A1ALJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C01	C09	sing	0.00Å	1.53Å
C02	C03	sing	0.00Å	1.53Å
C04	C03	sing	0.00Å	1.53Å
C05	C04	sing	0.00Å	1.53Å
C06	C05	sing	0.00Å	1.53Å
C07	C06	sing	0.00Å	1.53Å
C08	C07	sing	0.00Å	1.53Å
C09	C08	sing	0.00Å	1.53Å
C11	O16	sing	0.00Å	1.39Å
C12	C11	sing	0.00Å	1.52Å
C13	C12	sing	0.00Å	1.53Å
C13	O10	sing	0.00Å	1.41Å
C14	O15	doub	0.00Å	1.19Å
C14	O16	sing	0.00Å	1.39Å
C02	C17	sing	0.00Å	1.52Å
C17	C14	sing	0.00Å	1.53Å
C12	O18	sing	0.00Å	1.41Å
C01	C19	sing	0.00Å	1.53Å
C19	C20	doub	0.00Å	1.53Å
C20	N21	sing	0.00Å	1.59Å
N21	B22	sing	0.00Å	1.53Å
B22	N23	sing	0.00Å	1.44Å
N23	C24	sing	0.00Å	1.44Å	Aromatic
C24	C19	sing	0.00Å	1.62Å
C20	C25	sing	0.00Å	1.41Å
C25	C26	doub	0.00Å	1.23Å
C26	C27	sing	0.00Å	1.24Å
C27	N21	doub	0.00Å	1.36Å
N23	C28	sing	0.00Å	1.35Å	Aromatic
C28	C29	doub	0.00Å	1.21Å	Aromatic
C29	C30	sing	0.00Å	1.21Å	Aromatic
C30	C24	doub	0.00Å	1.43Å	Aromatic
B22	F31	sing	0.00Å	1.66Å
B22	F32	sing	0.00Å	1.66Å
C27	C33	sing	0.00Å	1.53Å
C25	C34	sing	0.00Å	1.53Å
C30	C35	sing	0.00Å	1.53Å
C28	C36	sing	0.00Å	1.53Å
C11	H112	sing	0.00Å	1.10Å
C11	H111	sing	0.00Å	1.10Å
C12	H121	sing	0.00Å	1.10Å
C13	H132	sing	0.00Å	1.10Å
C13	H131	sing	0.00Å	1.10Å
C36	H361	sing	0.00Å	1.10Å
C36	H362	sing	0.00Å	1.10Å
C36	H363	sing	0.00Å	1.10Å
C35	H351	sing	0.00Å	1.10Å
C35	H353	sing	0.00Å	1.10Å
C35	H352	sing	0.00Å	1.10Å
C34	H341	sing	0.00Å	1.10Å
C34	H342	sing	0.00Å	1.10Å
C34	H343	sing	0.00Å	1.10Å
C33	H331	sing	0.00Å	1.10Å
C33	H333	sing	0.00Å	1.10Å
C33	H332	sing	0.00Å	1.10Å
C29	H291	sing	0.00Å	1.08Å
C26	H261	sing	0.00Å	1.08Å
C17	H172	sing	0.00Å	1.10Å
C17	H171	sing	0.00Å	1.10Å
C01	H011	sing	0.00Å	1.10Å
C01	H012	sing	0.00Å	1.10Å
C02	H021	sing	0.00Å	1.10Å
C02	H022	sing	0.00Å	1.10Å
C03	H031	sing	0.00Å	1.10Å
C03	H032	sing	0.00Å	1.10Å
C04	H041	sing	0.00Å	1.10Å
C04	H042	sing	0.00Å	1.10Å
C05	H052	sing	0.00Å	1.10Å
C05	H051	sing	0.00Å	1.10Å
C06	H062	sing	0.00Å	1.10Å
C06	H061	sing	0.00Å	1.10Å
C07	H072	sing	0.00Å	1.10Å
C07	H071	sing	0.00Å	1.10Å
C08	H082	sing	0.00Å	1.10Å
C08	H081	sing	0.00Å	1.10Å
C09	H092	sing	0.00Å	1.10Å
C09	H091	sing	0.00Å	1.10Å
O10	H101	sing	0.00Å	0.95Å
