A1H1T

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C11	C10	sing	0.00Å	1.53Å
C11	C12	sing	0.00Å	1.54Å
C15	C16	sing	0.00Å	1.53Å
C15	C14	sing	0.00Å	1.52Å
C16	C17	sing	0.00Å	1.52Å
C17	N04	sing	0.00Å	1.46Å
C17	O03	doub	0.00Å	1.18Å
C18	N04	sing	0.00Å	1.45Å
C18	C19	sing	0.00Å	1.52Å
C20	C21	sing	0.00Å	1.52Å
C20	C19	sing	0.00Å	1.52Å
C21	C22	sing	0.00Å	1.53Å
C22	N05	sing	0.00Å	1.44Å
C25	C26	sing	0.00Å	1.53Å
C25	N06	sing	0.00Å	1.45Å
C25	O01	doub	0.00Å	1.18Å
C26	N07	sing	0.00Å	1.45Å
C10	C09	sing	0.00Å	1.52Å
C13	C12	sing	0.00Å	1.53Å
C13	N03	sing	0.00Å	1.45Å
C24	C01	sing	0.00Å	1.53Å
C24	N06	sing	0.00Å	1.45Å
C28	N07	sing	0.00Å	1.44Å
C28	N08	doub	0.00Å	1.31Å	Aromatic
C28	C33	sing	0.00Å	1.38Å	Aromatic
C01	C02	sing	0.00Å	1.52Å
C02	C03	sing	0.00Å	1.53Å
C03	C04	sing	0.00Å	1.53Å
C04	N01	sing	0.00Å	1.44Å
N01	C05	sing	0.00Å	1.45Å
N01	O07	sing	0.00Å	1.39Å
C05	C06	sing	0.00Å	1.52Å
C05	O02	doub	0.00Å	1.17Å
C06	C07	sing	0.00Å	1.52Å
C07	C08	sing	0.00Å	1.52Å
C08	N02	sing	0.00Å	1.45Å
C08	O05	doub	0.00Å	1.17Å
N02	C09	sing	0.00Å	1.45Å
N03	C14	sing	0.00Å	1.45Å
N03	O08	sing	0.00Å	1.39Å
C14	O06	doub	0.00Å	1.17Å
N05	C23	sing	0.00Å	1.45Å
N05	O09	sing	0.00Å	1.39Å
C23	C27	sing	0.00Å	1.52Å
C23	O04	doub	0.00Å	1.17Å
N07	C29	sing	0.00Å	1.44Å
O07	FE	sing	0.00Å	2.33Å
C29	C34	doub	0.00Å	1.38Å	Aromatic
C29	N09	sing	0.00Å	1.31Å	Aromatic
N08	C30	sing	0.00Å	1.32Å	Aromatic
C30	C31	doub	0.00Å	1.38Å	Aromatic
C31	C32	sing	0.00Å	1.38Å	Aromatic
C32	C33	doub	0.00Å	1.38Å	Aromatic
C34	C35	sing	0.00Å	1.38Å	Aromatic
C35	C36	doub	0.00Å	1.38Å	Aromatic
C36	C37	sing	0.00Å	1.38Å	Aromatic
C37	N09	doub	0.00Å	1.32Å	Aromatic
C11	H1	sing	0.00Å	1.10Å
C11	H2	sing	0.00Å	1.10Å
C15	H3	sing	0.00Å	1.10Å
C15	H4	sing	0.00Å	1.10Å
C16	H5	sing	0.00Å	1.10Å
C16	H6	sing	0.00Å	1.10Å
C18	H7	sing	0.00Å	1.10Å
C18	H8	sing	0.00Å	1.10Å
C20	H9	sing	0.00Å	1.10Å
C20	H10	sing	0.00Å	1.10Å
C21	H11	sing	0.00Å	1.10Å
C21	H12	sing	0.00Å	1.10Å
C22	H13	sing	0.00Å	1.10Å
C22	H14	sing	0.00Å	1.10Å
C26	H15	sing	0.00Å	1.10Å
C26	H16	sing	0.00Å	1.10Å
C10	H17	sing	0.00Å	1.10Å
C10	H18	sing	0.00Å	1.10Å
C13	H19	sing	0.00Å	1.10Å
C13	H20	sing	0.00Å	1.10Å
C24	H21	sing	0.00Å	1.10Å
C24	H22	sing	0.00Å	1.10Å
C01	H23	sing	0.00Å	1.10Å
C01	H24	sing	0.00Å	1.10Å
C02	H25	sing	0.00Å	1.10Å
C02	H26	sing	0.00Å	1.10Å
C03	H27	sing	0.00Å	1.10Å
C03	H28	sing	0.00Å	1.10Å
C04	H29	sing	0.00Å	1.10Å
C04	H30	sing	0.00Å	1.10Å
C06	H31	sing	0.00Å	1.10Å
C06	H32	sing	0.00Å	1.10Å
C07	H33	sing	0.00Å	1.10Å
