DWQ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
CAK	CAL	doub	1.38Å	1.38Å	Aromatic
CAK	CAM	sing	1.38Å	1.37Å	Aromatic
CAL	CBP	sing	1.39Å	1.36Å	Aromatic
OAC	CBN	doub	1.21Å	1.21Å
CAM	CBQ	doub	1.40Å	1.37Å	Aromatic
CBN	NBG	sing	1.35Å	1.32Å
CBN	CBC	sing	1.51Å	1.49Å
CBP	NBG	sing	1.40Å	1.31Å
CBP	CAP	doub	1.39Å	1.37Å	Aromatic
CBC	OBK	sing	1.43Å	1.40Å
CBQ	CAP	sing	1.39Å	1.37Å	Aromatic
CBQ	CBO	sing	1.48Å	1.38Å
NBF	CBO	sing	1.35Å	1.30Å
NBF	CAT	sing	1.46Å	1.45Å
OBK	CBR	sing	1.36Å	1.35Å
CBO	OAD	doub	1.22Å	1.21Å
CAT	CAU	sing	1.53Å	1.51Å
OAH	PBT	doub	1.48Å	1.43Å
CBR	CAN	doub	1.39Å	1.37Å	Aromatic
CBR	CBS	sing	1.39Å	1.38Å	Aromatic
CAU	OBH	sing	1.43Å	1.39Å
CAN	CAI	sing	1.38Å	1.37Å	Aromatic
CAX	CAY	sing	1.53Å	1.52Å
CAX	OBI	sing	1.43Å	1.42Å
OAE	PBT	sing	1.61Å	1.40Å
CAW	OBI	sing	1.43Å	1.42Å
CAW	CAV	sing	1.53Å	1.51Å
PBT	CBS	sing	1.81Å	1.59Å
PBT	OAG	sing	1.61Å	1.44Å
CAY	OBJ	sing	1.43Å	1.42Å
CBS	CAO	doub	1.38Å	1.37Å	Aromatic
OBH	CAV	sing	1.43Å	1.41Å
CAZ	OBJ	sing	1.43Å	1.42Å
CAZ	CBB	sing	1.53Å	1.53Å
CAI	CAJ	doub	1.38Å	1.37Å	Aromatic
CAO	CAJ	sing	1.38Å	1.37Å	Aromatic
CBB	CBM	sing	1.51Å	1.52Å
CBM	OAB	doub	1.21Å	1.22Å
CBM	NBE	sing	1.35Å	1.34Å
NBE	CAS	sing	1.47Å	1.47Å
CAS	CAR	sing	1.53Å	1.52Å
OAG	H1	sing	0.97Å	0.95Å
OAE	H2	sing	0.97Å	0.95Å
CAO	H3	sing	1.08Å	1.08Å
CAJ	H4	sing	1.08Å	1.08Å
CAI	H5	sing	1.08Å	1.08Å
CAN	H6	sing	1.08Å	1.08Å
CBC	H7	sing	1.09Å	1.10Å
CBC	H8	sing	1.09Å	1.10Å
NBG	H9	sing	0.97Å	1.00Å
CAP	H10	sing	1.08Å	1.08Å
CAL	H11	sing	1.08Å	1.08Å
CAK	H12	sing	1.08Å	1.08Å
CAM	H13	sing	1.08Å	1.08Å
NBF	H14	sing	0.97Å	1.00Å
CAT	H15	sing	1.09Å	1.10Å
CAT	H16	sing	1.09Å	1.10Å
CAU	H17	sing	1.09Å	1.10Å
CAU	H18	sing	1.09Å	1.10Å
CAV	H19	sing	1.09Å	1.10Å
CAV	H20	sing	1.09Å	1.10Å
CAW	H21	sing	1.09Å	1.10Å
CAW	H22	sing	1.09Å	1.10Å
CAX	H23	sing	1.09Å	1.10Å
CAX	H24	sing	1.09Å	1.10Å
CAY	H25	sing	1.09Å	1.10Å
CAY	H26	sing	1.09Å	1.10Å
CAZ	H27	sing	1.09Å	1.10Å
CAZ	H28	sing	1.09Å	1.10Å
CBB	H29	sing	1.09Å	1.10Å
CBB	H30	sing	1.09Å	1.10Å
NBE	H31	sing	0.97Å	1.00Å
CAS	H32	sing	1.09Å	1.10Å
CAS	H33	sing	1.09Å	1.10Å
CAR	H34	sing	1.09Å	1.10Å
CAR	H35	sing	1.09Å	1.10Å
CAR	C1	sing	1.53Å	20.27Å
C1	O1	sing	1.43Å	0.00Å
O1	C2	sing	1.43Å	0.00Å
C2	C3	sing	1.53Å	0.00Å
C3	O2	sing	1.43Å	0.00Å
O2	C5	sing	1.43Å	0.00Å
C5	C6	sing	1.53Å	0.00Å
C6	O3	sing	1.43Å	0.00Å
O3	C8	sing	1.43Å	0.00Å
C8	C9	sing	1.53Å	0.00Å
C9	C10	sing	1.53Å	0.00Å
C10	N1	sing	1.46Å	0.00Å
N1	C4	sing	1.35Å	0.00Å
C4	O4	doub	1.21Å	0.00Å
C4	C11	sing	1.51Å	0.00Å
C11	C7	sing	1.53Å	0.00Å
C7	O5	sing	1.43Å	0.00Å
O5	C13	sing	1.43Å	0.00Å
C13	C14	sing	1.53Å	0.00Å
C14	C15	sing	1.53Å	0.00Å
C15	C16	sing	1.53Å	0.00Å
C16	C17	sing	1.53Å	0.00Å
C17	O6	sing	1.43Å	0.00Å
O6	C19	sing	1.43Å	0.00Å
C19	C20	sing	1.53Å	0.00Å
C20	N2	sing	1.47Å	0.00Å
N2	C12	sing	1.35Å	0.00Å
C12	C18	sing	1.48Å	0.00Å
C12	O7	doub	1.22Å	0.00Å
C18	C21	sing	1.40Å	0.00Å	Aromatic
C21	C22	doub	1.39Å	0.00Å	Aromatic
C22	C23	sing	1.39Å	0.00Å	Aromatic
C23	C24	doub	1.38Å	0.00Å	Aromatic
C24	C25	sing	1.38Å	0.00Å	Aromatic
C25	C18	doub	1.40Å	0.00Å	Aromatic
C22	N4	sing	1.40Å	0.00Å
N4	C27	sing	1.35Å	0.00Å
C27	C28	sing	1.51Å	0.00Å
C27	O8	doub	1.21Å	0.00Å
C28	O9	sing	1.43Å	0.00Å
O9	C26	sing	1.36Å	0.00Å
C26	C29	sing	1.39Å	0.00Å	Aromatic
C29	C30	doub	1.38Å	0.00Å	Aromatic
C30	C31	sing	1.38Å	0.00Å	Aromatic
C31	C32	doub	1.38Å	0.00Å	Aromatic
C32	C33	sing	1.38Å	0.00Å	Aromatic
C33	C26	doub	1.39Å	0.00Å	Aromatic
C33	P1	sing	1.81Å	0.00Å
P1	O10	doub	1.48Å	0.00Å
P1	O11	sing	1.61Å	0.00Å
P1	O12	sing	1.61Å	0.00Å
C1	H36	sing	1.09Å	0.00Å
C1	H37	sing	1.09Å	0.00Å
C2	H38	sing	1.09Å	0.00Å
C2	H39	sing	1.09Å	0.00Å
C3	H40	sing	1.09Å	0.00Å
C3	H41	sing	1.09Å	0.00Å
