GBW

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N05	C06	doub	1.32Å	1.37Å	Aromatic
N05	C04	sing	1.32Å	1.34Å	Aromatic
C06	C07	sing	1.37Å	1.38Å	Aromatic
C04	C03	doub	1.39Å	1.41Å	Aromatic
C07	C08	doub	1.40Å	1.45Å	Aromatic
C03	C08	sing	1.42Å	1.40Å	Aromatic
C03	C02	sing	1.47Å	1.56Å
O01	C02	doub	1.22Å	1.18Å
C08	C09	sing	1.47Å	1.53Å
C02	N11	sing	1.35Å	1.46Å
C67	O66	sing	1.43Å	1.42Å
C09	C13	sing	1.48Å	1.53Å
C09	C10	doub	1.36Å	1.48Å
N11	C10	sing	1.36Å	1.45Å
N11	C12	sing	1.46Å	1.50Å
C68	C13	doub	1.39Å	1.41Å	Aromatic
C68	C65	sing	1.39Å	1.43Å	Aromatic
C13	C14	sing	1.39Å	1.42Å	Aromatic
O66	C65	sing	1.36Å	1.43Å
C65	C18	doub	1.39Å	1.39Å	Aromatic
C14	C15	doub	1.39Å	1.41Å	Aromatic
C18	C15	sing	1.39Å	1.44Å	Aromatic
C18	C19	sing	1.51Å	1.59Å
C15	O16	sing	1.36Å	1.43Å
C19	N20	sing	1.47Å	1.34Å
C21	N20	sing	1.47Å	1.39Å
C21	C22	sing	1.53Å	1.54Å
O16	C17	sing	1.43Å	1.41Å
N20	C25	sing	1.47Å	1.38Å
C22	N23	sing	1.47Å	1.39Å
C25	C24	sing	1.53Å	1.57Å
N23	C24	sing	1.47Å	1.37Å
N23	C26	sing	1.47Å	1.35Å
O28	C27	sing	1.43Å	1.43Å
O28	C29	sing	1.43Å	1.42Å
C27	C26	sing	1.53Å	1.56Å
C10	H1	sing	1.08Å	1.08Å
C17	H2	sing	1.09Å	1.10Å
C17	H3	sing	1.09Å	1.10Å
C17	H4	sing	1.09Å	1.10Å
C21	H5	sing	1.09Å	1.10Å
C21	H6	sing	1.09Å	1.10Å
C22	H7	sing	1.09Å	1.10Å
C22	H8	sing	1.09Å	1.10Å
C24	H9	sing	1.09Å	1.10Å
C24	H10	sing	1.09Å	1.10Å
C26	H11	sing	1.09Å	1.10Å
C26	H12	sing	1.09Å	1.10Å
C04	H13	sing	1.08Å	1.08Å
C06	H14	sing	1.08Å	1.08Å
C07	H15	sing	1.08Å	1.08Å
C12	H16	sing	1.09Å	1.10Å
C12	H17	sing	1.09Å	1.10Å
C12	H18	sing	1.09Å	1.10Å
C14	H19	sing	1.08Å	1.08Å
C19	H20	sing	1.09Å	1.10Å
C19	H21	sing	1.09Å	1.10Å
C25	H24	sing	1.09Å	1.10Å
C25	H25	sing	1.09Å	1.10Å
C27	H26	sing	1.09Å	1.10Å
C27	H27	sing	1.09Å	1.10Å
C29	H28	sing	1.09Å	1.10Å
C29	H29	sing	1.09Å	1.10Å
C67	H31	sing	1.09Å	1.10Å
C67	H32	sing	1.09Å	1.10Å
C67	H33	sing	1.09Å	1.10Å
C68	H34	sing	1.08Å	1.08Å
C29	C1	sing	1.53Å	4.95Å
C1	O1	sing	1.43Å	0.00Å
O1	C2	sing	1.43Å	0.00Å
C2	C3	sing	1.51Å	0.00Å
C3	N1	sing	1.35Å	0.00Å
C3	O2	doub	1.21Å	0.00Å
N1	C4	sing	1.47Å	0.00Å
C4	C5	sing	1.51Å	0.00Å
C4	C6	sing	1.53Å	0.00Å
C6	C7	sing	1.53Å	0.00Å
C6	C8	sing	1.53Å	0.00Å
C6	C9	sing	1.53Å	0.00Å
C5	O3	doub	1.21Å	0.00Å
C5	N2	sing	1.35Å	0.00Å
N2	C11	sing	1.47Å	0.00Å
C11	C16	sing	1.55Å	0.00Å
C16	C20	sing	1.55Å	0.00Å
C20	C23	sing	1.54Å	0.00Å
C23	N2	sing	1.47Å	0.00Å
C16	O4	sing	1.43Å	0.00Å
C23	C28	sing	1.51Å	0.00Å
C28	N3	sing	1.35Å	0.00Å
C28	O5	doub	1.21Å	0.00Å
N3	C30	sing	1.46Å	0.00Å
C30	C31	sing	1.51Å	0.00Å
C31	C32	sing	1.38Å	0.00Å	Aromatic
C32	C33	doub	1.38Å	0.00Å	Aromatic
C33	C34	sing	1.40Å	0.00Å	Aromatic
C34	C35	doub	1.40Å	0.00Å	Aromatic
C35	C36	sing	1.38Å	0.00Å	Aromatic
C36	C31	doub	1.38Å	0.00Å	Aromatic
C34	C41	sing	1.48Å	0.00Å
C41	S1	sing	1.76Å	0.00Å	Aromatic
S1	C38	sing	1.71Å	0.00Å	Aromatic
C38	N4	doub	1.29Å	0.00Å	Aromatic
N4	C40	sing	1.31Å	0.00Å	Aromatic
C40	C41	doub	1.35Å	0.00Å	Aromatic
C40	C37	sing	1.51Å	0.00Å
C1	H22	sing	1.09Å	0.00Å
C1	H23	sing	1.09Å	0.00Å