O18	H181	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C01	C09	C08	110.0°	90.0°
C09	C01	C19	108.8°	90.0°
C09	C01	H011	109.7°	90.0°
C09	C01	H012	109.6°	90.0°
C01	C09	H092	109.3°	90.0°
C01	C09	H091	109.3°	90.0°
C02	C03	C04	113.9°	90.0°
C03	C02	C17	112.5°	90.0°
C03	C02	H021	108.7°	90.0°
C03	C02	H022	108.7°	90.0°
C02	C03	H031	108.4°	90.0°
C02	C03	H032	108.4°	90.0°
C03	C04	C05	111.9°	90.0°
C04	C03	H031	108.3°	90.0°
C04	C03	H032	108.3°	90.0°
C03	C04	H041	108.8°	90.0°
C03	C04	H042	108.9°	90.0°
C04	C05	C06	109.4°	90.0°
C05	C04	H041	108.9°	90.0°
C05	C04	H042	108.9°	90.0°
C04	C05	H052	109.5°	90.0°
C04	C05	H051	109.5°	90.0°
C05	C06	C07	110.1°	90.0°
C06	C05	H052	109.5°	90.0°
C06	C05	H051	109.5°	90.0°
C05	C06	H062	109.3°	90.0°
C05	C06	H061	109.3°	90.0°
C06	C07	C08	109.1°	90.0°
C07	C06	H062	109.3°	90.0°
C07	C06	H061	109.3°	90.0°
C06	C07	H072	109.6°	90.0°
C06	C07	H071	109.5°	90.0°
C07	C08	C09	110.2°	90.0°
C08	C07	H072	109.6°	90.0°
C08	C07	H071	109.6°	90.0°
C07	C08	H082	109.3°	90.0°
C07	C08	H081	109.3°	90.0°
C09	C08	H082	109.3°	90.0°
C09	C08	H081	109.3°	90.0°
C08	C09	H092	109.4°	90.0°
C08	C09	H091	109.3°	90.0°
O16	C11	C12	104.9°	90.0°
C11	O16	C14	113.1°	90.0°
O16	C11	H112	110.6°	90.0°
O16	C11	H111	110.6°	90.0°
C11	C12	C13	108.0°	90.0°
C11	C12	O18	108.3°	90.0°
C12	C11	H112	110.6°	90.0°
C12	C11	H111	110.6°	90.0°
C11	C12	H121	109.3°	90.0°
C12	C13	O10	112.9°	90.0°
C13	C12	O18	111.0°	90.0°
C13	C12	H121	109.2°	90.0°
C12	C13	H132	108.6°	90.0°
C12	C13	H131	108.6°	90.0°
O10	C13	H132	108.6°	90.0°
O10	C13	H131	108.6°	90.0°
C13	O10	H101	109.5°	90.0°
O15	C14	O16	120.5°	90.0°
O15	C14	C17	122.6°	90.0°
O16	C14	C17	116.9°	90.0°
C02	C17	C14	111.8°	90.0°
C02	C17	H172	108.9°	90.0°
C02	C17	H171	108.9°	90.0°
C17	C02	H021	108.7°	90.0°
C17	C02	H022	108.7°	90.0°
C14	C17	H172	108.9°	90.0°
C14	C17	H171	108.9°	90.0°
O18	C12	H121	111.0°	90.0°
C12	O18	H181	109.5°	90.0°
C01	C19	C20	121.8°	90.0°
C01	C19	C24	122.1°	90.0°
C19	C01	H011	109.6°	90.0°
C19	C01	H012	109.7°	90.0°
C19	C20	N21	117.5°	90.0°
C20	C19	C24	114.4°	90.0°
C19	C20	C25	144.0°	90.0°
C20	N21	B22	123.8°	90.0°
N21	C20	C25	98.2°	90.0°
C20	N21	C27	100.2°	90.0°