C07	H34	sing	0.00Å	1.10Å
N02	H35	sing	0.00Å	1.00Å
C09	H36	sing	0.00Å	1.10Å
C09	H37	sing	0.00Å	1.10Å
C12	H38	sing	0.00Å	1.10Å
C12	H39	sing	0.00Å	1.10Å
N04	H40	sing	0.00Å	1.00Å
C19	H41	sing	0.00Å	1.10Å
C19	H42	sing	0.00Å	1.10Å
N06	H43	sing	0.00Å	1.00Å
C27	H44	sing	0.00Å	1.10Å
C27	H45	sing	0.00Å	1.10Å
C27	H46	sing	0.00Å	1.10Å
O08	H47	sing	0.00Å	0.95Å
O09	H48	sing	0.00Å	0.95Å
C30	H49	sing	0.00Å	1.08Å
C31	H50	sing	0.00Å	1.08Å
C32	H51	sing	0.00Å	1.08Å
C33	H52	sing	0.00Å	1.08Å
C34	H53	sing	0.00Å	1.08Å
C35	H54	sing	0.00Å	1.08Å
C36	H55	sing	0.00Å	1.08Å
C37	H56	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C10	C11	C12	110.5°	90.0°
C11	C10	C09	112.6°	90.0°
C10	C11	H1	109.2°	90.0°
C10	C11	H2	109.2°	90.0°
C11	C10	H17	108.7°	90.0°
C11	C10	H18	108.7°	90.0°
C11	C12	C13	112.8°	90.0°
C12	C11	H1	109.2°	90.0°
C12	C11	H2	109.2°	90.0°
C11	C12	H38	108.7°	90.0°
C11	C12	H39	108.6°	90.0°
C16	C15	C14	109.6°	90.0°
C15	C16	C17	117.9°	90.0°
C16	C15	H3	109.4°	90.0°
C16	C15	H4	109.5°	90.0°
C15	C16	H5	107.3°	90.0°
C15	C16	H6	107.3°	90.0°
C15	C14	N03	120.1°	90.0°
C15	C14	O06	119.3°	90.0°
C14	C15	H3	109.4°	90.0°
C14	C15	H4	109.4°	90.0°
C16	C17	N04	121.2°	90.0°
C16	C17	O03	119.3°	90.0°
C17	C16	H5	107.3°	90.0°
C17	C16	H6	107.3°	90.0°
N04	C17	O03	119.4°	90.0°
C17	N04	C18	120.4°	90.0°
C17	N04	H40	119.8°	90.0°
N04	C18	C19	109.7°	90.0°
N04	C18	H7	109.4°	90.0°
N04	C18	H8	109.4°	90.0°
C18	N04	H40	119.8°	90.0°
C18	C19	C20	110.7°	90.0°
C19	C18	H7	109.4°	90.0°
C19	C18	H8	109.4°	90.0°
C18	C19	H41	109.2°	90.0°
C18	C19	H42	109.2°	90.0°
C21	C20	C19	111.1°	90.0°
C20	C21	C22	113.2°	90.0°
C21	C20	H9	109.1°	90.0°
C21	C20	H10	109.1°	90.0°
C20	C21	H11	108.5°	90.0°
C20	C21	H12	108.5°	90.0°
C19	C20	H9	109.0°	90.0°
C19	C20	H10	109.1°	90.0°
C20	C19	H41	109.2°	90.0°
C20	C19	H42	109.2°	90.0°
C21	C22	N05	111.0°	90.0°
C22	C21	H11	108.5°	90.0°
C22	C21	H12	108.5°	90.0°
C21	C22	H13	109.1°	90.0°
C21	C22	H14	109.1°	90.0°
C22	N05	C23	122.4°	90.0°
C22	N05	O09	118.3°	90.0°
N05	C22	H13	109.1°	90.0°
N05	C22	H14	109.1°	90.0°
C26	C25	N06	121.4°	90.0°
C26	C25	O01	119.5°	90.0°
C25	C26	N07	111.2°	90.0°
C25	C26	H15	109.0°	90.0°
C25	C26	H16	109.0°	90.0°
N06	C25	O01	119.1°	90.0°
C25	N06	C24	121.4°	90.0°
C25	N06	H43	119.3°	90.0°
C26	N07	C28	119.1°	90.0°
C26	N07	C29	119.5°	90.0°
N07	C26	H15	109.0°	90.0°
N07	C26	H16	109.0°	90.0°
C10	C09	N02	109.4°	90.0°
C09	C10	H17	108.7°	90.0°
C09	C10	H18	108.7°	90.0°
C10	C09	H36	109.5°	90.0°