C2	H30	sing	1.09Å	0.00Å
C2	H35	sing	1.09Å	0.00Å
N1	H36	sing	0.97Å	0.00Å
C4	H37	sing	1.09Å	0.00Å
C7	H38	sing	1.09Å	0.00Å
C7	H39	sing	1.09Å	0.00Å
C7	H40	sing	1.09Å	0.00Å
C8	H41	sing	1.09Å	0.00Å
C8	H42	sing	1.09Å	0.00Å
C8	H43	sing	1.09Å	0.00Å
C9	H44	sing	1.09Å	0.00Å
C9	H45	sing	1.09Å	0.00Å
C9	H46	sing	1.09Å	0.00Å
C11	H47	sing	1.09Å	0.00Å
C11	H48	sing	1.09Å	0.00Å
C16	H49	sing	1.09Å	0.00Å
C20	H50	sing	1.09Å	0.00Å
C20	H51	sing	1.09Å	0.00Å
C23	H52	sing	1.09Å	0.00Å
O4	H53	sing	0.97Å	0.00Å
N3	H54	sing	0.97Å	0.00Å
C30	H55	sing	1.09Å	0.00Å
C30	H56	sing	1.09Å	0.00Å
C32	H57	sing	1.08Å	0.00Å
C33	H58	sing	1.08Å	0.00Å
C35	H59	sing	1.08Å	0.00Å
C36	H60	sing	1.08Å	0.00Å
C38	H61	sing	1.08Å	0.00Å
C37	H62	sing	1.09Å	0.00Å
C37	H63	sing	1.09Å	0.00Å
C37	H64	sing	1.09Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C06	N05	C04	123.1°	122.7°
N05	C06	C07	119.2°	121.7°
N05	C06	H14	120.4°	119.1°
N05	C04	C03	120.8°	119.7°
N05	C04	H13	119.6°	120.1°
C06	C07	C08	119.4°	118.5°
C07	C06	H14	120.4°	119.2°
C06	C07	H15	120.3°	120.7°
C04	C03	C08	118.6°	118.9°
C04	C03	C02	120.0°	122.8°
C03	C04	H13	119.6°	120.1°
C07	C08	C03	118.9°	118.5°
C07	C08	C09	122.8°	123.0°
C08	C07	H15	120.3°	120.8°
C08	C03	C02	121.4°	118.3°
C03	C08	C09	118.3°	118.5°
C03	C02	O01	121.4°	120.4°
C03	C02	N11	119.5°	119.4°
O01	C02	N11	119.1°	120.3°
C08	C09	C13	123.9°	120.5°
C08	C09	C10	119.9°	119.0°
C02	N11	C10	119.0°	122.5°
C02	N11	C12	122.6°	118.7°
C67	O66	C65	117.2°	117.0°
O66	C67	H31	109.5°	109.5°
O66	C67	H32	109.5°	109.5°
O66	C67	H33	109.5°	109.4°
C13	C09	C10	116.2°	120.5°
C09	C13	C68	120.5°	120.1°
C09	C13	C14	119.5°	120.0°
C09	C10	N11	121.9°	122.3°
C09	C10	H1	119.0°	118.8°
C10	N11	C12	118.4°	118.8°
N11	C10	H1	119.0°	118.9°
N11	C12	H16	109.5°	109.5°
N11	C12	H17	109.5°	109.5°
N11	C12	H18	109.5°	109.5°
C13	C68	C65	119.9°	119.9°
C68	C13	C14	120.0°	119.9°
C13	C68	H34	120.0°	120.0°
C68	C65	O66	119.3°	120.0°
C68	C65	C18	120.3°	120.1°
C65	C68	H34	120.0°	120.1°
C13	C14	C15	120.3°	119.9°
C13	C14	H19	119.9°	120.1°
O66	C65	C18	120.4°	119.9°
C65	C18	C15	120.0°	120.1°
C65	C18	C19	121.5°	120.0°
C14	C15	C18	119.6°	120.1°
C14	C15	O16	122.2°	120.0°
C15	C14	H19	119.9°	120.0°
C15	C18	C19	118.5°	119.9°
C18	C15	O16	118.2°	120.0°
C18	C19	N20	113.5°	109.5°
C18	C19	H20	108.5°	109.4°
C18	C19	H21	108.5°	109.5°
C15	O16	C17	119.8°	117.0°
C19	N20	C21	113.9°	111.0°
C19	N20	C25	113.3°	111.0°
N20	C19	H20	108.5°	109.5°
N20	C19	H21	108.4°	109.5°
N20	C21	C22	115.8°	109.4°
C21	N20	C25	116.9°	110.9°
N20	C21	H5	107.9°	109.5°
N20	C21	H6	107.9°	109.5°
C21	C22	N23	113.2°	109.4°
C22	C21	H5	107.8°	109.5°
C22	C21	H6	107.9°	109.5°
C21	C22	H7	108.5°	109.5°
C21	C22	H8	108.5°	109.5°
O16	C17	H2	109.5°	109.5°
O16	C17	H3	109.5°	109.5°
O16	C17	H4	109.5°	109.5°
N20	C25	C24	116.2°	109.3°
N20	C25	H24	107.8°	109.5°
N20	C25	H25	107.8°	109.5°
C22	N23	C24	113.8°	110.9°
C22	N23	C26	111.7°	111.0°
N23	C22	H7	108.5°	109.5°
N23	C22	H8	108.5°	109.5°
C25	C24	N23	114.9°	109.4°