N21	B22	N23	116.3°	90.0°
B22	N21	C27	135.7°	90.0°
N21	B22	F31	107.1°	90.0°
N21	B22	F32	103.4°	90.0°
B22	N23	C24	123.7°	90.0°
B22	N23	C28	135.7°	90.0°
N23	B22	F31	107.0°	90.0°
N23	B22	F32	109.5°	90.0°
N23	C24	C19	123.9°	90.0°
C24	N23	C28	100.2°	90.0°
N23	C24	C30	102.3°	90.0°
C19	C24	C30	133.4°	90.0°
C20	C25	C26	115.6°	90.0°
C20	C25	C34	121.3°	90.0°
C25	C26	C27	109.8°	90.0°
C26	C25	C34	123.0°	90.0°
C25	C26	H261	125.1°	90.0°
C26	C27	N21	116.2°	90.0°
C26	C27	C33	122.9°	90.0°
C27	C26	H261	125.1°	90.0°
N21	C27	C33	120.9°	90.0°
N23	C28	C29	116.7°	90.0°
N23	C28	C36	120.4°	90.0°
C28	C29	C30	110.3°	90.0°
C29	C28	C36	122.9°	90.0°
C28	C29	H291	124.8°	90.0°
C29	C30	C24	110.4°	90.0°
C29	C30	C35	126.0°	90.0°
C30	C29	H291	124.8°	90.0°
C24	C30	C35	123.6°	90.0°
F31	B22	F32	113.7°	90.0°
C27	C33	H331	109.5°	90.0°
C27	C33	H333	109.5°	90.0°
C27	C33	H332	109.5°	90.0°
C25	C34	H341	109.5°	90.0°
C25	C34	H342	109.4°	90.0°
C25	C34	H343	109.4°	90.0°
C30	C35	H351	109.5°	90.0°
C30	C35	H353	109.5°	90.0°
C30	C35	H352	109.5°	90.0°
C28	C36	H361	109.5°	90.0°
C28	C36	H362	109.5°	90.0°
C28	C36	H363	109.5°	90.0°
H112	C11	H111	109.5°	90.0°
H132	C13	H131	109.5°	90.0°
H361	C36	H362	109.5°	90.0°
H361	C36	H363	109.5°	90.0°
H362	C36	H363	109.5°	90.0°
H351	C35	H353	109.5°	90.0°
H351	C35	H352	109.4°	90.0°
H353	C35	H352	109.5°	90.0°
H341	C34	H342	109.5°	90.0°
H341	C34	H343	109.5°	90.0°
H342	C34	H343	109.5°	90.0°
H331	C33	H333	109.5°	90.0°
H331	C33	H332	109.5°	90.0°
H333	C33	H332	109.4°	90.0°
H172	C17	H171	109.5°	90.0°
H011	C01	H012	109.4°	90.0°
H021	C02	H022	109.5°	90.0°
H031	C03	H032	109.4°	90.0°
H041	C04	H042	109.5°	90.0°
H052	C05	H051	109.5°	90.0°
H062	C06	H061	109.5°	90.0°
H072	C07	H071	109.5°	90.0°
H082	C08	H081	109.5°	90.0°
H092	C09	H091	109.4°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C01	C09	C08	C07	102.4°	90.0°
C01	C09	C08	H092	120.1°	90.0°
C01	C09	C08	H091	120.1°	90.0°
C09	C01	C19	H011	119.9°	90.0°
C09	C01	C19	H012	119.9°	90.0°
C09	C01	C19	C20	61.1°	90.0°
C09	C01	C19	C24	103.1°	90.0°
C09	C01	H011	H012	120.3°	90.0°
C01	C09	C08	H082	137.5°	90.0°
C01	C09	C08	H081	17.7°	90.0°