C10	C09	H37	109.5°	90.0°
C12	C13	N03	108.2°	90.0°
C12	C13	H19	109.8°	90.0°
C12	C13	H20	109.8°	90.0°
C13	C12	H38	108.6°	90.0°
C13	C12	H39	108.6°	90.0°
C13	N03	C14	121.0°	90.0°
C13	N03	O08	118.5°	90.0°
N03	C13	H19	109.8°	90.0°
N03	C13	H20	109.8°	90.0°
C01	C24	N06	111.0°	90.0°
C24	C01	C02	111.7°	90.0°
C01	C24	H21	109.1°	90.0°
C01	C24	H22	109.1°	90.0°
C24	C01	H23	108.9°	90.0°
C24	C01	H24	108.9°	90.0°
N06	C24	H21	109.1°	90.0°
N06	C24	H22	109.1°	90.0°
C24	N06	H43	119.3°	90.0°
N07	C28	N08	119.2°	90.0°
N07	C28	C33	118.8°	90.0°
C28	N07	C29	116.4°	90.0°
N08	C28	C33	122.0°	90.0°
C28	N08	C30	121.8°	90.0°
C28	C33	C32	118.0°	90.0°
C28	C33	H52	121.0°	90.0°
C01	C02	C03	111.5°	90.0°
C02	C01	H23	108.9°	90.0°
C02	C01	H24	108.9°	90.0°
C01	C02	H25	109.0°	90.0°
C01	C02	H26	109.0°	90.0°
C02	C03	C04	113.7°	90.0°
C03	C02	H25	109.0°	90.0°
C03	C02	H26	109.0°	90.0°
C02	C03	H27	108.4°	90.0°
C02	C03	H28	108.4°	90.0°
C03	C04	N01	106.1°	90.0°
C04	C03	H27	108.4°	90.0°
C04	C03	H28	108.4°	90.0°
C03	C04	H29	110.3°	90.0°
C03	C04	H30	110.3°	90.0°
C04	N01	C05	122.1°	90.0°
C04	N01	O07	115.4°	90.0°
N01	C04	H29	110.3°	90.0°
N01	C04	H30	110.3°	90.0°
C05	N01	O07	122.5°	90.0°
N01	C05	C06	120.3°	90.0°
N01	C05	O02	120.3°	90.0°
N01	O07	FE	94.8°	90.0°
C06	C05	O02	119.3°	90.0°
C05	C06	C07	113.2°	90.0°
C05	C06	H31	108.5°	90.0°
C05	C06	H32	108.5°	90.0°
C06	C07	C08	116.0°	90.0°
C07	C06	H31	108.5°	90.0°
C07	C06	H32	108.5°	90.0°
C06	C07	H33	107.8°	90.0°
C06	C07	H34	107.8°	90.0°
C07	C08	N02	120.5°	90.0°
C07	C08	O05	119.1°	90.0°
C08	C07	H33	107.8°	90.0°
C08	C07	H34	107.8°	90.0°
N02	C08	O05	120.3°	90.0°
C08	N02	C09	119.3°	90.0°
C08	N02	H35	120.3°	90.0°
C09	N02	H35	120.4°	90.0°
N02	C09	H36	109.5°	90.0°
N02	C09	H37	109.5°	90.0°
C14	N03	O08	120.6°	90.0°
N03	C14	O06	120.6°	90.0°
N03	O08	H47	109.5°	90.0°
C23	N05	O09	119.4°	90.0°
N05	C23	C27	123.6°	90.0°
N05	C23	O04	118.5°	90.0°
N05	O09	H48	109.5°	90.0°
C27	C23	O04	117.9°	90.0°
C23	C27	H44	109.5°	90.0°
C23	C27	H45	109.5°	90.0°
C23	C27	H46	109.4°	90.0°
N07	C29	C34	120.0°	90.0°
N07	C29	N09	119.7°	90.0°
C34	C29	N09	120.2°	90.0°
C29	C34	C35	120.1°	90.0°
C29	C34	H53	119.9°	90.0°
C29	N09	C37	121.9°	90.0°
N08	C30	C31	119.5°	90.0°
N08	C30	H49	120.2°	90.0°
C30	C31	C32	120.1°	90.0°
C31	C30	H49	120.2°	90.0°
C30	C31	H50	120.0°	90.0°
C31	C32	C33	118.6°	90.0°
C32	C31	H50	119.9°	90.0°
C31	C32	H51	120.7°	90.0°
C33	C32	H51	120.7°	90.0°
C32	C33	H52	121.0°	90.0°
C34	C35	C36	117.4°	90.0°