C25	C24	H9	108.1°	109.5°
C25	C24	H10	108.1°	109.5°
C24	C25	H24	107.8°	109.5°
C24	C25	H25	107.8°	109.5°
C24	N23	C26	113.1°	111.0°
N23	C24	H9	108.1°	109.5°
N23	C24	H10	108.1°	109.5°
N23	C26	C27	109.6°	109.5°
N23	C26	H11	109.5°	109.5°
N23	C26	H12	109.4°	109.5°
C27	O28	C29	112.7°	114.0°
O28	C27	C26	112.1°	109.5°
O28	C27	H26	108.8°	109.5°
O28	C27	H27	108.8°	109.5°
O28	C29	H28	125.0°	109.5°
O28	C29	H29	125.0°	109.5°
O28	C29	C1	12.4°	109.4°
C27	C26	H11	109.4°	109.5°
C27	C26	H12	109.4°	109.5°
C26	C27	H26	108.8°	109.4°
C26	C27	H27	108.8°	109.4°
H2	C17	H3	109.5°	109.4°
H2	C17	H4	109.4°	109.5°
H3	C17	H4	109.5°	109.5°
H5	C21	H6	109.5°	109.5°
H7	C22	H8	109.5°	109.4°
H9	C24	H10	109.5°	109.5°
H11	C26	H12	109.4°	109.4°
H16	C12	H17	109.5°	109.5°
H16	C12	H18	109.5°	109.4°
H17	C12	H18	109.5°	109.4°
H20	C19	H21	109.5°	109.4°
H24	C25	H25	109.5°	109.5°
H26	C27	H27	109.5°	109.5°
H28	C29	H29	109.5°	109.5°
H28	C29	C1	125.0°	109.5°
H29	C29	C1	125.0°	109.4°
H31	C67	H32	109.4°	109.5°
H31	C67	H33	109.5°	109.4°
H32	C67	H33	109.5°	109.5°
C29	C1	O1	90.0°	109.5°
C29	C1	H22	90.0°	109.4°
C29	C1	H23	90.0°	109.5°
C1	O1	C2	90.0°	114.0°
O1	C1	H22	90.0°	109.5°
O1	C1	H23	90.0°	109.5°
O1	C2	C3	90.0°	109.5°
O1	C2	H30	90.0°	109.5°
O1	C2	H35	90.0°	109.5°
C2	C3	N1	90.0°	120.0°
C2	C3	O2	90.0°	120.0°
C3	C2	H30	90.0°	109.5°
C3	C2	H35	90.0°	109.4°
N1	C3	O2	90.0°	120.0°
C3	N1	C4	90.0°	120.0°
C3	N1	H36	90.0°	120.0°
N1	C4	C5	90.0°	109.4°
N1	C4	C6	90.0°	109.5°
C4	N1	H36	90.0°	120.0°
N1	C4	H37	90.0°	109.4°
C5	C4	C6	90.0°	109.5°
C4	C5	O3	90.0°	120.1°
C4	C5	N2	90.0°	119.9°
C5	C4	H37	90.0°	109.5°
C4	C6	C7	90.0°	109.5°
C4	C6	C8	90.0°	109.5°
C4	C6	C9	90.0°	109.4°
C6	C4	H37	90.0°	109.5°
C7	C6	C8	90.0°	109.5°
C7	C6	C9	90.0°	109.5°
C6	C7	H38	90.0°	109.5°
C6	C7	H39	90.0°	109.4°
C6	C7	H40	90.0°	109.5°
C8	C6	C9	90.0°	109.5°
C6	C8	H41	90.0°	109.5°
C6	C8	H42	90.0°	109.4°
C6	C8	H43	90.0°	109.4°
C6	C9	H44	90.0°	109.5°
C6	C9	H45	90.0°	109.4°
C6	C9	H46	90.0°	109.5°
O3	C5	N2	90.0°	120.0°
C5	N2	C11	90.0°	125.7°
C5	N2	C23	90.0°	125.6°
N2	C11	C16	90.0°	104.8°
C11	N2	C23	90.0°	108.7°
N2	C11	H47	90.0°	110.4°
N2	C11	H48	90.0°	110.4°
C11	C16	C20	90.0°	101.6°
C11	C16	O4	90.0°	111.0°
C16	C11	H47	90.0°	110.4°
C16	C11	H48	90.0°	110.3°
C11	C16	H49	90.0°	111.0°
C16	C20	C23	90.0°	103.0°
C20	C16	O4	90.0°	111.0°
C20	C16	H49	90.0°	111.1°
C16	C20	H50	90.0°	110.7°
C16	C20	H51	90.0°	110.7°
C20	C23	N2	90.0°	107.2°
C20	C23	C28	90.0°	109.8°
C23	C20	H50	90.0°	110.9°
C23	C20	H51	90.0°	110.6°
C20	C23	H52	90.0°	109.9°
N2	C23	C28	90.0°	110.2°
N2	C23	H52	90.0°	109.7°
O4	C16	H49	90.0°	110.9°
C16	O4	H53	90.0°	114.0°
C23	C28	N3	90.0°	120.0°
C23	C28	O5	90.0°	120.0°
C28	C23	H52	90.0°	110.0°
N3	C28	O5	90.0°	120.0°
C28	N3	C30	90.0°	120.0°
C28	N3	H54	90.0°	120.0°
N3	C30	C31	90.0°	109.5°
C30	N3	H54	90.0°	120.0°
N3	C30	H55	90.0°	109.4°
N3	C30	H56	90.0°	109.4°
C30	C31	C32	90.0°	119.8°
C30	C31	C36	90.0°	119.8°
C31	C30	H55	90.0°	109.5°
C31	C30	H56	90.0°	109.5°
