I2A

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N06	C26	sing	0.00Å	1.28Å
C26	O03	doub	0.00Å	1.30Å
C26	C25	sing	0.00Å	1.46Å
C25	C24	sing	0.00Å	1.53Å
O02	C23	doub	0.00Å	1.22Å
C24	C03	sing	0.00Å	1.55Å
C21	C02	sing	0.00Å	1.53Å
C23	N05	sing	0.00Å	1.35Å
C23	C22	sing	0.00Å	1.52Å
N11	C45	sing	0.00Å	1.27Å
C03	C02	sing	0.00Å	1.59Å
C03	C04	sing	0.00Å	1.51Å
C02	C22	sing	0.00Å	1.57Å
C02	C01	sing	0.00Å	1.60Å
C61	C56	sing	0.00Å	1.51Å
C27	C05	sing	0.00Å	1.54Å
C	C57	sing	0.00Å	1.53Å
C45	O08	doub	0.00Å	1.25Å
C45	C44	sing	0.00Å	1.54Å
C04	C05	sing	0.00Å	1.44Å
C04	N01	doub	0.00Å	1.29Å
C56	C57	doub	0.00Å	1.43Å	Aromatic
C56	C55	sing	0.00Å	1.40Å	Aromatic
C20	C01	sing	0.00Å	1.54Å
C05	C06	doub	0.00Å	1.37Å
C01	N01	sing	0.00Å	1.52Å
C01	C19	sing	0.00Å	1.54Å
C57	C58	sing	0.00Å	1.35Å	Aromatic
C44	C18	sing	0.00Å	1.54Å
C55	C60	doub	0.00Å	1.38Å	Aromatic
C28	C07	sing	0.00Å	1.51Å
N01	CO	sing	0.00Å	1.88Å
C58	C59	doub	0.00Å	1.41Å	Aromatic
C06	C07	sing	0.00Å	1.56Å
C06	N02	sing	0.00Å	1.40Å
C19	C18	sing	0.00Å	1.54Å
C19	N04	sing	0.00Å	1.48Å
C18	C17	sing	0.00Å	1.55Å
C60	C59	sing	0.00Å	1.41Å	Aromatic
C60	N	sing	0.00Å	1.40Å	Aromatic
C07	C29	sing	0.00Å	1.59Å
C07	C08	sing	0.00Å	1.57Å
C59	N12	sing	0.00Å	1.39Å	Aromatic
O05	C33	doub	0.00Å	1.32Å
O12	P	doub	0.00Å	1.50Å
O14	C50	sing	0.00Å	1.40Å
C31	C08	sing	0.00Å	1.54Å
C31	C32	doub	0.00Å	1.54Å
N02	CO	sing	0.00Å	1.90Å
N02	C09	doub	0.00Å	1.34Å
N	CO	sing	0.00Å	2.00Å
N	C54	doub	0.00Å	1.32Å	Aromatic
C29	C30	sing	0.00Å	1.52Å
CO	N04	sing	0.00Å	1.89Å
CO	O01	sing	0.00Å	1.92Å
CO	N03	sing	0.00Å	1.91Å
N04	C16	sing	0.00Å	1.31Å
C08	C09	sing	0.00Å	1.51Å
N07	C30	sing	0.00Å	1.29Å
C50	C49	sing	0.00Å	1.54Å
C50	C51	sing	0.00Å	1.54Å
N12	C54	sing	0.00Å	1.35Å	Aromatic
N12	C49	sing	0.00Å	1.45Å
C33	C32	sing	0.00Å	1.46Å
C33	N08	sing	0.00Å	1.24Å
C17	C40	sing	0.00Å	1.52Å
C17	C16	sing	0.00Å	1.57Å
C17	C41	sing	0.00Å	1.55Å
C09	C10	sing	0.00Å	1.37Å
C30	O04	doub	0.00Å	1.24Å
O10	P	sing	0.00Å	1.56Å
O10	C47	sing	0.00Å	1.45Å
P	O09	sing	0.00Å	1.61Å
P	O11	sing	0.00Å	1.50Å
C49	O13	sing	0.00Å	1.42Å
C16	C15	doub	0.00Å	1.46Å
C41	C42	sing	0.00Å	1.53Å
N10	C46	sing	0.00Å	1.48Å
N10	C43	sing	0.00Å	1.30Å
C42	C43	sing	0.00Å	1.52Å
O09	C51	sing	0.00Å	1.44Å
C51	C52	sing	0.00Å	1.52Å
C46	C47	sing	0.00Å	1.49Å
C43	O07	doub	0.00Å	1.25Å