C5	H42	sing	1.09Å	0.00Å
C5	H43	sing	1.09Å	0.00Å
C6	H44	sing	1.09Å	0.00Å
C6	H45	sing	1.09Å	0.00Å
C8	H46	sing	1.09Å	0.00Å
C8	H47	sing	1.09Å	0.00Å
C9	H48	sing	1.09Å	0.00Å
C9	H49	sing	1.09Å	0.00Å
C10	H50	sing	1.09Å	0.00Å
C10	H51	sing	1.09Å	0.00Å
N1	H52	sing	0.97Å	0.00Å
C11	H53	sing	1.09Å	0.00Å
C11	H54	sing	1.09Å	0.00Å
C7	H55	sing	1.09Å	0.00Å
C7	H56	sing	1.09Å	0.00Å
C13	H57	sing	1.09Å	0.00Å
C13	H58	sing	1.09Å	0.00Å
C14	H59	sing	1.09Å	0.00Å
C14	H60	sing	1.09Å	0.00Å
C15	H61	sing	1.09Å	0.00Å
C15	H62	sing	1.09Å	0.00Å
C16	H63	sing	1.09Å	0.00Å
C16	H64	sing	1.09Å	0.00Å
C17	H65	sing	1.09Å	0.00Å
C17	H66	sing	1.09Å	0.00Å
C19	H67	sing	1.09Å	0.00Å
C19	H68	sing	1.09Å	0.00Å
C20	H69	sing	1.09Å	0.00Å
C20	H70	sing	1.09Å	0.00Å
N2	H71	sing	0.97Å	0.00Å
C21	H72	sing	1.08Å	0.00Å
C23	H73	sing	1.08Å	0.00Å
C24	H74	sing	1.08Å	0.00Å
C25	H75	sing	1.08Å	0.00Å
N4	H76	sing	0.97Å	0.00Å
C28	H77	sing	1.09Å	0.00Å
C28	H78	sing	1.09Å	0.00Å
C29	H79	sing	1.08Å	0.00Å
C30	H80	sing	1.08Å	0.00Å
C31	H81	sing	1.08Å	0.00Å
C32	H82	sing	1.08Å	0.00Å
O11	H83	sing	0.97Å	0.00Å
O12	H84	sing	0.97Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
CAL	CAK	CAM	121.2°	120.2°
CAK	CAL	CBP	118.8°	120.2°
CAK	CAL	H11	120.6°	119.9°
CAL	CAK	H12	119.4°	119.9°
CAK	CAM	CBQ	119.8°	120.0°
CAM	CAK	H12	119.4°	119.9°
CAK	CAM	H13	120.1°	120.0°
CAL	CBP	NBG	121.7°	120.0°
CAL	CBP	CAP	119.8°	120.0°
CBP	CAL	H11	120.6°	119.9°
OAC	CBN	NBG	125.8°	120.0°
OAC	CBN	CBC	120.3°	120.0°
CAM	CBQ	CAP	118.8°	119.8°
CAM	CBQ	CBO	121.7°	120.1°
CBQ	CAM	H13	120.1°	120.0°
NBG	CBN	CBC	114.0°	120.0°
CBN	NBG	CBP	120.7°	120.0°
CBN	NBG	H9	119.7°	120.0°
CBN	CBC	OBK	108.9°	109.5°
CBN	CBC	H7	109.6°	109.5°
CBN	CBC	H8	109.6°	109.5°
NBG	CBP	CAP	118.4°	120.0°
CBP	NBG	H9	119.6°	120.0°
CBP	CAP	CBQ	121.6°	119.7°
CBP	CAP	H10	119.2°	120.1°
CBC	OBK	CBR	117.7°	117.0°
OBK	CBC	H7	109.6°	109.5°
OBK	CBC	H8	109.6°	109.4°
CAP	CBQ	CBO	119.6°	120.0°
CBQ	CAP	H10	119.2°	120.2°
CBQ	CBO	NBF	116.4°	120.0°
CBQ	CBO	OAD	121.3°	120.0°
CBO	NBF	CAT	121.2°	120.0°
NBF	CBO	OAD	122.3°	120.0°
CBO	NBF	H14	119.4°	119.9°
NBF	CAT	CAU	110.3°	109.5°
CAT	NBF	H14	119.4°	120.0°
NBF	CAT	H15	109.3°	109.5°
NBF	CAT	H16	109.3°	109.4°
OBK	CBR	CAN	123.5°	120.0°
OBK	CBR	CBS	115.9°	120.1°
CAT	CAU	OBH	107.0°	109.4°
CAU	CAT	H15	109.3°	109.5°
CAU	CAT	H16	109.3°	109.4°
CAT	CAU	H17	110.1°	109.5°
CAT	CAU	H18	110.1°	109.5°
OAH	PBT	OAE	106.9°	109.5°
OAH	PBT	CBS	113.7°	109.5°
OAH	PBT	OAG	99.0°	109.5°
CAN	CBR	CBS	120.6°	119.9°
CBR	CAN	CAI	120.4°	119.9°
CBR	CAN	H6	119.8°	120.1°
CBR	CBS	PBT	122.6°	120.0°
CBR	CBS	CAO	118.3°	120.0°
CAU	OBH	CAV	110.5°	114.0°
OBH	CAU	H17	110.1°	109.5°
OBH	CAU	H18	110.1°	109.4°
CAN	CAI	CAJ	119.1°	120.1°
CAN	CAI	H5	120.4°	120.0°
CAI	CAN	H6	119.8°	120.0°
CAY	CAX	OBI	109.5°	109.5°
CAX	CAY	OBJ	110.5°	109.5°
CAY	CAX	H23	109.5°	109.5°
CAY	CAX	H24	109.4°	109.5°
CAX	CAY	H25	109.2°	109.4°
CAX	CAY	H26	109.2°	109.4°
CAX	OBI	CAW	109.1°	114.0°
OBI	CAX	H23	109.5°	109.5°
OBI	CAX	H24	109.5°	109.4°
OAE	PBT	CBS	119.1°	109.5°
OAE	PBT	OAG	105.8°	109.5°
PBT	OAE	H2	109.5°	114.0°
OBI	CAW	CAV	110.2°	109.5°
OBI	CAW	H21	109.3°	109.5°
OBI	CAW	H22	109.3°	109.5°
CAW	CAV	OBH	108.4°	109.5°
CAW	CAV	H19	109.8°	109.5°
CAW	CAV	H20	109.7°	109.5°
CAV	CAW	H21	109.3°	109.5°
CAV	CAW	H22	109.3°	109.5°
CBS	PBT	OAG	110.3°	109.5°
PBT	CBS	CAO	119.1°	120.0°
PBT	OAG	H1	109.5°	114.0°
CAY	OBJ	CAZ	110.3°	114.0°
OBJ	CAY	H25	109.2°	109.5°
OBJ	CAY	H26	109.2°	109.5°
CBS	CAO	CAJ	121.1°	120.0°
CBS	CAO	H3	119.5°	120.0°
OBH	CAV	H19	109.7°	109.5°
OBH	CAV	H20	109.7°	109.5°
OBJ	CAZ	CBB	111.4°	109.5°
OBJ	CAZ	H27	109.0°	109.4°
OBJ	CAZ	H28	109.0°	109.5°
CAZ	CBB	CBM	110.6°	109.4°