C31	C32	C33	90.0°	120.1°
C32	C31	C36	90.0°	120.3°
C31	C32	H57	90.0°	120.0°
C32	C33	C34	90.0°	119.8°
C33	C32	H57	90.0°	119.9°
C32	C33	H58	90.0°	120.1°
C33	C34	C35	90.0°	119.7°
C33	C34	C41	90.0°	120.1°
C34	C33	H58	90.0°	120.0°
C34	C35	C36	90.0°	119.8°
C35	C34	C41	90.0°	120.1°
C34	C35	H59	90.0°	120.1°
C35	C36	C31	90.0°	120.1°
C36	C35	H59	90.0°	120.1°
C35	C36	H60	90.0°	119.9°
C31	C36	H60	90.0°	120.0°
C34	C41	S1	90.0°	126.1°
C34	C41	C40	90.0°	126.1°
C41	S1	C38	90.0°	90.3°
S1	C41	C40	90.0°	107.8°
S1	C38	N4	90.0°	110.4°
S1	C38	H61	90.0°	124.8°
C38	N4	C40	90.0°	117.3°
N4	C38	H61	90.0°	124.8°
N4	C40	C41	90.0°	114.3°
N4	C40	C37	90.0°	122.9°
C41	C40	C37	90.0°	122.9°
C40	C37	H62	90.0°	109.4°
C40	C37	H63	90.0°	109.5°
C40	C37	H64	90.0°	109.5°
H22	C1	H23	90.0°	109.5°
H30	C2	H35	90.0°	109.5°
H38	C7	H39	90.0°	109.5°
H38	C7	H40	90.0°	109.5°
H39	C7	H40	90.0°	109.4°
H41	C8	H42	90.0°	109.5°
H41	C8	H43	90.0°	109.5°
H42	C8	H43	90.0°	109.5°
H44	C9	H45	90.0°	109.5°
H44	C9	H46	90.0°	109.5°
H45	C9	H46	90.0°	109.4°
H47	C11	H48	90.0°	110.4°
H50	C20	H51	90.0°	110.8°
H55	C30	H56	90.0°	109.5°
H62	C37	H63	90.0°	109.5°
H62	C37	H64	90.0°	109.5°
H63	C37	H64	90.0°	109.5°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N05	C06	C07	H14	180.0°	180.0°
C06	N05	C04	C03	0.2°	0.1°
N05	C06	C07	C08	0.9°	0.0°
C06	N05	C04	H13	179.8°	180.0°
N05	C06	C07	H15	179.1°	180.0°
C04	N05	C06	C07	0.4°	0.0°
N05	C04	C03	H13	180.0°	180.0°
N05	C04	C03	C08	0.4°	0.0°
N05	C04	C03	C02	179.2°	179.8°
C04	N05	C06	H14	179.5°	180.0°
C06	C07	C08	H15	180.0°	180.0°
C06	C07	C08	C03	1.1°	0.0°
C06	C07	C08	C09	179.9°	180.0°
C04	C03	C08	C07	0.9°	0.0°
C04	C03	C08	C02	178.7°	179.8°
C04	C03	C02	O01	0.2°	0.0°
C04	C03	C08	C09	179.7°	180.0°
C04	C03	C02	N11	179.8°	180.0°
C07	C08	C03	C09	178.8°	179.9°
C07	C08	C03	C02	179.6°	179.8°
C07	C08	C09	C13	1.2°	0.1°
C07	C08	C09	C10	179.9°	180.0°
C08	C07	C06	H14	179.1°	180.0°
C08	C03	C02	O01	178.5°	179.8°
C08	C03	C02	N11	1.2°	0.2°
C03	C08	C09	C13	180.0°	180.0°
C03	C08	C09	C10	1.3°	0.0°
C08	C03	C04	H13	179.6°	180.0°
C03	C08	C07	H15	178.9°	180.0°
C03	C02	O01	N11	179.6°	180.0°
C02	C03	C08	C09	1.6°	0.2°
C03	C02	N11	C10	0.4°	0.0°
C03	C02	N11	C12	179.4°	180.0°
C02	C03	C04	H13	0.8°	0.2°
O01	C02	N11	C10	179.2°	180.0°
O01	C02	N11	C12	1.0°	0.0°
C08	C09	C13	C10	178.7°	180.0°
C08	C09	C10	N11	0.7°	0.2°
C08	C09	C13	C68	49.2°	64.7°
C08	C09	C13	C14	131.8°	115.0°
C08	C09	C10	H1	179.3°	180.0°
C09	C08	C07	H15	0.1°	0.1°
C02	N11	C10	C09	0.2°	0.3°
C02	N11	C10	C12	179.8°	180.0°
C02	N11	C10	H1	179.8°	180.0°
C02	N11	C12	H16	180.0°	0.0°
C02	N11	C12	H17	60.0°	120.1°
C02	N11	C12	H18	60.0°	120.0°
C67	O66	C65	C68	26.2°	0.8°
C67	O66	C65	C18	152.9°	180.0°
O66	C67	H31	H32	120.0°	120.1°
O66	C67	H31	H33	120.0°	119.9°
O66	C67	H32	H33	120.0°	120.0°
C13	C09	C10	N11	179.4°	179.7°
C09	C13	C68	C14	179.0°	179.7°
C09	C13	C68	C65	179.8°	179.7°
C09	C13	C14	C15	179.8°	180.0°
C13	C09	C10	H1	0.6°	0.0°
C09	C13	C14	H19	0.2°	0.1°