N03	C11	sing	0.00Å	1.34Å
N03	C14	doub	0.00Å	1.39Å
C47	C48	sing	0.00Å	1.54Å
C10	C11	doub	0.00Å	1.37Å
O13	C52	sing	0.00Å	1.42Å
C15	C14	sing	0.00Å	1.38Å
C15	C39	sing	0.00Å	1.51Å
C52	C53	sing	0.00Å	1.50Å
C11	C12	sing	0.00Å	1.56Å
C14	C13	sing	0.00Å	1.53Å
C53	O	sing	0.00Å	1.42Å
C13	C12	sing	0.00Å	1.58Å
C13	C36	sing	0.00Å	1.54Å
C12	C34	sing	0.00Å	1.56Å
C12	C35	sing	0.00Å	1.39Å
C36	C37	sing	0.00Å	1.52Å
C37	C38	sing	0.00Å	1.49Å
C38	N09	sing	0.00Å	1.30Å
C38	O06	doub	0.00Å	1.24Å
C20	H1	sing	0.00Å	1.10Å
C20	H2	sing	0.00Å	1.10Å
C20	H3	sing	0.00Å	1.10Å
C25	H4	sing	0.00Å	1.10Å
C25	H5	sing	0.00Å	1.10Å
C27	H6	sing	0.00Å	1.10Å
C27	H7	sing	0.00Å	1.10Å
C27	H8	sing	0.00Å	1.10Å
C31	H9	sing	0.00Å	1.08Å
C32	H10	sing	0.00Å	1.08Å
C35	H11	sing	0.00Å	1.10Å
C35	H12	sing	0.00Å	1.10Å
C35	H13	sing	0.00Å	1.10Å
C36	H14	sing	0.00Å	1.10Å
C36	H15	sing	0.00Å	1.10Å
C37	H16	sing	0.00Å	1.10Å
C37	H17	sing	0.00Å	1.10Å
C41	H18	sing	0.00Å	1.10Å
C41	H19	sing	0.00Å	1.10Å
C42	H20	sing	0.00Å	1.10Å
C42	H21	sing	0.00Å	1.10Å
C10	H22	sing	0.00Å	1.08Å
C46	H25	sing	0.00Å	1.10Å
C46	H26	sing	0.00Å	1.10Å
C47	H27	sing	0.00Å	1.10Å
C13	H28	sing	0.00Å	1.10Å
C48	H29	sing	0.00Å	1.10Å
C48	H30	sing	0.00Å	1.10Å
C48	H31	sing	0.00Å	1.10Å
C49	H32	sing	0.00Å	1.10Å
C50	H33	sing	0.00Å	1.10Å
C53	H36	sing	0.00Å	1.10Å
C53	H37	sing	0.00Å	1.10Å
C54	H39	sing	0.00Å	1.08Å
C55	H40	sing	0.00Å	1.08Å
C18	H41	sing	0.00Å	1.10Å
C61	H42	sing	0.00Å	1.10Å
C61	H43	sing	0.00Å	1.10Å
C61	H44	sing	0.00Å	1.10Å
C19	H45	sing	0.00Å	1.10Å
N05	H46	sing	0.00Å	1.00Å
N05	H47	sing	0.00Å	1.00Å
N06	H48	sing	0.00Å	1.00Å
N06	H49	sing	0.00Å	1.00Å
N07	H50	sing	0.00Å	1.00Å
N07	H51	sing	0.00Å	1.00Å
N08	H52	sing	0.00Å	1.00Å
N08	H53	sing	0.00Å	1.00Å
N09	H54	sing	0.00Å	1.00Å
N09	H55	sing	0.00Å	1.00Å
N10	H56	sing	0.00Å	1.00Å
N11	H57	sing	0.00Å	1.00Å
N11	H58	sing	0.00Å	1.00Å
C03	H59	sing	0.00Å	1.10Å
C08	H63	sing	0.00Å	1.10Å
C21	H65	sing	0.00Å	1.10Å
C21	H66	sing	0.00Å	1.10Å
C21	H67	sing	0.00Å	1.10Å
C22	H68	sing	0.00Å	1.10Å
C22	H69	sing	0.00Å	1.10Å
C24	H70	sing	0.00Å	1.10Å
C24	H71	sing	0.00Å	1.10Å
C28	H72	sing	0.00Å	1.10Å
C28	H73	sing	0.00Å	1.10Å
C28	H74	sing	0.00Å	1.10Å
C29	H75	sing	0.00Å	1.10Å
C29	H76	sing	0.00Å	1.10Å
C34	H77	sing	0.00Å	1.10Å
C34	H78	sing	0.00Å	1.10Å
C34	H79	sing	0.00Å	1.10Å