C01	C09	H092	H091	119.7°	90.0°
C02	C03	C04	H031	120.7°	90.0°
C02	C03	C04	H032	120.7°	90.0°
C02	C03	C04	C05	95.7°	90.0°
C03	C02	C17	H021	120.4°	90.0°
C03	C02	C17	H022	120.4°	90.0°
C03	C02	C17	C14	89.0°	90.0°
C03	C02	C17	H172	150.7°	90.0°
C03	C02	C17	H171	31.4°	90.0°
C03	C02	H021	H022	118.6°	90.0°
C02	C03	H031	H032	118.0°	90.0°
C02	C03	C04	H041	144.0°	90.0°
C02	C03	C04	H042	24.7°	90.0°
C03	C04	C05	H041	120.3°	90.0°
C03	C04	C05	H042	120.4°	90.0°
C03	C04	C05	C06	178.0°	90.0°
C04	C03	C02	C17	54.3°	90.0°
C04	C03	C02	H021	174.7°	90.0°
C04	C03	C02	H022	66.2°	90.0°
C04	C03	H031	H032	117.9°	90.0°
C03	C04	H041	H042	118.9°	90.0°
C03	C04	C05	H052	62.0°	90.0°
C03	C04	C05	H051	58.1°	90.0°
C04	C05	C06	H052	120.0°	90.0°
C04	C05	C06	H051	120.0°	90.0°
C04	C05	C06	C07	178.9°	90.0°
C05	C04	C03	H031	25.0°	90.0°
C05	C04	C03	H032	143.7°	90.0°
C05	C04	H041	H042	118.9°	90.0°
C04	C05	H052	H051	120.1°	90.0°
C04	C05	C06	H062	58.8°	90.0°
C04	C05	C06	H061	61.0°	90.0°
C05	C06	C07	H062	120.1°	90.0°
C05	C06	C07	H061	120.1°	90.0°
C05	C06	C07	C08	101.3°	90.0°
C06	C05	C04	H041	57.7°	90.0°
C06	C05	C04	H042	61.6°	90.0°
C06	C05	H052	H051	120.0°	90.0°
C05	C06	H062	H061	119.7°	90.0°
C05	C06	C07	H072	18.6°	90.0°
C05	C06	C07	H071	138.7°	90.0°
C06	C07	C08	H072	120.0°	90.0°
C06	C07	C08	H071	119.9°	90.0°
C06	C07	C08	C09	177.6°	90.0°
C07	C06	C05	H052	61.1°	90.0°
C07	C06	C05	H051	58.9°	90.0°
C07	C06	H062	H061	119.7°	90.0°
C06	C07	H072	H071	120.2°	90.0°
C06	C07	C08	H082	57.5°	90.0°
C06	C07	C08	H081	62.3°	90.0°
C07	C08	C09	H082	120.1°	90.0°
C07	C08	C09	H081	120.1°	90.0°
C08	C07	C06	H062	138.6°	90.0°
C08	C07	C06	H061	18.8°	90.0°
C08	C07	H072	H071	120.2°	90.0°
C07	C08	H082	H081	119.6°	90.0°
C07	C08	C09	H092	137.5°	90.0°
C07	C08	C09	H091	17.7°	90.0°
C08	C09	C01	C19	71.3°	90.0°
C08	C09	C01	H011	168.8°	90.0°
C08	C09	C01	H012	48.6°	90.0°
C09	C08	C07	H072	62.4°	90.0°
C09	C08	C07	H071	57.7°	90.0°
C09	C08	H082	H081	119.6°	90.0°
C08	C09	H092	H091	119.8°	90.0°
O16	C11	C12	H112	119.3°	90.0°
O16	C11	C12	H111	119.2°	90.0°
O16	C11	C12	C13	64.0°	90.0°
C11	O16	C14	O15	24.9°	90.0°
C11	O16	C14	C17	154.7°	90.0°
O16	C11	C12	O18	56.3°	90.0°