CBB	CAZ	H27	109.0°	109.5°
CBB	CAZ	H28	109.0°	109.5°
CAZ	CBB	H29	109.2°	109.5°
CAZ	CBB	H30	109.2°	109.5°
CAI	CAJ	CAO	120.5°	120.1°
CAI	CAJ	H4	119.8°	120.0°
CAJ	CAI	H5	120.4°	119.9°
CAJ	CAO	H3	119.5°	119.9°
CAO	CAJ	H4	119.8°	120.0°
CBB	CBM	OAB	120.4°	120.0°
CBB	CBM	NBE	115.4°	120.0°
CBM	CBB	H29	109.2°	109.5°
CBM	CBB	H30	109.2°	109.4°
OAB	CBM	NBE	124.1°	120.0°
CBM	NBE	CAS	123.2°	120.0°
CBM	NBE	H31	118.4°	120.0°
NBE	CAS	CAR	110.6°	109.4°
CAS	NBE	H31	118.4°	120.0°
NBE	CAS	H32	109.2°	109.5°
NBE	CAS	H33	109.2°	109.5°
CAR	CAS	H32	109.2°	109.5°
CAR	CAS	H33	109.2°	109.5°
CAS	CAR	H34	125.1°	109.5°
CAS	CAR	H35	125.1°	109.5°
CAS	CAR	C1	10.1°	109.5°
H7	CBC	H8	109.5°	109.5°
H15	CAT	H16	109.4°	109.5°
H17	CAU	H18	109.5°	109.5°
H19	CAV	H20	109.5°	109.4°
H21	CAW	H22	109.5°	109.5°
H23	CAX	H24	109.4°	109.5°
H25	CAY	H26	109.5°	109.5°
H27	CAZ	H28	109.5°	109.4°
H29	CBB	H30	109.5°	109.5°
H32	CAS	H33	109.5°	109.5°
H34	CAR	H35	109.5°	109.5°
H34	CAR	C1	125.1°	109.4°
H35	CAR	C1	125.1°	109.5°
CAR	C1	O1	90.0°	109.5°
CAR	C1	H36	90.0°	109.5°
CAR	C1	H37	90.0°	109.5°
C1	O1	C2	90.0°	114.0°
O1	C1	H36	90.0°	109.5°
O1	C1	H37	90.0°	109.5°
O1	C2	C3	90.0°	109.5°
O1	C2	H38	90.0°	109.5°
O1	C2	H39	90.0°	109.5°
C2	C3	O2	90.0°	109.4°
C3	C2	H38	90.0°	109.5°
C3	C2	H39	90.0°	109.4°
C2	C3	H40	90.0°	109.5°
C2	C3	H41	90.0°	109.5°
C3	O2	C5	90.0°	114.0°
O2	C3	H40	90.0°	109.5°
O2	C3	H41	90.0°	109.5°
O2	C5	C6	90.0°	109.5°
O2	C5	H42	90.0°	109.4°
O2	C5	H43	90.0°	109.5°
C5	C6	O3	90.0°	109.5°
C6	C5	H42	90.0°	109.5°
C6	C5	H43	90.0°	109.5°
C5	C6	H44	90.0°	109.5°
C5	C6	H45	90.0°	109.5°
C6	O3	C8	90.0°	114.0°
O3	C6	H44	90.0°	109.5°
O3	C6	H45	90.0°	109.5°
O3	C8	C9	90.0°	109.5°
O3	C8	H46	90.0°	109.4°
O3	C8	H47	90.0°	109.5°
C8	C9	C10	90.0°	109.5°
C9	C8	H46	90.0°	109.5°
C9	C8	H47	90.0°	109.5°
C8	C9	H48	90.0°	109.5°
C8	C9	H49	90.0°	109.5°
C9	C10	N1	90.0°	109.5°
C10	C9	H48	90.0°	109.5°
C10	C9	H49	90.0°	109.4°
C9	C10	H50	90.0°	109.4°
C9	C10	H51	90.0°	109.5°
C10	N1	C4	90.0°	120.0°
N1	C10	H50	90.0°	109.4°
N1	C10	H51	90.0°	109.5°
C10	N1	H52	90.0°	120.0°
N1	C4	O4	90.0°	120.0°
N1	C4	C11	90.0°	120.0°
C4	N1	H52	90.0°	120.0°
O4	C4	C11	90.0°	120.0°
C4	C11	C7	90.0°	109.4°
C4	C11	H53	90.0°	109.5°
C4	C11	H54	90.0°	109.5°
C11	C7	O5	90.0°	109.5°
C7	C11	H53	90.0°	109.5°
C7	C11	H54	90.0°	109.4°
C11	C7	H55	90.0°	109.5°
C11	C7	H56	90.0°	109.5°
C7	O5	C13	90.0°	114.0°
O5	C7	H55	90.0°	109.4°
O5	C7	H56	90.0°	109.5°
O5	C13	C14	90.0°	109.5°
O5	C13	H57	90.0°	109.5°
O5	C13	H58	90.0°	109.4°
C13	C14	C15	90.0°	109.5°
C14	C13	H57	90.0°	109.5°
C14	C13	H58	90.0°	109.4°
C13	C14	H59	90.0°	109.5°
C13	C14	H60	90.0°	109.5°
C14	C15	C16	90.0°	109.5°
C15	C14	H59	90.0°	109.5°
C15	C14	H60	90.0°	109.5°
C14	C15	H61	90.0°	109.5°
C14	C15	H62	90.0°	109.5°
C15	C16	C17	90.0°	109.5°
C16	C15	H61	90.0°	109.4°
C16	C15	H62	90.0°	109.5°
C15	C16	H63	90.0°	109.4°
C15	C16	H64	90.0°	109.5°
C16	C17	O6	90.0°	109.5°
C17	C16	H63	90.0°	109.5°
C17	C16	H64	90.0°	109.5°
C16	C17	H65	90.0°	109.4°
C16	C17	H66	90.0°	109.5°
C17	O6	C19	90.0°	114.0°
O6	C17	H65	90.0°	109.5°
O6	C17	H66	90.0°	109.5°
O6	C19	C20	90.0°	109.5°
O6	C19	H67	90.0°	109.4°
O6	C19	H68	90.0°	109.5°
C19	C20	N2	90.0°	109.5°
C20	C19	H67	90.0°	109.5°
C20	C19	H68	90.0°	109.5°
C19	C20	H69	90.0°	109.5°
C19	C20	H70	90.0°	109.5°
C20	N2	C12	90.0°	120.0°
N2	C20	H69	90.0°	109.4°
N2	C20	H70	90.0°	109.5°
C20	N2	H71	90.0°	120.0°
N2	C12	C18	90.0°	120.0°
N2	C12	O7	90.0°	120.1°
C12	N2	H71	90.0°	120.0°
C18	C12	O7	90.0°	120.0°
C12	C18	C21	90.0°	120.1°
C12	C18	C25	90.0°	120.1°
C18	C21	C22	90.0°	119.7°
C21	C18	C25	90.0°	119.8°
C18	C21	H72	90.0°	120.1°
C21	C22	C23	90.0°	120.0°