C39	H80	sing	0.00Å	1.10Å
C39	H81	sing	0.00Å	1.10Å
C39	H82	sing	0.00Å	1.10Å
C40	H83	sing	0.00Å	1.10Å
C40	H84	sing	0.00Å	1.10Å
C40	H85	sing	0.00Å	1.10Å
C44	H86	sing	0.00Å	1.10Å
C44	H87	sing	0.00Å	1.10Å
C51	H88	sing	0.00Å	1.10Å
C52	H89	sing	0.00Å	1.10Å
C58	H90	sing	0.00Å	1.08Å
C	H91	sing	0.00Å	1.10Å
C	H92	sing	0.00Å	1.10Å
C	H93	sing	0.00Å	1.10Å
O11	H95	sing	0.00Å	0.95Å
O14	H96	sing	0.00Å	0.95Å
O	H97	sing	0.00Å	0.95Å
O01	H98	sing	0.00Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N06	C26	O03	126.1°	90.0°
N06	C26	C25	113.2°	90.0°
C26	N06	H48	120.0°	90.0°
C26	N06	H49	120.0°	90.0°
O03	C26	C25	120.7°	90.0°
C26	C25	C24	111.5°	90.0°
C26	C25	H4	108.9°	90.0°
C26	C25	H5	108.9°	90.0°
C25	C24	C03	114.0°	90.0°
C24	C25	H4	109.0°	90.0°
C24	C25	H5	108.9°	90.0°
C25	C24	H70	108.3°	90.0°
C25	C24	H71	108.3°	90.0°
O02	C23	N05	118.5°	90.0°
O02	C23	C22	126.8°	90.0°
C24	C03	C02	123.5°	90.0°
C24	C03	C04	111.0°	90.0°
C24	C03	H59	106.3°	90.0°
C03	C24	H70	108.3°	90.0°
C03	C24	H71	108.3°	90.0°
C21	C02	C03	116.7°	90.0°
C21	C02	C22	106.1°	90.0°
C21	C02	C01	114.6°	90.0°
C02	C21	H65	109.5°	90.0°
C02	C21	H66	109.4°	90.0°
C02	C21	H67	109.5°	90.0°
N05	C23	C22	114.6°	90.0°
C23	N05	H46	120.0°	90.0°
C23	N05	H47	120.0°	90.0°
C23	C22	C02	119.4°	90.0°
C23	C22	H68	106.9°	90.0°
C23	C22	H69	106.9°	90.0°
N11	C45	O08	122.7°	90.0°
N11	C45	C44	117.2°	90.0°
C45	N11	H57	120.0°	90.0°
C45	N11	H58	120.0°	90.0°
C02	C03	C04	102.4°	90.0°
C03	C02	C22	107.1°	90.0°
C03	C02	C01	100.6°	90.0°
C02	C03	H59	105.8°	90.0°
C03	C04	C05	124.4°	90.0°
C03	C04	N01	110.3°	90.0°
C04	C03	H59	106.7°	90.0°
C22	C02	C01	111.7°	90.0°
C02	C22	H68	106.9°	90.0°
C02	C22	H69	106.9°	90.0°
C02	C01	C20	114.1°	90.0°
C02	C01	N01	99.7°	90.0°
C02	C01	C19	120.7°	90.0°
C61	C56	C57	123.2°	90.0°
C61	C56	C55	117.5°	90.0°
C56	C61	H42	109.5°	90.0°
C56	C61	H43	109.5°	90.0°
C56	C61	H44	109.5°	90.0°
C27	C05	C04	115.0°	90.0°
C27	C05	C06	122.0°	90.0°
C05	C27	H6	109.5°	90.0°
C05	C27	H7	109.4°	90.0°
C05	C27	H8	109.5°	90.0°
C	C57	C56	121.3°	90.0°
C	C57	C58	118.2°	90.0°
C57	C	H91	109.5°	90.0°
C57	C	H92	109.5°	90.0°
C57	C	H93	109.5°	90.0°
O08	C45	C44	120.1°	90.0°
C45	C44	C18	116.1°	90.0°
C45	C44	H86	107.8°	90.0°
C45	C44	H87	107.8°	90.0°
C05	C04	N01	123.5°	90.0°
C04	C05	C06	119.3°	90.0°
