14	N16	H28	90.0°	0.1°
C13	C14	N16	C1	90.0°	180.0°
O15	C14	C13	H3	90.0°	120.0°
O15	C14	C13	H4	90.0°	120.0°
O15	C14	N16	H28	90.0°	180.0°
O15	C14	N16	C1	90.0°	0.1°
N16	C14	C13	H3	90.0°	59.9°
N16	C14	C13	H4	90.0°	60.0°
C14	N16	H28	C1	90.0°	179.9°
C14	N16	C1	C2	90.0°	180.0°
C14	N16	C1	H30	90.0°	59.9°
C14	N16	C1	H31	90.0°	60.0°
H1	C10	C09	H22	90.0°	60.0°
H1	C10	C09	H23	90.0°	180.0°
H1	C10	C11	H24	90.0°	180.0°
H1	C10	C11	H25	90.0°	60.0°
H2	C10	C09	H22	90.0°	180.0°
H2	C10	C09	H23	90.0°	60.0°
H2	C10	C11	H24	90.0°	60.0°
H2	C10	C11	H25	90.0°	180.0°
H3	C13	C12	H26	90.0°	60.0°
H3	C13	C12	H27	90.0°	180.0°
H4	C13	C12	H26	90.0°	180.0°
H4	C13	C12	H27	90.0°	60.0°
H5	C01	H6	H7	90.0°	120.0°
H5	C01	C02	H8	90.0°	60.0°
H5	C01	C02	H9	90.0°	180.0°
H6	C01	C02	H8	90.0°	180.0°
H6	C01	C02	H9	90.0°	60.0°
H7	C01	C02	H8	90.0°	59.9°
H7	C01	C02	H9	90.0°	60.0°
H8	C02	C03	H10	90.0°	180.0°
H8	C02	C03	H11	90.0°	60.0°
H9	C02	C03	H10	90.0°	60.0°
H9	C02	C03	H11	90.0°	180.0°
H10	C03	C04	H12	90.0°	NaN°
H10	C03	C04	H13	90.0°	60.0°
H11	C03	C04	H12	90.0°	60.0°
H11	C03	C04	H13	90.0°	180.0°
H12	C04	C05	H14	90.0°	180.0°
H12	C04	C05	H15	90.0°	60.0°
H13	C04	C05	H14	90.0°	60.0°
H13	C04	C05	H15	90.0°	180.0°
H14	C05	C06	H16	90.0°	180.0°
H14	C05	C06	H17	90.0°	59.9°
H15	C05	C06	H16	90.0°	59.9°
H15	C05	C06	H17	90.0°	180.0°
H16	C06	C07	H18	90.0°	180.0°
H16	C06	C07	H19	90.0°	60.0°
H17	C06	C07	H18	90.0°	60.0°
H17	C06	C07	H19	90.0°	180.0°
H18	C07	C08	H20	90.0°	NaN°
H18	C07	C08	H21	90.0°	60.0°
H19	C07	C08	H20	90.0°	60.0°
H19	C07	C08	H21	90.0°	180.0°
H20	C08	C09	H22	90.0°	60.0°
H20	C08	C09	H23	90.0°	180.0°
H21	C08	C09	H22	90.0°	180.0°
H21	C08	C09	H23	90.0°	60.0°
H24	C11	C12	H26	90.0°	60.0°
H24	C11	C12	H27	90.0°	180.0°
H25	C11	C12	H26	90.0°	180.0°
H25	C11	C12	H27	90.0°	60.0°
H28	N16	C1	C2	90.0°	0.1°
H28	N16	C1	H30	90.0°	120.0°
H28	N16	C1	H31	90.0°	120.0°
N16	C1	C2	H30	90.0°	120.0°
N16	C1	C2	H31	90.0°	120.0°
N16	C1	C2	O2	90.0°	180.0°
N16	C1	C2	O1	90.0°	0.1°
N16	C1	H30	H31	90.0°	120.0°
C1	C2	O2	O1	90.0°	179.9°
C1	C2	O2	H29	90.0°	180.0°
C2	C1	H30	H31	90.0°	120.0°
O2	C2	C1	H30	90.0°	60.0°
O2	C2	C1	H31	90.0°	60.0°
H29	O2	C2	O1	90.0°	0.1°
O1	C2	C1	H30	90.0°	120.0°
O1	C2	C1	H31	90.0°	120.0°

Release date:	2024-03-27
Definition date:	2019-02-07
Last modified:	2024-09-27
Release status:	REL
Processing site:	PDBJ