C21	C22	N4	90.0°	119.9°
C22	C21	H72	90.0°	120.1°
C22	C23	C24	90.0°	120.3°
C23	C22	N4	90.0°	120.0°
C22	C23	H73	90.0°	119.9°
C23	C24	C25	90.0°	120.2°
C24	C23	H73	90.0°	119.9°
C23	C24	H74	90.0°	119.9°
C24	C25	C18	90.0°	120.0°
C25	C24	H74	90.0°	119.9°
C24	C25	H75	90.0°	120.0°
C18	C25	H75	90.0°	120.0°
C22	N4	C27	90.0°	120.0°
C22	N4	H76	90.0°	119.9°
N4	C27	C28	90.0°	120.0°
N4	C27	O8	90.0°	120.0°
C27	N4	H76	90.0°	120.0°
C28	C27	O8	90.0°	120.0°
C27	C28	O9	90.0°	109.5°
C27	C28	H77	90.0°	109.5°
C27	C28	H78	90.0°	109.4°
C28	O9	C26	90.0°	117.0°
O9	C28	H77	90.0°	109.5°
O9	C28	H78	90.0°	109.4°
O9	C26	C29	90.0°	120.1°
O9	C26	C33	90.0°	120.1°
C26	C29	C30	90.0°	120.0°
C29	C26	C33	90.0°	119.9°
C26	C29	H79	90.0°	120.0°
C29	C30	C31	90.0°	120.0°
C30	C29	H79	90.0°	120.0°
C29	C30	H80	90.0°	120.0°
C30	C31	C32	90.0°	120.1°
C31	C30	H80	90.0°	120.0°
C30	C31	H81	90.0°	119.9°
C31	C32	C33	90.0°	120.1°
C32	C31	H81	90.0°	120.0°
C31	C32	H82	90.0°	120.0°
C32	C33	C26	90.0°	119.9°
C32	C33	P1	90.0°	120.0°
C33	C32	H82	90.0°	120.0°
C26	C33	P1	90.0°	120.0°
C33	P1	O10	90.0°	109.5°
C33	P1	O11	90.0°	109.5°
C33	P1	O12	90.0°	109.5°
O10	P1	O11	90.0°	109.5°
O10	P1	O12	90.0°	109.4°
O11	P1	O12	90.0°	109.5°
P1	O11	H83	90.0°	114.0°
P1	O12	H84	90.0°	114.0°
H36	C1	H37	90.0°	109.4°
H38	C2	H39	90.0°	109.5°
H40	C3	H41	90.0°	109.5°
H42	C5	H43	90.0°	109.5°
H44	C6	H45	90.0°	109.4°
H46	C8	H47	90.0°	109.4°
H48	C9	H49	90.0°	109.4°
H50	C10	H51	90.0°	109.4°
H53	C11	H54	90.0°	109.5°
H55	C7	H56	90.0°	109.5°
H57	C13	H58	90.0°	109.5°
H59	C14	H60	90.0°	109.5°
H61	C15	H62	90.0°	109.5°
H63	C16	H64	90.0°	109.5°
H65	C17	H66	90.0°	109.4°
H67	C19	H68	90.0°	109.5°
H69	C20	H70	90.0°	109.4°
H77	C28	H78	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
CAL	CAK	CAM	H12	180.0°	180.0°
CAK	CAL	CBP	H11	180.0°	179.9°
CAL	CAK	CAM	CBQ	0.2°	0.2°
CAK	CAL	CBP	NBG	179.9°	180.0°
CAK	CAL	CBP	CAP	0.0°	0.2°
CAL	CAK	CAM	H13	179.8°	180.0°
CAM	CAK	CAL	CBP	0.1°	0.0°
CAK	CAM	CBQ	H13	180.0°	179.7°
CAK	CAM	CBQ	CAP	0.1°	0.2°
CAK	CAM	CBQ	CBO	180.0°	180.0°
CAM	CAK	CAL	H11	179.9°	179.9°
CAL	CBP	NBG	CBN	58.3°	145.1°
CAL	CBP	NBG	CAP	179.9°	179.7°
CAL	CBP	CAP	CBQ	0.1°	0.3°
CAL	CBP	NBG	H9	121.8°	34.7°
CAL	CBP	CAP	H10	179.9°	179.8°
CBP	CAL	CAK	H12	179.9°	180.0°
OAC	CBN	NBG	CBC	179.9°	180.0°
OAC	CBN	NBG	CBP	3.2°	4.7°
OAC	CBN	CBC	OBK	154.3°	0.0°
OAC	CBN	CBC	H7	85.9°	120.0°
OAC	CBN	CBC	H8	34.4°	120.0°
OAC	CBN	NBG	H9	176.8°	175.5°
CAM	CBQ	CAP	CBP	0.0°	0.0°
CAM	CBQ	CAP	CBO	179.9°	179.8°
CAM	CBQ	CBO	NBF	33.9°	0.0°
CAM	CBQ	CBO	OAD	147.5°	180.0°
CAM	CBQ	CAP	H10	180.0°	180.0°
CBQ	CAM	CAK	H12	179.8°	179.8°
CBN	NBG	CBP	H9	180.0°	179.9°
CBN	NBG	CBP	CAP	121.7°	35.2°
NBG	CBN	CBC	OBK	25.6°	180.0°
NBG	CBN	CBC	H7	94.2°	59.9°
NBG	CBN	CBC	H8	145.5°	60.1°
CBC	CBN	NBG	CBP	176.9°	175.4°
CBN	CBC	OBK	H7	119.9°	120.0°
CBN	CBC	OBK	H8	119.9°	120.0°
CBN	CBC	OBK	CBR	145.6°	180.0°
CBN	CBC	H7	H8	120.3°	120.0°
CBC	CBN	NBG	H9	3.0°	4.5°
NBG	CBP	CAP	CBQ	180.0°	180.0°
NBG	CBP	CAP	H10	0.0°	0.1°
NBG	CBP	CAL	H11	0.1°	0.0°
CBP	CAP	CBQ	H10	180.0°	180.0°
CBP	CAP	CBQ	CBO	179.9°	179.7°
CAP	CBP	NBG	H9	58.3°	145.0°
CAP	CBP	CAL	H11	180.0°	179.7°
CBC	OBK	CBR	CAN	35.3°	0.1°
CBC	OBK	CBR	CBS	146.3°	179.4°
OBK	CBC	H7	H8	120.3°	120.0°
CAP	CBQ	CBO	NBF	146.3°	179.7°
CAP	CBQ	CBO	OAD	32.3°	0.3°
CAP	CBQ	CAM	H13	179.9°	179.9°
CBQ	CBO	NBF	OAD	178.6°	180.0°
CBQ	CBO	NBF	CAT	179.9°	180.0°
CBO	CBQ	CAP	H10	0.1°	0.2°
CBO	CBQ	CAM	H13	0.0°	0.3°
CBQ	CBO	NBF	H14	0.1°	0.0°
CBO	NBF	CAT	H14	180.0°	180.0°
CBO	NBF	CAT	CAU	97.6°	180.0°
CBO	NBF	CAT	H15	22.5°	60.0°
CBO	NBF	CAT	H16	142.2°	60.1°
CAT	NBF	CBO	OAD	1.3°	0.0°
NBF	CAT	CAU	H15	120.2°	120.1°