C09	C13	C68	H34	0.2°	0.3°
C09	C10	N11	H1	180.0°	179.7°
C09	C10	N11	C12	179.6°	179.7°
C10	C09	C13	C68	132.1°	115.3°
C10	C09	C13	C14	46.9°	65.0°
C10	N11	C12	H16	0.2°	180.0°
C10	N11	C12	H17	120.2°	59.9°
C10	N11	C12	H18	119.8°	60.0°
C12	N11	C10	H1	0.5°	0.0°
N11	C12	H16	H17	120.0°	120.1°
N11	C12	H16	H18	120.0°	120.0°
N11	C12	H17	H18	120.0°	120.0°
C13	C68	C65	H34	180.0°	179.9°
C13	C68	C65	O66	178.4°	179.7°
C13	C68	C65	C18	0.7°	0.5°
C68	C13	C14	C15	0.8°	0.3°
C68	C13	C14	H19	179.2°	179.7°
C65	C68	C13	C14	1.2°	0.1°
C68	C65	O66	C18	179.1°	179.2°
C68	C65	C18	C15	0.2°	0.8°
C68	C65	C18	C19	179.2°	179.8°
C13	C14	C15	H19	180.0°	179.9°
C13	C14	C15	C18	0.1°	0.1°
C13	C14	C15	O16	179.1°	180.0°
C14	C13	C68	H34	178.8°	180.0°
O66	C65	C18	C15	179.3°	180.0°
O66	C65	C18	C19	0.1°	0.6°
C65	O66	C67	H31	180.0°	180.0°
C65	O66	C67	H32	60.0°	60.0°
C65	O66	C67	H33	60.0°	60.0°
O66	C65	C68	H34	1.6°	0.2°
C65	C18	C15	C14	0.6°	0.5°
C65	C18	C15	C19	179.4°	179.4°
C65	C18	C15	O16	179.6°	179.4°
C65	C18	C19	N20	75.1°	89.4°
C65	C18	C19	H20	45.4°	30.6°
C65	C18	C19	H21	164.3°	150.5°
C18	C65	C68	H34	179.3°	179.4°
C14	C15	C18	O16	179.1°	179.9°
C14	C15	C18	C19	178.8°	179.9°
C14	C15	O16	C17	29.9°	0.0°
C15	C18	C19	N20	105.5°	90.0°
C18	C15	O16	C17	151.0°	180.0°
C18	C15	C14	H19	180.0°	180.0°
C15	C18	C19	H20	133.9°	150.0°
C15	C18	C19	H21	15.1°	30.1°
C19	C18	C15	O16	0.3°	0.0°
C18	C19	N20	H20	120.6°	120.0°
C18	C19	N20	H21	120.6°	120.0°
C18	C19	N20	C21	95.8°	170.0°
C18	C19	N20	C25	127.3°	66.2°
C18	C19	H20	H21	118.2°	119.9°
C15	O16	C17	H2	180.0°	180.0°
C15	O16	C17	H3	60.0°	60.0°
C15	O16	C17	H4	60.0°	60.0°
O16	C15	C14	H19	0.9°	0.1°
C19	N20	C21	C25	135.2°	123.9°
C19	N20	C21	C22	153.9°	64.6°
C19	N20	C25	C24	174.0°	64.6°
C19	N20	C21	H5	85.2°	55.4°
C19	N20	C21	H6	32.9°	175.5°
N20	C19	H20	H21	118.1°	120.0°
C19	N20	C25	H24	53.0°	175.5°
C19	N20	C25	H25	65.0°	55.4°
N20	C21	C22	H5	120.9°	120.0°
N20	C21	C22	H6	120.9°	120.0°
N20	C21	C22	N23	29.0°	58.4°
C21	N20	C25	C24	38.5°	59.3°
N20	C21	H5	H6	117.1°	120.1°
N20	C21	C22	H7	149.5°	178.4°
N20	C21	C22	H8	91.6°	61.6°
C21	N20	C19	H20	24.7°	50.0°
C21	N20	C19	H21	143.5°	70.0°
C21	N20	C25	H24	82.5°	60.6°
C21	N20	C25	H25	159.5°	179.3°
C22	C21	N20	C25	18.6°	59.3°
C21	C22	N23	H7	120.5°	120.0°
C21	C22	N23	H8	120.5°	120.0°
C21	C22	N23	C24	56.6°	59.3°
C21	C22	N23	C26	173.9°	176.8°
C22	C21	H5	H6	117.1°	120.0°
C21	C22	H7	H8	118.3°	120.1°
O16	C17	H2	H3	120.0°	120.0°
O16	C17	H2	H4	120.0°	120.0°
O16	C17	H3	H4	120.0°	120.0°
N20	C25	C24	H24	121.0°	119.9°
N20	C25	C24	H25	121.0°	120.0°
N20	C25	C24	N23	11.4°	58.4°
C25	N20	C21	H5	139.5°	179.3°
C25	N20	C21	H6	102.3°	60.6°
N20	C25	C24	H9	132.2°	178.4°
N20	C25	C24	H10	109.4°	61.6°
C25	N20	C19	H20	112.1°	173.8°
C25	N20	C19	H21	6.7°	53.8°
N20	C25	H24	H25	117.0°	120.1°
C22	N23	C24	C25	36.3°	59.3°
C22	N23	C24	C26	128.8°	123.9°
C22	N23	C26	C27	88.3°	170.0°
N23	C22	C21	H5	92.0°	178.4°
N23	C22	C21	H6	149.9°	61.6°
N23	C22	H7	H8	118.3°	120.0°