C35	C34	H53	119.9°	90.0°
C34	C35	H54	121.3°	90.0°
C35	C36	C37	119.8°	90.0°
C36	C35	H54	121.3°	90.0°
C35	C36	H55	120.1°	90.0°
C36	C37	N09	120.5°	90.0°
C37	C36	H55	120.1°	90.0°
C36	C37	H56	119.7°	90.0°
N09	C37	H56	119.7°	90.0°
H1	C11	H2	109.4°	90.0°
H3	C15	H4	109.5°	90.0°
H5	C16	H6	109.5°	90.0°
H7	C18	H8	109.5°	90.0°
H9	C20	H10	109.5°	90.0°
H11	C21	H12	109.4°	90.0°
H13	C22	H14	109.4°	90.0°
H15	C26	H16	109.5°	90.0°
H17	C10	H18	109.5°	90.0°
H19	C13	H20	109.5°	90.0°
H21	C24	H22	109.4°	90.0°
H23	C01	H24	109.4°	90.0°
H25	C02	H26	109.5°	90.0°
H27	C03	H28	109.5°	90.0°
H29	C04	H30	109.5°	90.0°
H31	C06	H32	109.5°	90.0°
H33	C07	H34	109.4°	90.0°
H36	C09	H37	109.5°	90.0°
H38	C12	H39	109.4°	90.0°
H41	C19	H42	109.5°	90.0°
H44	C27	H45	109.5°	90.0°
H44	C27	H46	109.5°	90.0°
H45	C27	H46	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C10	C11	C12	H1	120.2°	90.0°
C10	C11	C12	H2	120.2°	90.0°
C11	C10	C09	H17	120.4°	90.0°
C11	C10	C09	H18	120.5°	90.0°
C10	C11	C12	C13	121.6°	90.0°
C11	C10	C09	N02	75.8°	90.0°
C10	C11	H1	H2	119.5°	90.0°
C11	C10	H17	H18	118.5°	90.0°
C11	C10	C09	H36	164.2°	90.0°
C11	C10	C09	H37	44.2°	90.0°
C10	C11	C12	H38	117.9°	90.0°
C10	C11	C12	H39	1.1°	90.0°
C12	C11	C10	C09	155.2°	90.0°
C11	C12	C13	H38	120.5°	90.0°
C11	C12	C13	H39	120.5°	90.0°
C11	C12	C13	N03	52.9°	90.0°
C12	C11	H1	H2	119.5°	90.0°
C12	C11	C10	H17	84.4°	90.0°
C12	C11	C10	H18	34.7°	90.0°
C11	C12	C13	H19	66.9°	90.0°
C11	C12	C13	H20	172.7°	90.0°
C11	C12	H38	H39	118.5°	90.0°
C16	C15	C14	H3	120.0°	90.0°
C16	C15	C14	H4	120.0°	90.0°
C15	C16	C17	H5	121.2°	90.0°
C15	C16	C17	H6	121.2°	90.0°
C15	C16	C17	N04	126.9°	90.0°
C15	C16	C17	O03	53.3°	90.0°
C16	C15	C14	N03	77.3°	90.0°
C16	C15	C14	O06	101.5°	90.0°
C16	C15	H3	H4	120.0°	90.0°
C15	C16	H5	H6	116.2°	90.0°
C14	C15	C16	C17	106.0°	90.0°
C15	C14	N03	C13	1.3°	90.0°
C15	C14	N03	O06	178.8°	90.0°
C15	C14	N03	O08	179.5°	90.0°
C14	C15	H3	H4	119.9°	90.0°
C14	C15	C16	H5	132.8°	90.0°
C14	C15	C16	H6	15.2°	90.0°
C16	C17	N04	O03	179.8°	90.0°
C16	C17	N04	C18	0.5°	90.0°
C17	C16	C15	H3	134.0°	90.0°
C17	C16	C15	H4	14.0°	90.0°
C17	C16	H5	H6	116.2°	90.0°
C16	C17	N04	H40	179.5°	90.0°
C17	N04	C18	H40	180.0°	90.0°
C17	N04	C18	C19	143.9°	90.0°
N04	C17	C16	H5	111.9°	90.0°
N04	C17	C16	H6	5.7°	90.0°
C17	N04	C18	H7	96.1°	90.0°
C17	N04	C18	H8	23.9°	90.0°
O03	C17	N04	C18	179.7°	90.0°
O03	C17	C16	H5	67.8°	90.0°
O03	C17	C16	H6	174.5°	90.0°
O03	C17	N04	H40	0.3°	90.0°