NBF	CAT	CAU	H16	120.1°	119.9°
NBF	CAT	CAU	OBH	83.0°	65.1°
NBF	CAT	H15	H16	119.6°	120.0°
NBF	CAT	CAU	H17	157.4°	175.0°
NBF	CAT	CAU	H18	36.6°	54.9°
OBK	CBR	CAN	CBS	178.3°	179.5°
OBK	CBR	CAN	CAI	179.5°	180.0°
OBK	CBR	CBS	PBT	1.9°	0.2°
OBK	CBR	CBS	CAO	179.8°	180.0°
OBK	CBR	CAN	H6	0.6°	0.2°
CBR	OBK	CBC	H7	25.7°	60.0°
CBR	OBK	CBC	H8	94.5°	60.0°
OAD	CBO	NBF	H14	178.7°	180.0°
CAT	CAU	OBH	H17	119.6°	120.0°
CAT	CAU	OBH	H18	119.6°	120.0°
CAT	CAU	OBH	CAV	169.4°	180.0°
CAU	CAT	NBF	H14	82.4°	0.1°
CAU	CAT	H15	H16	119.6°	120.0°
CAT	CAU	H17	H18	121.2°	120.1°
OAH	PBT	CBS	CBR	69.9°	149.8°
OAH	PBT	OAE	CBS	130.5°	120.0°
OAH	PBT	OAE	OAG	104.8°	120.0°
OAH	PBT	CBS	OAG	110.1°	120.0°
OAH	PBT	CBS	CAO	111.8°	30.0°
OAH	PBT	OAG	H1	0.0°	60.0°
OAH	PBT	OAE	H2	0.0°	60.0°
CBR	CAN	CAI	H6	180.0°	179.8°
CAN	CBR	CBS	PBT	179.6°	179.7°
CAN	CBR	CBS	CAO	1.3°	0.5°
CBR	CAN	CAI	CAJ	0.7°	0.3°
CBR	CAN	CAI	H5	179.3°	179.7°
CBS	CBR	CAN	CAI	1.2°	0.5°
CBR	CBS	PBT	OAE	57.4°	29.8°
CBR	CBS	PBT	CAO	178.3°	179.8°
CBR	CBS	PBT	OAG	179.9°	90.3°
CBR	CBS	CAO	CAJ	1.0°	0.3°
CBR	CBS	CAO	H3	178.9°	179.7°
CBS	CBR	CAN	H6	178.9°	179.7°
CAU	OBH	CAV	CAW	92.0°	180.0°
OBH	CAU	CAT	H15	37.2°	55.0°
OBH	CAU	CAT	H16	156.9°	175.0°
OBH	CAU	H17	H18	121.1°	120.0°
CAU	OBH	CAV	H19	27.9°	60.0°
CAU	OBH	CAV	H20	148.2°	60.0°
CAN	CAI	CAJ	H5	180.0°	180.0°
CAN	CAI	CAJ	CAO	0.4°	0.0°
CAN	CAI	CAJ	H4	179.6°	180.0°
CAY	CAX	OBI	H23	120.0°	120.0°
CAY	CAX	OBI	H24	120.0°	120.0°
CAY	CAX	OBI	CAW	159.2°	180.0°
CAX	CAY	OBJ	H25	120.2°	120.0°
CAX	CAY	OBJ	H26	120.1°	120.0°
CAX	CAY	OBJ	CAZ	148.5°	180.0°
CAY	CAX	H23	H24	120.0°	120.0°
CAX	CAY	H25	H26	119.5°	119.9°
CAX	OBI	CAW	CAV	142.5°	180.0°
OBI	CAX	CAY	OBJ	94.3°	65.0°
CAX	OBI	CAW	H21	22.4°	60.0°
CAX	OBI	CAW	H22	97.4°	60.0°
OBI	CAX	H23	H24	120.0°	120.0°
OBI	CAX	CAY	H25	25.9°	175.0°
OBI	CAX	CAY	H26	145.6°	55.0°
OAE	PBT	CBS	OAG	122.5°	120.0°
OAE	PBT	CBS	CAO	120.9°	150.0°
OAE	PBT	OAG	H1	110.5°	180.0°
OBI	CAW	CAV	H21	120.1°	120.0°
OBI	CAW	CAV	H22	120.1°	120.0°
OBI	CAW	CAV	OBH	82.0°	65.0°
OBI	CAW	CAV	H19	158.2°	55.0°
OBI	CAW	CAV	H20	37.8°	175.0°
OBI	CAW	H21	H22	119.7°	120.0°
CAW	OBI	CAX	H23	80.8°	60.0°
CAW	OBI	CAX	H24	39.2°	60.0°
CAW	CAV	OBH	H19	119.9°	120.0°
CAW	CAV	OBH	H20	119.8°	120.0°
CAW	CAV	H19	H20	120.5°	120.0°
CAV	CAW	H21	H22	119.6°	120.0°
PBT	CBS	CAO	CAJ	179.4°	180.0°
CBS	PBT	OAG	H1	119.5°	60.0°
CBS	PBT	OAE	H2	130.5°	60.0°
PBT	CBS	CAO	H3	0.6°	0.1°
OAG	PBT	CBS	CAO	1.6°	90.0°
OAG	PBT	OAE	H2	104.8°	180.0°
CAY	OBJ	CAZ	CBB	62.3°	180.0°
OBJ	CAY	CAX	H23	25.8°	55.0°
OBJ	CAY	CAX	H24	145.7°	175.0°
OBJ	CAY	H25	H26	119.5°	120.0°
CAY	OBJ	CAZ	H27	58.0°	60.0°
CAY	OBJ	CAZ	H28	177.4°	60.0°
CBS	CAO	CAJ	CAI	0.6°	0.0°
CBS	CAO	CAJ	H3	180.0°	180.0°
CBS	CAO	CAJ	H4	179.4°	180.0°
CAV	OBH	CAU	H17	71.0°	60.0°
CAV	OBH	CAU	H18	49.7°	60.0°
OBH	CAV	H19	H20	120.4°	120.0°
OBH	CAV	CAW	H21	38.1°	175.0°
OBH	CAV	CAW	H22	157.9°	55.0°
OBJ	CAZ	CBB	H27	120.3°	120.0°
OBJ	CAZ	CBB	H28	120.3°	120.0°
OBJ	CAZ	CBB	CBM	87.9°	180.0°
CAZ	OBJ	CAY	H25	91.3°	60.0°
CAZ	OBJ	CAY	H26	28.4°	60.0°
OBJ	CAZ	H27	H28	119.1°	120.0°
OBJ	CAZ	CBB	H29	32.3°	60.0°
OBJ	CAZ	CBB	H30	152.0°	60.1°
CAZ	CBB	CBM	H29	120.2°	120.0°
CAZ	CBB	CBM	H30	120.1°	119.9°
CAZ	CBB	CBM	OAB	1.8°	0.0°
CAZ	CBB	CBM	NBE	180.0°	180.0°
CBB	CAZ	H27	H28	119.2°	120.0°
CAZ	CBB	H29	H30	119.5°	120.0°
CAI	CAJ	CAO	H4	180.0°	180.0°
CAI	CAJ	CAO	H3	179.4°	180.0°
CAJ	CAI	CAN	H6	179.4°	179.9°
CAO	CAJ	CAI	H5	179.6°	180.0°
CBB	CBM	OAB	NBE	178.0°	180.0°
CBB	CBM	NBE	CAS	178.9°	180.0°
CBM	CBB	CAZ	H27	151.9°	60.0°
CBM	CBB	CAZ	H28	32.4°	60.0°
CBM	CBB	H29	H30	119.5°	120.0°
CBB	CBM	NBE	H31	1.1°	0.1°
OAB	CBM	NBE	CAS	0.8°	0.0°
OAB	CBM	CBB	H29	118.4°	120.0°