C22	N23	C24	H9	84.4°	179.3°
C22	N23	C24	H10	157.1°	60.7°
C22	N23	C26	H11	31.8°	50.0°
C22	N23	C26	H12	151.7°	69.9°
C25	C24	N23	H9	120.8°	120.0°
C25	C24	N23	H10	120.8°	120.0°
C25	C24	N23	C26	165.2°	176.8°
C25	C24	H9	H10	117.5°	120.1°
C24	C25	H24	H25	117.0°	120.0°
C24	N23	C26	C27	141.8°	66.2°
C24	N23	C22	H7	177.1°	179.3°
C24	N23	C22	H8	63.9°	60.7°
N23	C24	H9	H10	117.6°	120.0°
C24	N23	C26	H11	98.1°	173.8°
C24	N23	C26	H12	21.8°	53.8°
N23	C24	C25	H24	109.6°	61.6°
N23	C24	C25	H25	132.4°	178.4°
N23	C26	C27	O28	122.2°	65.0°
N23	C26	C27	H11	120.0°	120.0°
N23	C26	C27	H12	120.0°	120.1°
C26	N23	C22	H7	53.3°	56.8°
C26	N23	C22	H8	65.6°	63.1°
C26	N23	C24	H9	44.4°	56.8°
C26	N23	C24	H10	74.1°	63.2°
N23	C26	H11	H12	119.9°	120.0°
N23	C26	C27	H26	1.8°	175.0°
N23	C26	C27	H27	117.4°	55.0°
O28	C27	C26	H26	120.4°	120.0°
O28	C27	C26	H27	120.4°	120.0°
O28	C27	C26	H11	2.1°	55.0°
O28	C27	C26	H12	117.8°	174.9°
O28	C27	H26	H27	118.8°	120.1°
C27	O28	C29	H28	76.9°	60.0°
C27	O28	C29	H29	111.8°	60.0°
C27	O28	C29	C1	17.4°	180.0°
C29	O28	C27	C26	148.2°	180.0°
C29	O28	C27	H26	91.4°	60.0°
C29	O28	C27	H27	27.8°	60.0°
O28	C29	H28	H29	172.4°	120.0°
O28	C29	H28	C1	15.1°	120.0°
O28	C29	H29	C1	15.1°	119.9°
O28	C29	C1	O1	90.0°	65.0°
O28	C29	C1	H22	90.0°	175.0°
O28	C29	C1	H23	90.0°	55.0°
C27	C26	H11	H12	119.9°	120.0°
C26	C27	H26	H27	118.8°	119.9°
H2	C17	H3	H4	120.0°	120.0°
H5	C21	C22	H7	28.6°	61.6°
H5	C21	C22	H8	147.5°	58.4°
H6	C21	C22	H7	89.6°	58.4°
H6	C21	C22	H8	29.3°	178.4°
H9	C24	C25	H24	11.2°	58.4°
H9	C24	C25	H25	106.8°	61.6°
H10	C24	C25	H24	129.6°	178.5°
H10	C24	C25	H25	11.6°	58.4°
H11	C26	C27	H26	118.3°	65.0°
H11	C26	C27	H27	122.5°	175.0°
H12	C26	C27	H26	121.8°	54.9°
H12	C26	C27	H27	2.6°	65.0°
H14	C06	C07	H15	0.9°	0.0°
H16	C12	H17	H18	120.0°	119.9°
H28	C29	H29	C1	172.5°	120.0°
H28	C29	C1	O1	90.0°	55.0°
H28	C29	C1	H22	90.0°	65.0°
H28	C29	C1	H23	90.0°	175.0°
H29	C29	C1	O1	90.0°	175.0°
H29	C29	C1	H22	90.0°	55.0°
H29	C29	C1	H23	90.0°	65.0°
H31	C67	H32	H33	120.0°	120.0°
C29	C1	O1	H22	90.0°	120.0°
C29	C1	O1	H23	90.0°	120.0°
C29	C1	O1	C2	90.0°	180.0°
C29	C1	H22	H23	90.0°	120.0°
C1	O1	C2	C3	90.0°	180.0°
O1	C1	H22	H23	90.0°	120.0°
C1	O1	C2	H30	90.0°	60.0°
C1	O1	C2	H35	90.0°	60.0°
O1	C2	C3	H30	90.0°	120.1°
O1	C2	C3	H35	90.0°	120.0°
O1	C2	C3	N1	90.0°	180.0°
O1	C2	C3	O2	90.0°	0.0°
C2	O1	C1	H22	90.0°	60.0°
C2	O1	C1	H23	90.0°	60.0°
O1	C2	H30	H35	90.0°	120.0°
C2	C3	N1	O2	90.0°	179.9°
C2	C3	N1	C4	90.0°	180.0°
C3	C2	H30	H35	90.0°	119.9°
C2	C3	N1	H36	90.0°	0.1°
C3	N1	C4	H36	90.0°	180.0°
C3	N1	C4	C5	90.0°	155.0°
C3	N1	C4	C6	90.0°	85.0°
N1	C3	C2	H30	90.0°	59.9°
N1	C3	C2	H35	90.0°	60.1°
C3	N1	C4	H37	90.0°	35.0°
O2	C3	N1	C4	90.0°	0.0°
O2	C3	C2	H30	90.0°	120.0°
O2	C3	C2	H35	90.0°	120.0°
O2	C3	N1	H36	90.0°	180.0°
N1	C4	C5	C6	90.0°	120.0°
N1	C4	C5	H37	90.0°	120.0°
N1	C4	C6	H37	90.0°	120.0°
N1	C4	C6	C7	90.0°	66.1°
N1	C4	C6	C8	90.0°	173.9°
N1	C4	C6	C9	90.0°	53.9°
N1	C4	C5	O3	90.0°	34.5°
N1	C4	C5	N2	90.0°	145.5°