O16	C11	H112	H111	122.1°	90.0°
O16	C11	C12	H121	177.3°	90.0°
C11	C12	C13	O18	118.6°	90.0°
C11	C12	C13	H121	118.8°	90.0°
C11	C12	C13	O10	10.3°	90.0°
C12	C11	O16	C14	163.3°	90.0°
C11	C12	O18	H121	120.0°	90.0°
C12	C11	H112	H111	122.1°	90.0°
C11	C12	C13	H132	110.3°	90.0°
C11	C12	C13	H131	130.8°	90.0°
C11	C12	O18	H181	180.0°	90.0°
C12	C13	O10	H132	120.5°	90.0°
C12	C13	O10	H131	120.5°	90.0°
C13	C12	O18	H121	121.6°	90.0°
C13	C12	C11	H112	55.3°	90.0°
C13	C12	C11	H111	176.8°	90.0°
C12	C13	H132	H131	118.4°	90.0°
C12	C13	O10	H101	180.0°	90.0°
C13	C12	O18	H181	61.6°	90.0°
O10	C13	C12	O18	108.3°	90.0°
O10	C13	C12	H121	129.0°	90.0°
O10	C13	H132	H131	118.4°	90.0°
O15	C14	O16	C17	179.5°	90.0°
O15	C14	C17	C02	6.6°	90.0°
O15	C14	C17	H172	113.8°	90.0°
O15	C14	C17	H171	126.9°	90.0°
O16	C14	C17	C02	173.9°	90.0°
C14	O16	C11	H112	44.0°	90.0°
C14	O16	C11	H111	77.5°	90.0°
O16	C14	C17	H172	65.8°	90.0°
O16	C14	C17	H171	53.5°	90.0°
C02	C17	C14	H172	120.4°	90.0°
C02	C17	C14	H171	120.3°	90.0°
C02	C17	H172	H171	118.9°	90.0°
C17	C02	H021	H022	118.6°	90.0°
C17	C02	C03	H031	174.9°	90.0°
C17	C02	C03	H032	66.4°	90.0°
C14	C17	H172	H171	118.9°	90.0°
C14	C17	C02	H021	31.5°	90.0°
C14	C17	C02	H022	150.6°	90.0°
O18	C12	C11	H112	175.6°	90.0°
O18	C12	C11	H111	62.9°	90.0°
O18	C12	C13	H132	131.2°	90.0°
O18	C12	C13	H131	12.2°	90.0°
C01	C19	C20	C24	165.4°	90.0°
C01	C19	C20	N21	161.1°	90.0°
C01	C19	C24	N23	161.0°	90.0°
C01	C19	C20	C25	10.0°	90.0°
C01	C19	C24	C30	27.0°	90.0°
C19	C01	H011	H012	120.3°	90.0°
C19	C01	C09	H092	168.6°	90.0°
C19	C01	C09	H091	48.8°	90.0°
C19	C20	N21	C25	174.7°	90.0°
C19	C20	N21	B22	0.3°	90.0°
C20	C19	C24	N23	4.4°	90.0°
C19	C20	C25	C26	172.6°	90.0°
C19	C20	N21	C27	174.7°	90.0°
C20	C19	C24	C30	167.7°	90.0°
C19	C20	C25	C34	8.2°	90.0°
C20	C19	C01	H011	58.8°	90.0°
C20	C19	C01	H012	179.0°	90.0°
C20	N21	B22	C27	172.9°	90.0°
C20	N21	B22	N23	4.4°	90.0°
N21	C20	C19	C24	4.3°	90.0°
N21	C20	C25	C26	0.6°	90.0°
C20	N21	C27	C26	0.6°	90.0°
C20	N21	B22	F31	124.0°	90.0°
C20	N21	B22	F32	115.7°	90.0°
C20	N21	C27	C33	179.9°	90.0°
N21	C20	C25	C34	179.7°	90.0°
N21	B22	N23	F31	119.6°	90.0°
N21	B22	N23	F32	116.7°	90.0°