OAB	CBM	CBB	H30	122.0°	120.0°
OAB	CBM	NBE	H31	179.2°	180.0°
CBM	NBE	CAS	H31	180.0°	180.0°
CBM	NBE	CAS	CAR	142.0°	180.0°
NBE	CBM	CBB	H29	59.8°	60.0°
NBE	CBM	CBB	H30	59.8°	60.1°
CBM	NBE	CAS	H32	97.8°	60.0°
CBM	NBE	CAS	H33	21.8°	60.0°
NBE	CAS	CAR	H32	120.1°	120.0°
NBE	CAS	CAR	H33	120.2°	120.0°
NBE	CAS	H32	H33	119.5°	120.0°
NBE	CAS	CAR	H34	27.2°	60.0°
NBE	CAS	CAR	H35	159.8°	60.0°
NBE	CAS	CAR	C1	66.3°	180.0°
CAR	CAS	NBE	H31	38.0°	0.0°
CAR	CAS	H32	H33	119.5°	120.0°
CAS	CAR	H34	H35	173.9°	120.0°
CAS	CAR	H34	C1	12.3°	120.0°
CAS	CAR	H35	C1	12.3°	120.0°
CAS	CAR	C1	O1	90.0°	180.0°
CAS	CAR	C1	H36	90.0°	60.0°
CAS	CAR	C1	H37	90.0°	60.0°
H3	CAO	CAJ	H4	0.6°	0.0°
H4	CAJ	CAI	H5	0.4°	0.0°
H5	CAI	CAN	H6	0.6°	0.0°
H11	CAL	CAK	H12	0.1°	0.1°
H12	CAK	CAM	H13	0.2°	0.1°
H14	NBF	CAT	H15	157.5°	120.0°
H14	NBF	CAT	H16	37.8°	120.0°
H15	CAT	CAU	H17	82.4°	64.9°
H15	CAT	CAU	H18	156.8°	175.0°
H16	CAT	CAU	H17	37.3°	55.1°
H16	CAT	CAU	H18	83.5°	65.0°
H19	CAV	CAW	H21	81.7°	65.0°
H19	CAV	CAW	H22	38.0°	175.0°
H20	CAV	CAW	H21	157.9°	55.0°
H20	CAV	CAW	H22	82.3°	65.0°
H23	CAX	CAY	H25	145.9°	65.0°
H23	CAX	CAY	H26	94.4°	175.0°
H24	CAX	CAY	H25	94.1°	55.0°
H24	CAX	CAY	H26	25.6°	65.0°
H27	CAZ	CBB	H29	88.0°	180.0°
H27	CAZ	CBB	H30	31.7°	59.9°
H28	CAZ	CBB	H29	152.6°	60.0°
H28	CAZ	CBB	H30	87.7°	179.9°
H31	NBE	CAS	H32	82.2°	120.0°
H31	NBE	CAS	H33	158.1°	120.0°
H32	CAS	CAR	H34	92.9°	179.9°
H32	CAS	CAR	H35	80.0°	60.0°
H32	CAS	CAR	C1	173.6°	60.0°
H33	CAS	CAR	H34	147.4°	60.0°
H33	CAS	CAR	H35	39.7°	180.0°
H33	CAS	CAR	C1	53.9°	60.0°
H34	CAR	H35	C1	173.8°	120.0°
H34	CAR	C1	O1	90.0°	60.0°
H34	CAR	C1	H36	90.0°	180.0°
H34	CAR	C1	H37	90.0°	60.0°
H35	CAR	C1	O1	90.0°	60.0°
H35	CAR	C1	H36	90.0°	60.0°
H35	CAR	C1	H37	90.0°	180.0°
CAR	C1	O1	H36	90.0°	120.0°
CAR	C1	O1	H37	90.0°	120.1°
CAR	C1	O1	C2	90.0°	180.0°
CAR	C1	H36	H37	90.0°	120.0°
C1	O1	C2	C3	90.0°	180.0°
O1	C1	H36	H37	90.0°	120.0°
C1	O1	C2	H38	90.0°	60.0°
C1	O1	C2	H39	90.0°	60.1°
O1	C2	C3	H38	90.0°	120.1°
O1	C2	C3	H39	90.0°	120.0°
O1	C2	C3	O2	90.0°	65.0°
C2	O1	C1	H36	90.0°	60.0°
C2	O1	C1	H37	90.0°	60.0°
O1	C2	H38	H39	90.0°	120.0°
O1	C2	C3	H40	90.0°	175.0°
O1	C2	C3	H41	90.0°	55.0°
C2	C3	O2	H40	90.0°	120.0°
C2	C3	O2	H41	90.0°	120.0°
C2	C3	O2	C5	90.0°	180.0°
C3	C2	H38	H39	90.0°	119.9°
C2	C3	H40	H41	90.0°	120.0°
C3	O2	C5	C6	90.0°	180.0°
O2	C3	C2	H38	90.0°	55.0°
O2	C3	C2	H39	90.0°	175.0°
O2	C3	H40	H41	90.0°	120.0°
C3	O2	C5	H42	90.0°	60.0°
C3	O2	C5	H43	90.0°	60.0°
O2	C5	C6	H42	90.0°	119.9°
O2	C5	C6	H43	90.0°	120.0°
O2	C5	C6	O3	90.0°	65.0°
C5	O2	C3	H40	90.0°	60.0°
C5	O2	C3	H41	90.0°	60.0°
O2	C5	H42	H43	90.0°	120.0°
O2	C5	C6	H44	90.0°	175.0°
O2	C5	C6	H45	90.0°	55.1°
C5	C6	O3	H44	90.0°	120.0°
C5	C6	O3	H45	90.0°	120.0°
C5	C6	O3	C8	90.0°	179.9°
C6	C5	H42	H43	90.0°	120.0°
C5	C6	H44	H45	90.0°	120.0°
C6	O3	C8	C9	90.0°	180.0°
O3	C6	C5	H42	90.0°	55.0°
O3	C6	C5	H43	90.0°	175.0°
O3	C6	H44	H45	90.0°	120.0°
C6	O3	C8	H46	90.0°	60.0°
C6	O3	C8	H47	90.0°	59.9°
O3	C8	C9	H46	90.0°	120.0°
O3	C8	C9	H47	90.0°	120.1°
O3	C8	C9	C10	90.0°	180.0°
C8	O3	C6	H44	90.0°	60.0°
C8	O3	C6	H45	90.0°	59.9°
O3	C8	H46	H47	90.0°	120.0°
O3	C8	C9	H48	90.0°	60.0°
O3	C8	C9	H49	90.0°	60.0°
C8	C9	C10	H48	90.0°	120.1°
C8	C9	C10	H49	90.0°	120.0°
C8	C9	C10	N1	90.0°	180.0°
C9	C8	H46	H47	90.0°	120.0°
C8	C9	H48	H49	90.0°	120.0°
C8	C9	C10	H50	90.0°	60.0°
C8	C9	C10	H51	90.0°	59.9°
C9	C10	N1	H50	90.0°	120.0°
C9	C10	N1	H51	90.0°	120.1°
C9	C10	N1	C4	90.0°	180.0°
C10	C9	C8	H46	90.0°	60.0°
C10	C9	C8	H47	90.0°	59.9°
C10	C9	H48	H49	90.0°	119.9°
C9	C10	H50	H51	90.0°	120.0°
C9	C10	N1	H52	90.0°	0.1°
C10	N1	C4	H52	90.0°	179.9°
C10	N1	C4	O4	90.0°	0.0°