C5	C4	C6	H37	90.0°	120.1°
C5	C4	C6	C7	90.0°	174.0°
C5	C4	C6	C8	90.0°	53.9°
C5	C4	C6	C9	90.0°	66.0°
C4	C5	O3	N2	90.0°	180.0°
C4	C5	N2	C11	90.0°	5.2°
C4	C5	N2	C23	90.0°	175.2°
C5	C4	N1	H36	90.0°	25.0°
C4	C6	C7	C8	90.0°	120.0°
C4	C6	C7	C9	90.0°	119.9°
C4	C6	C8	C9	90.0°	120.0°
C6	C4	C5	O3	90.0°	85.4°
C6	C4	C5	N2	90.0°	94.5°
C6	C4	N1	H36	90.0°	95.0°
C4	C6	C7	H38	90.0°	60.0°
C4	C6	C7	H39	90.0°	180.0°
C4	C6	C7	H40	90.0°	60.0°
C4	C6	C8	H41	90.0°	55.7°
C4	C6	C8	H42	90.0°	175.7°
C4	C6	C8	H43	90.0°	64.3°
C4	C6	C9	H44	90.0°	60.0°
C4	C6	C9	H45	90.0°	180.0°
C4	C6	C9	H46	90.0°	60.1°
C7	C6	C8	C9	90.0°	120.1°
C7	C6	C4	H37	90.0°	53.9°
C6	C7	H38	H39	90.0°	120.0°
C6	C7	H38	H40	90.0°	120.1°
C6	C7	H39	H40	90.0°	120.0°
C7	C6	C8	H41	90.0°	175.7°
C7	C6	C8	H42	90.0°	64.3°
C7	C6	C8	H43	90.0°	55.7°
C7	C6	C9	H44	90.0°	60.0°
C7	C6	C9	H45	90.0°	60.1°
C7	C6	C9	H46	90.0°	180.0°
C8	C6	C4	H37	90.0°	66.1°
C8	C6	C7	H38	90.0°	60.0°
C8	C6	C7	H39	90.0°	60.0°
C8	C6	C7	H40	90.0°	180.0°
C6	C8	H41	H42	90.0°	119.9°
C6	C8	H41	H43	90.0°	120.0°
C6	C8	H42	H43	90.0°	119.9°
C8	C6	C9	H44	90.0°	180.0°
C8	C6	C9	H45	90.0°	60.0°
C8	C6	C9	H46	90.0°	59.9°
C9	C6	C4	H37	90.0°	173.9°
C9	C6	C7	H38	90.0°	180.0°
C9	C6	C7	H39	90.0°	60.0°
C9	C6	C7	H40	90.0°	59.9°
C9	C6	C8	H41	90.0°	64.3°
C9	C6	C8	H42	90.0°	55.7°
C9	C6	C8	H43	90.0°	175.7°
C6	C9	H44	H45	90.0°	120.0°
C6	C9	H44	H46	90.0°	120.1°
C6	C9	H45	H46	90.0°	120.0°
O3	C5	N2	C11	90.0°	174.9°
O3	C5	N2	C23	90.0°	4.8°
O3	C5	C4	H37	90.0°	154.5°
C5	N2	C11	C23	90.0°	179.7°
C5	N2	C11	C16	90.0°	155.9°
C5	N2	C23	C20	90.0°	178.9°
C5	N2	C23	C28	90.0°	61.6°
N2	C5	C4	H37	90.0°	25.5°
C5	N2	C11	H47	90.0°	37.1°
C5	N2	C11	H48	90.0°	85.3°
C5	N2	C23	H52	90.0°	59.6°
N2	C11	C16	H47	90.0°	118.9°
N2	C11	C16	H48	90.0°	118.9°
N2	C11	C16	C20	90.0°	37.0°
C11	N2	C23	C20	90.0°	1.4°
N2	C11	C16	O4	90.0°	81.1°
C11	N2	C23	C28	90.0°	118.1°
N2	C11	H47	H48	90.0°	122.3°
N2	C11	C16	H49	90.0°	155.1°
C11	N2	C23	H52	90.0°	120.7°
C11	C16	C20	O4	90.0°	118.1°
C11	C16	C20	H49	90.0°	118.1°
C11	C16	C20	C23	90.0°	35.3°
C16	C11	N2	C23	90.0°	24.3°
C11	C16	O4	H49	90.0°	123.9°
C16	C11	H47	H48	90.0°	122.2°
C11	C16	C20	H50	90.0°	153.9°
C11	C16	C20	H51	90.0°	82.9°
C11	C16	O4	H53	90.0°	61.4°
C16	C20	C23	H50	90.0°	118.5°
C16	C20	C23	H51	90.0°	118.3°
C16	C20	C23	N2	90.0°	21.8°
C20	C16	O4	H49	90.0°	123.9°
C16	C20	C23	C28	90.0°	141.6°
C20	C16	C11	H47	90.0°	155.9°
C20	C16	C11	H48	90.0°	81.9°
C16	C20	H50	H51	90.0°	123.2°
C16	C20	C23	H52	90.0°	97.3°
C20	C16	O4	H53	90.0°	173.6°
C20	C23	N2	C28	90.0°	119.5°
C20	C23	N2	H52	90.0°	119.2°
C23	C20	C16	O4	90.0°	82.8°
C20	C23	C28	H52	90.0°	121.1°
C20	C23	C28	N3	90.0°	61.5°
C20	C23	C28	O5	90.0°	118.6°
C23	C20	C16	H49	90.0°	153.4°
C23	C20	H50	H51	90.0°	123.2°
N2	C23	C28	H52	90.0°	121.0°
N2	C23	C28	N3	90.0°	179.4°
N2	C23	C28	O5	90.0°	0.6°
C23	N2	C11	H47	90.0°	143.2°
C23	N2	C11	H48	90.0°	94.5°
N2	C23	C20	H50	90.0°	140.3°
N2	C23	C20	H51	90.0°	96.4°
O4	C16	C11	H47	90.0°	37.8°