N04	C18	C19	H7	120.0°	90.0°
N04	C18	C19	H8	120.0°	90.0°
N04	C18	C19	C20	166.5°	90.0°
N04	C18	H7	H8	119.9°	90.0°
N04	C18	C19	H41	46.4°	90.0°
N04	C18	C19	H42	73.2°	90.0°
C18	C19	C20	C21	172.2°	90.0°
C18	C19	C20	H41	120.2°	90.0°
C18	C19	C20	H42	120.2°	90.0°
C19	C18	H7	H8	119.9°	90.0°
C18	C19	C20	H9	52.0°	90.0°
C18	C19	C20	H10	67.5°	90.0°
C19	C18	N04	H40	36.1°	90.0°
C18	C19	H41	H42	119.4°	90.0°
C21	C20	C19	H9	120.3°	90.0°
C21	C20	C19	H10	120.3°	90.0°
C20	C21	C22	H11	120.6°	90.0°
C20	C21	C22	H12	120.6°	90.0°
C20	C21	C22	N05	42.9°	90.0°
C21	C20	H9	H10	119.3°	90.0°
C20	C21	H11	H12	118.3°	90.0°
C20	C21	C22	H13	163.2°	90.0°
C20	C21	C22	H14	77.4°	90.0°
C21	C20	C19	H41	52.1°	90.0°
C21	C20	C19	H42	67.6°	90.0°
C19	C20	C21	C22	121.6°	90.0°
C20	C19	C18	H7	73.4°	90.0°
C20	C19	C18	H8	46.5°	90.0°
C19	C20	H9	H10	119.2°	90.0°
C19	C20	C21	H11	1.0°	90.0°
C19	C20	C21	H12	117.9°	90.0°
C20	C19	H41	H42	119.4°	90.0°
C21	C22	N05	H13	120.2°	90.0°
C21	C22	N05	H14	120.2°	90.0°
C21	C22	N05	C23	92.6°	90.0°
C21	C22	N05	O09	87.7°	90.0°
C22	C21	C20	H9	1.3°	90.0°
C22	C21	C20	H10	118.2°	90.0°
C22	C21	H11	H12	118.3°	90.0°
C21	C22	H13	H14	119.3°	90.0°
C22	N05	C23	O09	179.7°	90.0°
C22	N05	C23	C27	0.3°	90.0°
C22	N05	C23	O04	179.9°	90.0°
N05	C22	C21	H11	77.7°	90.0°
N05	C22	C21	H12	163.5°	90.0°
N05	C22	H13	H14	119.3°	90.0°
C22	N05	O09	H48	179.9°	90.0°
C26	C25	N06	O01	179.9°	90.0°
C25	C26	N07	H15	120.3°	90.0°
C25	C26	N07	H16	120.2°	90.0°
C26	C25	N06	C24	0.0°	90.0°
C25	C26	N07	C28	104.3°	90.0°
C25	C26	N07	C29	101.7°	90.0°
C25	C26	H15	H16	119.2°	90.0°
C26	C25	N06	H43	179.9°	90.0°
N06	C25	C26	N07	144.1°	90.0°
C25	N06	C24	C01	78.8°	90.0°
C25	N06	C24	H43	180.0°	90.0°
N06	C25	C26	H15	23.8°	90.0°
N06	C25	C26	H16	95.7°	90.0°
C25	N06	C24	H21	41.4°	90.0°
C25	N06	C24	H22	160.9°	90.0°
O01	C25	C26	N07	36.0°	90.0°
O01	C25	N06	C24	179.9°	90.0°
O01	C25	C26	H15	156.3°	90.0°
O01	C25	C26	H16	84.2°	90.0°
O01	C25	N06	H43	0.1°	90.0°
C26	N07	C28	C29	154.9°	90.0°
C26	N07	C28	N08	10.0°	90.0°
C26	N07	C28	C33	170.6°	90.0°
C26	N07	C29	C34	113.0°	90.0°
C26	N07	C29	N09	67.7°	90.0°
N07	C26	H15	H16	119.2°	90.0°
C10	C09	N02	C08	69.2°	90.0°
C10	C09	N02	H36	120.0°	90.0°
C10	C09	N02	H37	120.0°	90.0°
C09	C10	C11	H1	84.6°	90.0°
C09	C10	C11	H2	35.0°	90.0°
C09	C10	H17	H18	118.6°	90.0°
C10	C09	N02	H35	110.8°	90.0°
C10	C09	H36	H37	120.0°	90.0°
C12	C13	N03	H19	119.8°	90.0°
C12	C13	N03	H20	119.8°	90.0°
C12	C13	N03	C14	147.5°	90.0°
C12	C13	N03	O08	31.7°	90.0°