C10	N1	C4	C11	90.0°	180.0°
N1	C10	C9	H48	90.0°	60.0°
N1	C10	C9	H49	90.0°	60.0°
N1	C10	H50	H51	90.0°	120.0°
N1	C4	O4	C11	90.0°	180.0°
N1	C4	C11	C7	90.0°	180.0°
C4	N1	C10	H50	90.0°	60.0°
C4	N1	C10	H51	90.0°	59.9°
N1	C4	C11	H53	90.0°	60.0°
N1	C4	C11	H54	90.0°	60.0°
O4	C4	C11	C7	90.0°	0.0°
O4	C4	N1	H52	90.0°	179.9°
O4	C4	C11	H53	90.0°	120.0°
O4	C4	C11	H54	90.0°	120.0°
C4	C11	C7	H53	90.0°	120.0°
C4	C11	C7	H54	90.0°	120.0°
C4	C11	C7	O5	90.0°	180.0°
C11	C4	N1	H52	90.0°	0.0°
C4	C11	H53	H54	90.0°	120.1°
C4	C11	C7	H55	90.0°	60.0°
C4	C11	C7	H56	90.0°	60.0°
C11	C7	O5	H55	90.0°	120.0°
C11	C7	O5	H56	90.0°	120.0°
C11	C7	O5	C13	90.0°	180.0°
C7	C11	H53	H54	90.0°	119.9°
C11	C7	H55	H56	90.0°	120.0°
C7	O5	C13	C14	90.0°	180.0°
O5	C7	C11	H53	90.0°	60.0°
O5	C7	C11	H54	90.0°	60.0°
O5	C7	H55	H56	90.0°	120.0°
C7	O5	C13	H57	90.0°	60.0°
C7	O5	C13	H58	90.0°	60.0°
O5	C13	C14	H57	90.0°	120.0°
O5	C13	C14	H58	90.0°	120.0°
O5	C13	C14	C15	90.0°	180.0°
C13	O5	C7	H55	90.0°	60.0°
C13	O5	C7	H56	90.0°	60.0°
O5	C13	H57	H58	90.0°	120.0°
O5	C13	C14	H59	90.0°	60.0°
O5	C13	C14	H60	90.0°	60.0°
C13	C14	C15	H59	90.0°	120.0°
C13	C14	C15	H60	90.0°	120.0°
C13	C14	C15	C16	90.0°	180.0°
C14	C13	H57	H58	90.0°	120.0°
C13	C14	H59	H60	90.0°	120.0°
C13	C14	C15	H61	90.0°	60.0°
C13	C14	C15	H62	90.0°	60.0°
C14	C15	C16	H61	90.0°	120.0°
C14	C15	C16	H62	90.0°	120.1°
C14	C15	C16	C17	90.0°	180.0°
C15	C14	C13	H57	90.0°	60.0°
C15	C14	C13	H58	90.0°	60.0°
C15	C14	H59	H60	90.0°	120.0°
C14	C15	H61	H62	90.0°	120.0°
C14	C15	C16	H63	90.0°	60.0°
C14	C15	C16	H64	90.0°	59.9°
C15	C16	C17	H63	90.0°	119.9°
C15	C16	C17	H64	90.0°	120.0°
C15	C16	C17	O6	90.0°	180.0°
C16	C15	C14	H59	90.0°	60.0°
C16	C15	C14	H60	90.0°	60.0°
C16	C15	H61	H62	90.0°	120.0°
C15	C16	H63	H64	90.0°	120.0°
C15	C16	C17	H65	90.0°	60.0°
C15	C16	C17	H66	90.0°	60.0°
C16	C17	O6	H65	90.0°	120.0°
C16	C17	O6	H66	90.0°	120.0°
C16	C17	O6	C19	90.0°	180.0°
C17	C16	C15	H61	90.0°	60.0°
C17	C16	C15	H62	90.0°	59.9°
C17	C16	H63	H64	90.0°	120.0°
C16	C17	H65	H66	90.0°	120.0°
C17	O6	C19	C20	90.0°	180.0°
O6	C17	C16	H63	90.0°	60.1°
O6	C17	C16	H64	90.0°	60.0°
O6	C17	H65	H66	90.0°	120.1°
C17	O6	C19	H67	90.0°	60.0°
C17	O6	C19	H68	90.0°	59.9°
O6	C19	C20	H67	90.0°	120.0°
O6	C19	C20	H68	90.0°	120.1°
O6	C19	C20	N2	90.0°	65.0°
C19	O6	C17	H65	90.0°	60.1°
C19	O6	C17	H66	90.0°	60.0°
O6	C19	H67	H68	90.0°	120.0°
O6	C19	C20	H69	90.0°	175.0°
O6	C19	C20	H70	90.0°	55.1°
C19	C20	N2	H69	90.0°	120.1°
C19	C20	N2	H70	90.0°	120.0°
C19	C20	N2	C12	90.0°	180.0°
C20	C19	H67	H68	90.0°	120.0°
C19	C20	H69	H70	90.0°	120.0°
C19	C20	N2	H71	90.0°	0.0°
C20	N2	C12	H71	90.0°	180.0°
C20	N2	C12	C18	90.0°	180.0°
C20	N2	C12	O7	90.0°	0.0°
N2	C20	C19	H67	90.0°	55.0°
N2	C20	C19	H68	90.0°	175.0°
N2	C20	H69	H70	90.0°	120.0°
N2	C12	C18	O7	90.0°	179.9°
N2	C12	C18	C21	90.0°	180.0°
N2	C12	C18	C25	90.0°	0.3°
C12	N2	C20	H69	90.0°	59.9°
C12	N2	C20	H70	90.0°	60.0°
C12	C18	C21	C25	90.0°	179.7°
C12	C18	C21	C22	90.0°	180.0°
C12	C18	C25	C24	90.0°	179.7°
C18	C12	N2	H71	90.0°	0.0°
C12	C18	C21	H72	90.0°	0.0°
C12	C18	C25	H75	90.0°	0.4°
O7	C12	C18	C21	90.0°	0.0°
O7	C12	C18	C25	90.0°	179.7°
O7	C12	N2	H71	90.0°	180.0°
C18	C21	C22	H72	90.0°	180.0°
C18	C21	C22	C23	90.0°	0.0°
C21	C18	C25	C24	90.0°	0.6°
C18	C21	C22	N4	90.0°	180.0°
C21	C18	C25	H75	90.0°	179.9°
C21	C22	C23	N4	90.0°	180.0°
C21	C22	C23	C24	90.0°	0.0°
C22	C21	C18	C25	90.0°	0.3°
C21	C22	N4	C27	90.0°	35.1°
C21	C22	C23	H73	90.0°	180.0°
C21	C22	N4	H76	90.0°	144.9°
C22	C23	C24	H73	90.0°	180.0°
C22	C23	C24	C25	90.0°	0.3°
C23	C22	N4	C27	90.0°	144.9°
C23	C22	C21	H72	90.0°	180.0°
C22	C23	C24	H74	90.0°	179.9°
C23	C22	N4	H76	90.0°	35.0°