O4	C16	C11	H48	90.0°	160.1°
O4	C16	C20	H50	90.0°	35.8°
O4	C16	C20	H51	90.0°	159.0°
C23	C28	N3	O5	90.0°	180.0°
C23	C28	N3	C30	90.0°	180.0°
C28	C23	C20	H50	90.0°	100.0°
C28	C23	C20	H51	90.0°	23.3°
C23	C28	N3	H54	90.0°	0.0°
C28	N3	C30	H54	90.0°	180.0°
C28	N3	C30	C31	90.0°	180.0°
N3	C28	C23	H52	90.0°	59.6°
C28	N3	C30	H55	90.0°	60.0°
C28	N3	C30	H56	90.0°	60.0°
O5	C28	N3	C30	90.0°	0.0°
O5	C28	C23	H52	90.0°	120.4°
O5	C28	N3	H54	90.0°	180.0°
N3	C30	C31	H55	90.0°	120.0°
N3	C30	C31	H56	90.0°	120.0°
N3	C30	C31	C32	90.0°	90.0°
N3	C30	C31	C36	90.0°	90.3°
N3	C30	H55	H56	90.0°	119.9°
C30	C31	C32	C36	90.0°	179.7°
C30	C31	C32	C33	90.0°	180.0°
C30	C31	C36	C35	90.0°	179.7°
C31	C30	N3	H54	90.0°	0.0°
C31	C30	H55	H56	90.0°	120.1°
C30	C31	C32	H57	90.0°	0.0°
C30	C31	C36	H60	90.0°	0.3°
C31	C32	C33	H57	90.0°	180.0°
C31	C32	C33	C34	90.0°	0.0°
C32	C31	C36	C35	90.0°	0.6°
C32	C31	C30	H55	90.0°	30.0°
C32	C31	C30	H56	90.0°	150.0°
C31	C32	C33	H58	90.0°	180.0°
C32	C31	C36	H60	90.0°	180.0°
C32	C33	C34	H58	90.0°	180.0°
C32	C33	C34	C35	90.0°	0.0°
C33	C32	C31	C36	90.0°	0.3°
C32	C33	C34	C41	90.0°	180.0°
C33	C34	C35	C41	90.0°	179.9°
C33	C34	C35	C36	90.0°	0.2°
C33	C34	C41	S1	90.0°	132.8°
C33	C34	C41	C40	90.0°	46.9°
C34	C33	C32	H57	90.0°	180.0°
C33	C34	C35	H59	90.0°	180.0°
C34	C35	C36	H59	90.0°	179.8°
C34	C35	C36	C31	90.0°	0.5°
C35	C34	C41	S1	90.0°	47.3°
C35	C34	C41	C40	90.0°	133.0°
C35	C34	C33	H58	90.0°	180.0°
C34	C35	C36	H60	90.0°	179.9°
C35	C36	C31	H60	90.0°	179.4°
C36	C35	C34	C41	90.0°	179.7°
C36	C31	C30	H55	90.0°	149.7°
C36	C31	C30	H56	90.0°	29.7°
C36	C31	C32	H57	90.0°	179.7°
C31	C36	C35	H59	90.0°	179.7°
C34	C41	S1	C40	90.0°	179.7°
C34	C41	S1	C38	90.0°	180.0°
C34	C41	C40	N4	90.0°	179.8°
C34	C41	C40	C37	90.0°	0.3°
C41	C34	C33	H58	90.0°	0.1°
C41	C34	C35	H59	90.0°	0.1°
C41	S1	C38	N4	90.0°	0.0°
S1	C41	C40	N4	90.0°	0.4°
S1	C41	C40	C37	90.0°	180.0°
C41	S1	C38	H61	90.0°	180.0°
S1	C38	N4	H61	90.0°	179.9°
S1	C38	N4	C40	90.0°	0.2°
C38	S1	C41	C40	90.0°	0.3°
C38	N4	C40	C41	90.0°	0.5°
C38	N4	C40	C37	90.0°	180.0°
N4	C40	C41	C37	90.0°	179.5°
C40	N4	C38	H61	90.0°	179.7°
N4	C40	C37	H62	90.0°	95.2°
N4	C40	C37	H63	90.0°	144.8°
N4	C40	C37	H64	90.0°	24.8°
C41	C40	C37	H62	90.0°	85.3°
C41	C40	C37	H63	90.0°	34.6°
C41	C40	C37	H64	90.0°	154.7°
C40	C37	H62	H63	90.0°	120.0°
C40	C37	H62	H64	90.0°	120.0°
C40	C37	H63	H64	90.0°	120.0°
H36	N1	C4	H37	90.0°	145.0°
H38	C7	H39	H40	90.0°	120.0°
H41	C8	H42	H43	90.0°	120.1°
H44	C9	H45	H46	90.0°	120.0°
H47	C11	C16	H49	90.0°	86.0°
H48	C11	C16	H49	90.0°	36.3°
H49	C16	C20	H50	90.0°	88.0°
H49	C16	C20	H51	90.0°	35.2°
H49	C16	O4	H53	90.0°	62.5°
H50	C20	C23	H52	90.0°	21.2°
H51	C20	C23	H52	90.0°	144.5°
H54	N3	C30	H55	90.0°	120.0°
H54	N3	C30	H56	90.0°	120.0°
H57	C32	C33	H58	90.0°	0.0°
H59	C35	C36	H60	90.0°	0.3°
H62	C37	H63	H64	90.0°	120.0°

Release date:	2019-01-16
Definition date:	2018-09-11
Last modified:	2019-01-11
Release status:	REL
Processing site:	EBI
Derived from:	6HM0