N21	B22	N23	C24	4.7°	90.0°
B22	N21	C20	C25	175.0°	90.0°
B22	N21	C27	C26	174.6°	90.0°
N21	B22	N23	C28	167.3°	90.0°
N21	B22	F31	F32	113.6°	90.0°
B22	N21	C27	C33	6.1°	90.0°
B22	N23	C24	C28	174.3°	90.0°
B22	N23	C24	C19	0.4°	90.0°
N23	B22	N21	C27	177.3°	90.0°
B22	N23	C28	C29	174.1°	90.0°
B22	N23	C24	C30	174.5°	90.0°
N23	B22	F31	F32	121.0°	90.0°
B22	N23	C28	C36	7.0°	90.0°
N23	C24	C19	C30	172.1°	90.0°
C24	N23	C28	C29	0.9°	90.0°
N23	C24	C30	C29	0.5°	90.0°
C24	N23	B22	F31	124.3°	90.0°
C24	N23	B22	F32	112.1°	90.0°
N23	C24	C30	C35	179.8°	90.0°
C24	N23	C28	C36	179.8°	90.0°
C24	C19	C20	C25	175.4°	90.0°
C19	C24	N23	C28	173.9°	90.0°
C19	C24	C30	C29	173.8°	90.0°
C19	C24	C30	C35	6.9°	90.0°
C24	C19	C01	H011	136.9°	90.0°
C24	C19	C01	H012	16.8°	90.0°
C20	C25	C26	C34	179.2°	90.0°
C20	C25	C26	C27	1.0°	90.0°
C25	C20	N21	C27	0.0°	90.0°
C20	C25	C34	H341	180.0°	90.0°
C20	C25	C34	H342	60.0°	90.0°
C20	C25	C34	H343	60.0°	90.0°
C20	C25	C26	H261	179.1°	90.0°
C25	C26	C27	H261	180.0°	90.0°
C25	C26	C27	N21	1.0°	90.0°
C25	C26	C27	C33	179.7°	90.0°
C26	C25	C34	H341	0.9°	90.0°
C26	C25	C34	H342	120.9°	90.0°
C26	C25	C34	H343	119.1°	90.0°
C26	C27	N21	C33	179.3°	90.0°
C27	C26	C25	C34	179.9°	90.0°
C26	C27	C33	H331	180.0°	90.0°
C26	C27	C33	H333	60.0°	90.0°
C26	C27	C33	H332	60.0°	90.0°
C27	N21	B22	F31	63.1°	90.0°
C27	N21	B22	F32	57.2°	90.0°
N21	C27	C33	H331	0.7°	90.0°
N21	C27	C33	H333	120.8°	90.0°
N21	C27	C33	H332	119.3°	90.0°
N21	C27	C26	H261	179.0°	90.0°
N23	C28	C29	C36	178.9°	90.0°
N23	C28	C29	C30	1.3°	90.0°
C28	N23	C24	C30	0.2°	90.0°
C28	N23	B22	F31	47.6°	90.0°
C28	N23	B22	F32	76.0°	90.0°
N23	C28	C36	H361	90.5°	90.0°
N23	C28	C36	H362	149.4°	90.0°
N23	C28	C36	H363	29.5°	90.0°
N23	C28	C29	H291	178.7°	90.0°
C28	C29	C30	H291	180.0°	90.0°
C28	C29	C30	C24	1.1°	90.0°
C28	C29	C30	C35	179.7°	90.0°
C29	C28	C36	H361	90.6°	90.0°
C29	C28	C36	H362	29.4°	90.0°
C29	C28	C36	H363	149.4°	90.0°
C29	C30	C24	C35	179.3°	90.0°
C30	C29	C28	C36	179.8°	90.0°
C29	C30	C35	H351	90.4°	90.0°
C29	C30	C35	H353	149.6°	90.0°
C29	C30	C35	H352	29.6°	90.0°
C24	C30	C35	H351	90.4°	90.0°
C24	C30	C35	H353	29.6°	90.0°
C24	C30	C35	H352	149.6°	90.0°