C13	C12	C11	H1	1.4°	90.0°
C13	C12	C11	H2	118.2°	90.0°
C12	C13	H19	H20	120.5°	90.0°
C13	C12	H38	H39	118.5°	90.0°
C13	N03	C14	O08	179.2°	90.0°
C13	N03	C14	O06	179.9°	90.0°
N03	C13	H19	H20	120.6°	90.0°
N03	C13	C12	H38	173.4°	90.0°
N03	C13	C12	H39	67.6°	90.0°
C13	N03	O08	H47	179.6°	90.0°
C01	C24	N06	H21	120.2°	90.0°
C01	C24	N06	H22	120.2°	90.0°
C24	C01	C02	H23	120.4°	90.0°
C24	C01	C02	H24	120.4°	90.0°
C24	C01	C02	C03	22.5°	90.0°
C01	C24	H21	H22	119.3°	90.0°
C24	C01	H23	H24	119.0°	90.0°
C24	C01	C02	H25	97.8°	90.0°
C24	C01	C02	H26	142.8°	90.0°
C01	C24	N06	H43	101.1°	90.0°
N06	C24	C01	C02	126.0°	90.0°
N06	C24	H21	H22	119.3°	90.0°
N06	C24	C01	H23	5.7°	90.0°
N06	C24	C01	H24	113.6°	90.0°
N07	C28	N08	C33	179.4°	90.0°
C28	N07	C29	C34	92.3°	90.0°
C28	N07	C29	N09	87.1°	90.0°
N07	C28	N08	C30	180.0°	90.0°
N07	C28	C33	C32	179.9°	90.0°
C28	N07	C26	H15	16.0°	90.0°
C28	N07	C26	H16	135.5°	90.0°
N07	C28	C33	H52	0.1°	90.0°
N08	C28	N07	C29	144.8°	90.0°
C28	N08	C30	C31	0.4°	90.0°
N08	C28	C33	C32	0.5°	90.0°
C28	N08	C30	H49	179.6°	90.0°
N08	C28	C33	H52	179.5°	90.0°
C33	C28	N07	C29	34.6°	90.0°
C33	C28	N08	C30	0.6°	90.0°
C28	C33	C32	C31	0.1°	90.0°
C28	C33	C32	H52	180.0°	90.0°
C28	C33	C32	H51	179.8°	90.0°
C01	C02	C03	H25	120.3°	90.0°
C01	C02	C03	H26	120.3°	90.0°
C01	C02	C03	C04	98.5°	90.0°
C02	C01	C24	H21	5.8°	90.0°
C02	C01	C24	H22	113.7°	90.0°
C02	C01	H23	H24	119.0°	90.0°
C01	C02	H25	H26	119.1°	90.0°
C01	C02	C03	H27	140.9°	90.0°
C01	C02	C03	H28	22.1°	90.0°
C02	C03	C04	H27	120.6°	90.0°
C02	C03	C04	H28	120.6°	90.0°
C02	C03	C04	N01	104.7°	90.0°
C03	C02	C01	H23	142.8°	90.0°
C03	C02	C01	H24	97.9°	90.0°
C03	C02	H25	H26	119.1°	90.0°
C02	C03	H27	H28	118.1°	90.0°
C02	C03	C04	H29	135.8°	90.0°
C02	C03	C04	H30	14.8°	90.0°
C03	C04	N01	H29	119.5°	90.0°
C03	C04	N01	H30	119.5°	90.0°
C03	C04	N01	C05	118.8°	90.0°
C03	C04	N01	O07	60.8°	90.0°
C04	C03	C02	H25	21.8°	90.0°
C04	C03	C02	H26	141.2°	90.0°
C04	C03	H27	H28	118.1°	90.0°
C03	C04	H29	H30	121.5°	90.0°
C04	N01	C05	O07	179.6°	90.0°
C04	N01	C05	C06	1.4°	90.0°
C04	N01	C05	O02	179.3°	90.0°
C04	N01	O07	FE	128.7°	90.0°
N01	C04	C03	H27	15.9°	90.0°
N01	C04	C03	H28	134.7°	90.0°
N01	C04	H29	H30	121.5°	90.0°
N01	C05	C06	O02	179.4°	90.0°
N01	C05	C06	C07	90.3°	90.0°
C05	N01	O07	FE	51.0°	90.0°
C05	N01	C04	H29	0.7°	90.0°
C05	N01	C04	H30	121.7°	90.0°
N01	C05	C06	H31	30.2°	90.0°
N01	C05	C06	H32	149.2°	90.0°
O07	N01	C05	C06	179.0°	90.0°
O07	N01	C05	O02	0.3°	90.0°