C23	C24	C25	H74	90.0°	179.8°
C23	C24	C25	C18	90.0°	0.6°
C24	C23	C22	N4	90.0°	180.0°
C23	C24	C25	H75	90.0°	179.9°
C24	C25	C18	H75	90.0°	179.3°
C25	C24	C23	H73	90.0°	179.7°
C25	C18	C21	H72	90.0°	179.7°
C18	C25	C24	H74	90.0°	179.6°
C22	N4	C27	H76	90.0°	180.0°
C22	N4	C27	C28	90.0°	175.3°
C22	N4	C27	O8	90.0°	4.6°
N4	C22	C21	H72	90.0°	0.0°
N4	C22	C23	H73	90.0°	0.0°
N4	C27	C28	O8	90.0°	180.0°
N4	C27	C28	O9	90.0°	180.0°
N4	C27	C28	H77	90.0°	59.9°
N4	C27	C28	H78	90.0°	60.1°
C27	C28	O9	H77	90.0°	120.0°
C27	C28	O9	H78	90.0°	119.9°
C27	C28	O9	C26	90.0°	180.0°
C28	C27	N4	H76	90.0°	4.6°
C27	C28	H77	H78	90.0°	120.0°
O8	C27	C28	O9	90.0°	0.1°
O8	C27	N4	H76	90.0°	175.4°
O8	C27	C28	H77	90.0°	120.0°
O8	C27	C28	H78	90.0°	120.0°
C28	O9	C26	C29	90.0°	0.1°
C28	O9	C26	C33	90.0°	179.8°
O9	C28	H77	H78	90.0°	120.0°
O9	C26	C29	C33	90.0°	179.7°
O9	C26	C29	C30	90.0°	180.0°
O9	C26	C33	C32	90.0°	179.7°
O9	C26	C33	P1	90.0°	0.3°
C26	O9	C28	H77	90.0°	60.0°
C26	O9	C28	H78	90.0°	60.0°
O9	C26	C29	H79	90.0°	0.1°
C26	C29	C30	H79	90.0°	179.9°
C26	C29	C30	C31	90.0°	0.0°
C29	C26	C33	C32	90.0°	0.6°
C29	C26	C33	P1	90.0°	180.0°
C26	C29	C30	H80	90.0°	180.0°
C29	C30	C31	H80	90.0°	180.0°
C29	C30	C31	C32	90.0°	0.0°
C30	C29	C26	C33	90.0°	0.3°
C29	C30	C31	H81	90.0°	180.0°
C30	C31	C32	H81	90.0°	180.0°
C30	C31	C32	C33	90.0°	0.3°
C31	C30	C29	H79	90.0°	179.9°
C30	C31	C32	H82	90.0°	180.0°
C31	C32	C33	H82	90.0°	179.7°
C31	C32	C33	C26	90.0°	0.5°
C31	C32	C33	P1	90.0°	180.0°
C32	C31	C30	H80	90.0°	180.0°
C32	C33	C26	P1	90.0°	179.5°
C32	C33	P1	O10	90.0°	90.0°
C32	C33	P1	O11	90.0°	30.0°
C32	C33	P1	O12	90.0°	150.0°
C33	C32	C31	H81	90.0°	179.7°
C26	C33	P1	O10	90.0°	89.5°
C26	C33	P1	O11	90.0°	150.5°
C26	C33	P1	O12	90.0°	30.5°
C33	C26	C29	H79	90.0°	179.8°
C26	C33	C32	H82	90.0°	179.8°
C33	P1	O10	O11	90.0°	120.0°
C33	P1	O10	O12	90.0°	120.0°
C33	P1	O11	O12	90.0°	120.0°
P1	C33	C32	H82	90.0°	0.3°
C33	P1	O11	H83	90.0°	180.0°
C33	P1	O12	H84	90.0°	60.0°
O10	P1	O11	O12	90.0°	120.0°
O10	P1	O11	H83	90.0°	60.0°
O10	P1	O12	H84	90.0°	180.0°
O11	P1	O12	H84	90.0°	60.0°
O12	P1	O11	H83	90.0°	60.0°
H38	C2	C3	H40	90.0°	65.0°
H38	C2	C3	H41	90.0°	175.1°
H39	C2	C3	H40	90.0°	55.0°
H39	C2	C3	H41	90.0°	65.0°
H42	C5	C6	H44	90.0°	65.1°
H42	C5	C6	H45	90.0°	175.0°
H43	C5	C6	H44	90.0°	55.0°
H43	C5	C6	H45	90.0°	65.0°
H46	C8	C9	H48	90.0°	179.9°
H46	C8	C9	H49	90.0°	60.0°
H47	C8	C9	H48	90.0°	60.1°
H47	C8	C9	H49	90.0°	179.9°
H48	C9	C10	H50	90.0°	179.9°
H48	C9	C10	H51	90.0°	60.1°
H49	C9	C10	H50	90.0°	60.0°
H49	C9	C10	H51	90.0°	180.0°
H50	C10	N1	H52	90.0°	120.1°
H51	C10	N1	H52	90.0°	120.0°
H53	C11	C7	H55	90.0°	179.9°
H53	C11	C7	H56	90.0°	60.0°
H54	C11	C7	H55	90.0°	60.0°
H54	C11	C7	H56	90.0°	180.0°
H57	C13	C14	H59	90.0°	180.0°
H57	C13	C14	H60	90.0°	60.0°
H58	C13	C14	H59	90.0°	60.0°
H58	C13	C14	H60	90.0°	180.0°
H59	C14	C15	H61	90.0°	180.0°
H59	C14	C15	H62	90.0°	60.0°
H60	C14	C15	H61	90.0°	60.0°
H60	C14	C15	H62	90.0°	180.0°
H61	C15	C16	H63	90.0°	180.0°
H61	C15	C16	H64	90.0°	60.0°
H62	C15	C16	H63	90.0°	60.0°
H62	C15	C16	H64	90.0°	NaN°
H63	C16	C17	H65	90.0°	179.9°
H63	C16	C17	H66	90.0°	60.0°
H64	C16	C17	H65	90.0°	60.0°
H64	C16	C17	H66	90.0°	180.0°
H67	C19	C20	H69	90.0°	65.0°
H67	C19	C20	H70	90.0°	175.0°
H68	C19	C20	H69	90.0°	55.0°
H68	C19	C20	H70	90.0°	65.0°
H69	C20	N2	H71	90.0°	120.0°
H70	C20	N2	H71	90.0°	120.0°
H73	C23	C24	H74	90.0°	0.1°
H74	C24	C25	H75	90.0°	0.3°
H79	C29	C30	H80	90.0°	0.1°
H80	C30	C31	H81	90.0°	0.0°
H81	C31	C32	H82	90.0°	0.1°

Release date:	2018-07-04
Definition date:	2018-02-03
Last modified:	2018-06-29
Release status:	REL
Processing site:	RCSB
Derived from:	6FNB