C24	C30	C29	H291	178.9°	90.0°
C27	C33	H331	H333	120.0°	90.0°
C27	C33	H331	H332	120.0°	90.0°
C27	C33	H333	H332	120.0°	90.0°
C33	C27	C26	H261	0.3°	90.0°
C25	C34	H341	H342	120.0°	90.0°
C25	C34	H341	H343	120.0°	90.0°
C25	C34	H342	H343	120.0°	90.0°
C34	C25	C26	H261	0.1°	90.0°
C30	C35	H351	H353	120.0°	90.0°
C30	C35	H351	H352	120.0°	90.0°
C30	C35	H353	H352	120.0°	90.0°
C35	C30	C29	H291	0.3°	90.0°
C28	C36	H361	H362	120.0°	90.0°
C28	C36	H361	H363	120.0°	90.0°
C28	C36	H362	H363	120.0°	90.0°
C36	C28	C29	H291	0.2°	90.0°
H112	C11	C12	H121	63.4°	90.0°
H111	C11	C12	H121	58.1°	90.0°
H121	C12	C13	H132	8.5°	90.0°
H121	C12	C13	H131	110.4°	90.0°
H121	C12	O18	H181	60.0°	90.0°
H132	C13	O10	H101	59.5°	90.0°
H131	C13	O10	H101	59.5°	90.0°
H361	C36	H362	H363	120.0°	90.0°
H351	C35	H353	H352	120.0°	90.0°
H341	C34	H342	H343	120.0°	90.0°
H331	C33	H333	H332	120.0°	90.0°
H172	C17	C02	H021	88.9°	90.0°
H172	C17	C02	H022	30.3°	90.0°
H171	C17	C02	H021	151.9°	90.0°
H171	C17	C02	H022	89.0°	90.0°
H011	C01	C09	H092	48.7°	90.0°
H011	C01	C09	H091	71.1°	90.0°
H012	C01	C09	H092	71.5°	90.0°
H012	C01	C09	H091	168.7°	90.0°
H021	C02	C03	H031	64.6°	90.0°
H021	C02	C03	H032	54.1°	90.0°
H022	C02	C03	H031	54.5°	90.0°
H022	C02	C03	H032	173.2°	90.0°
H031	C03	C04	H041	95.3°	90.0°
H031	C03	C04	H042	145.4°	90.0°
H032	C03	C04	H041	23.3°	90.0°
H032	C03	C04	H042	95.9°	90.0°
H041	C04	C05	H052	177.7°	90.0°
H041	C04	C05	H051	62.3°	90.0°
H042	C04	C05	H052	58.4°	90.0°
H042	C04	C05	H051	178.4°	90.0°
H052	C05	C06	H062	178.7°	90.0°
H052	C05	C06	H061	59.0°	90.0°
H051	C05	C06	H062	61.2°	90.0°
H051	C05	C06	H061	179.0°	90.0°
H062	C06	C07	H072	101.5°	90.0°
H062	C06	C07	H071	18.6°	90.0°
H061	C06	C07	H072	138.7°	90.0°
H061	C06	C07	H071	101.2°	90.0°
H072	C07	C08	H082	177.4°	90.0°
H072	C07	C08	H081	57.7°	90.0°
H071	C07	C08	H082	62.4°	90.0°
H071	C07	C08	H081	177.8°	90.0°
H082	C08	C09	H092	17.4°	90.0°
H082	C08	C09	H091	102.4°	90.0°
H081	C08	C09	H092	102.4°	90.0°
H081	C08	C09	H091	137.8°	90.0°

Release date:	2024-04-17
Definition date:	2024-04-09
Last modified:	2024-04-12
Release status:	REL
Processing site:	RCSB
Derived from:	9BCB