O07	N01	C04	H29	179.7°	90.0°
O07	N01	C04	H30	58.6°	90.0°
C05	C06	C07	H31	120.5°	90.0°
C05	C06	C07	H32	120.5°	90.0°
C05	C06	C07	C08	93.6°	90.0°
C05	C06	H31	H32	118.3°	90.0°
C05	C06	C07	H33	145.4°	90.0°
C05	C06	C07	H34	27.3°	90.0°
O02	C05	C06	C07	90.3°	90.0°
O02	C05	C06	H31	149.2°	90.0°
O02	C05	C06	H32	30.2°	90.0°
C06	C07	C08	H33	121.0°	90.0°
C06	C07	C08	H34	121.0°	90.0°
C06	C07	C08	N02	175.2°	90.0°
C06	C07	C08	O05	5.2°	90.0°
C07	C06	H31	H32	118.3°	90.0°
C06	C07	H33	H34	117.1°	90.0°
C07	C08	N02	O05	179.6°	90.0°
C07	C08	N02	C09	0.3°	90.0°
C08	C07	C06	H31	26.9°	90.0°
C08	C07	C06	H32	145.8°	90.0°
C08	C07	H33	H34	117.0°	90.0°
C07	C08	N02	H35	179.7°	90.0°
C08	N02	C09	H35	180.0°	90.0°
N02	C08	C07	H33	63.8°	90.0°
N02	C08	C07	H34	54.3°	90.0°
C08	N02	C09	H36	50.7°	90.0°
C08	N02	C09	H37	170.8°	90.0°
O05	C08	N02	C09	179.9°	90.0°
O05	C08	C07	H33	115.8°	90.0°
O05	C08	C07	H34	126.1°	90.0°
O05	C08	N02	H35	0.1°	90.0°
N02	C09	C10	H17	44.6°	90.0°
N02	C09	C10	H18	163.7°	90.0°
N02	C09	H36	H37	120.0°	90.0°
N03	C14	C15	H3	42.7°	90.0°
N03	C14	C15	H4	162.6°	90.0°
C14	N03	C13	H19	27.7°	90.0°
C14	N03	C13	H20	92.7°	90.0°
C14	N03	O08	H47	0.3°	90.0°
O08	N03	C14	O06	0.7°	90.0°
O08	N03	C13	H19	151.5°	90.0°
O08	N03	C13	H20	88.1°	90.0°
O06	C14	C15	H3	138.5°	90.0°
O06	C14	C15	H4	18.5°	90.0°
N05	C23	C27	O04	179.6°	90.0°
C23	N05	C22	H13	27.6°	90.0°
C23	N05	C22	H14	147.1°	90.0°
N05	C23	C27	H44	179.6°	90.0°
N05	C23	C27	H45	59.5°	90.0°
N05	C23	C27	H46	60.4°	90.0°
C23	N05	O09	H48	0.2°	90.0°
O09	N05	C23	C27	180.0°	90.0°
O09	N05	C23	O04	0.4°	90.0°
O09	N05	C22	H13	152.1°	90.0°
O09	N05	C22	H14	32.6°	90.0°
C23	C27	H44	H45	120.0°	90.0°
C23	C27	H44	H46	120.0°	90.0°
C23	C27	H45	H46	120.0°	90.0°
O04	C23	C27	H44	0.0°	90.0°
O04	C23	C27	H45	120.0°	90.0°
O04	C23	C27	H46	120.0°	90.0°
N07	C29	C34	N09	179.4°	90.0°
N07	C29	C34	C35	179.7°	90.0°
N07	C29	N09	C37	179.6°	90.0°
C29	N07	C26	H15	138.1°	90.0°
C29	N07	C26	H16	18.6°	90.0°
N07	C29	C34	H53	0.3°	90.0°
C29	C34	C35	H53	180.0°	90.0°
C29	C34	C35	C36	0.3°	90.0°
C34	C29	N09	C37	0.2°	90.0°
C29	C34	C35	H54	179.7°	90.0°
N09	C29	C34	C35	0.4°	90.0°
C29	N09	C37	C36	0.0°	90.0°
N09	C29	C34	H53	179.7°	90.0°
C29	N09	C37	H56	179.9°	90.0°
N08	C30	C31	H49	180.0°	90.0°
N08	C30	C31	C32	0.0°	90.0°
N08	C30	C31	H50	180.0°	90.0°
C30	C31	C32	H50	180.0°	90.0°
C30	C31	C32	C33	0.1°	90.0°
C30	C31	C32	H51	179.9°	90.0°
C31	C32	C33	H51	180.0°	90.0°
C32	C31	C30	H49	180.0°	90.0°
C31	C32	C33	H52	179.8°	90.0°
C33	C32	C31	H50	179.9°	90.0°
C34	C35	C36	H54	180.0°	90.0°
C34	C35	C36	C37	0.1°	90.0°
C34	C35	C36	H55	180.0°	90.0°
C35	C36	C37	H55	180.0°	90.0°
C35	C36	C37	N09	0.1°	90.0°
C36	C35	C34	H53	179.8°	90.0°
C35	C36	C37	H56	180.0°	90.0°
C36	C37	N09	H56	180.0°	90.0°
C37	C36	C35	H54	180.0°	90.0°
N09	C37	C36	H55	179.9°	90.0°
H1	C11	C10	H17	35.8°	90.0°
H1	C11	C10	H18	154.9°	90.0°
H1	C11	C12	H38	121.9°	90.0°
H1	C11	C12	H39	119.1°	90.0°
H2	C11	C10	H17	155.5°	90.0°
H2	C11	C10	H18	85.5°	90.0°
H2	C11	C12	H38	2.3°	90.0°
H2	C11	C12	H39	121.3°	90.0°
H3	C15	C16	H5	12.8°	90.0°
H3	C15	C16	H6	104.8°	90.0°
H4	C15	C16	H5	107.2°	90.0°
H4	C15	C16	H6	135.2°	90.0°
H7	C18	N04	H40	83.9°	90.0°
H7	C18	C19	H41	166.4°	90.0°
H7	C18	C19	H42	46.8°	90.0°
H8	C18	N04	H40	156.1°	90.0°
H8	C18	C19	H41	73.6°	90.0°
H8	C18	C19	H42	166.7°	90.0°
H9	C20	C21	H11	119.2°	90.0°
H9	C20	C21	H12	121.9°	90.0°
H9	C20	C19	H41	68.2°	90.0°
H9	C20	C19	H42	172.2°	90.0°
H10	C20	C21	H11	121.2°	90.0°
H10	C20	C21	H12	2.4°	90.0°
H10	C20	C19	H41	172.3°	90.0°
H10	C20	C19	H42	52.7°	90.0°
H11	C21	C22	H13	42.6°	90.0°
H11	C21	C22	H14	162.1°	90.0°
H12	C21	C22	H13	76.3°	90.0°
H12	C21	C22	H14	43.2°	90.0°
H17	C10	C09	H36	75.3°	90.0°
H17	C10	C09	H37	164.6°	90.0°
H18	C10	C09	H36	43.8°	90.0°
H18	C10	C09	H37	76.3°	90.0°
H19	C13	C12	H38	53.6°	90.0°
H19	C13	C12	H39	172.6°	90.0°
H20	C13	C12	H38	66.8°	90.0°
H20	C13	C12	H39	52.2°	90.0°
H21	C24	C01	H23	114.6°	90.0°
H21	C24	C01	H24	126.1°	90.0°
H21	C24	N06	H43	138.6°	90.0°
H22	C24	C01	H23	125.9°	90.0°
H22	C24	C01	H24	6.6°	90.0°
H22	C24	N06	H43	19.1°	90.0°
H23	C01	C02	H25	22.5°	90.0°
H23	C01	C02	H26	96.9°	90.0°
H24	C01	C02	H25	141.8°	90.0°
H24	C01	C02	H26	22.4°	90.0°
H25	C02	C03	H27	98.8°	90.0°
H25	C02	C03	H28	142.5°	90.0°
H26	C02	C03	H27	20.6°	90.0°
H26	C02	C03	H28	98.2°	90.0°
H27	C03	C04	H29	103.6°	90.0°
H27	C03	C04	H30	135.4°	90.0°
H28	C03	C04	H29	15.2°	90.0°
H28	C03	C04	H30	105.9°	90.0°
H31	C06	C07	H33	94.1°	90.0°
H31	C06	C07	H34	147.8°	90.0°
H32	C06	C07	H33	24.9°	90.0°
H32	C06	C07	H34	93.2°	90.0°
H35	N02	C09	H36	129.3°	90.0°
H35	N02	C09	H37	9.2°	90.0°
H44	C27	H45	H46	120.0°	90.0°
H49	C30	C31	H50	0.0°	90.0°
H50	C31	C32	H51	0.1°	90.0°
H51	C32	C33	H52	0.2°	90.0°
H53	C34	C35	H54	0.2°	90.0°
H54	C35	C36	H55	0.0°	90.0°
H55	C36	C37	H56	0.0°	90.0°

Release date:	2024-12-11
Definition date:	2024-01-05
Last modified:	2024-12-06
Release status:	REL
Processing site:	PDBE
Derived from:	8RM3