C04	N01	C01	114.9°	90.0°
C04	N01	CO	128.0°	90.0°
C57	C56	C55	119.3°	90.0°
C56	C57	C58	120.5°	90.0°
C56	C55	C60	121.7°	90.0°
C56	C55	H40	119.2°	90.0°
C20	C01	N01	111.9°	90.0°
C20	C01	C19	107.9°	90.0°
C01	C20	H1	109.5°	90.0°
C01	C20	H2	109.5°	90.0°
C01	C20	H3	109.5°	90.0°
C05	C06	C07	131.0°	90.0°
C05	C06	N02	120.9°	90.0°
N01	C01	C19	101.3°	90.0°
C01	N01	CO	117.1°	90.0°
C01	C19	C18	124.3°	90.0°
C01	C19	N04	110.2°	90.0°
C01	C19	H45	105.5°	90.0°
C57	C58	C59	118.8°	90.0°
C57	C58	H90	120.6°	90.0°
C44	C18	C19	116.2°	90.0°
C44	C18	C17	120.0°	90.0°
C44	C18	H41	105.2°	90.0°
C18	C44	H86	107.8°	90.0°
C18	C44	H87	107.8°	90.0°
C55	C60	C59	116.8°	90.0°
C55	C60	N	133.9°	90.0°
C60	C55	H40	119.1°	90.0°
C28	C07	C06	119.9°	90.0°
C28	C07	C29	109.4°	90.0°
C28	C07	C08	113.3°	90.0°
C07	C28	H72	109.5°	90.0°
C07	C28	H73	109.5°	90.0°
C07	C28	H74	109.4°	90.0°
N01	CO	N02	90.6°	90.0°
N01	CO	N	92.1°	90.0°
N01	CO	N04	83.6°	90.0°
N01	CO	O01	90.6°	90.0°
N01	CO	N03	173.9°	90.0°
C58	C59	C60	122.8°	90.0°
C58	C59	N12	131.5°	90.0°
C59	C58	H90	120.6°	90.0°
C07	C06	N02	107.8°	90.0°
C06	C07	C29	106.9°	90.0°
C06	C07	C08	99.6°	90.0°
C06	N02	CO	127.0°	90.0°
C06	N02	C09	111.0°	90.0°
C18	C19	N04	104.0°	90.0°
C19	C18	C17	103.6°	90.0°
C19	C18	H41	105.3°	90.0°
C18	C19	H45	105.4°	90.0°
C19	N04	CO	115.0°	90.0°
C19	N04	C16	112.3°	90.0°
N04	C19	H45	106.1°	90.0°
C18	C17	C40	112.7°	90.0°
C18	C17	C16	101.5°	90.0°
C18	C17	C41	110.6°	90.0°
C17	C18	H41	105.2°	90.0°
C59	C60	N	109.3°	90.0°
C60	C59	N12	105.7°	90.0°
C60	N	CO	132.7°	90.0°
C60	N	C54	104.5°	90.0°
C29	C07	C08	106.8°	90.0°
C07	C29	C30	119.4°	90.0°
C07	C29	H75	106.9°	90.0°
C07	C29	H76	106.9°	90.0°
C07	C08	C31	117.3°	90.0°
C07	C08	C09	101.2°	90.0°
C07	C08	H63	108.1°	90.0°
C59	N12	C54	106.2°	90.0°
C59	N12	C49	126.7°	90.0°
O05	C33	C32	121.2°	90.0°
O05	C33	N08	121.6°	90.0°
O12	P	O10	102.6°	90.0°
O12	P	O09	110.8°	90.0°
O12	P	O11	118.9°	90.0°
O14	C50	C49	112.0°	90.0°
O14	C50	C51	113.0°	90.0°
O14	C50	H33	111.1°	90.0°
C50	O14	H96	109.5°	90.0°
C08	C31	C32	116.6°	90.0°
C31	C08	C09	112.5°	90.0°
C08	C31	H9	121.7°	90.0°
C31	C08	H63	108.5°	90.0°
C31	C32	C33	119.0°	90.0°
C32	C31	H9	121.7°	90.0°
C31	C32	H10	120.5°	90.0°
CO	N02	C09	121.9°	90.0°
N02	CO	N	91.1°	90.0°
N02	CO	N04	168.3°	90.0°
N02	CO	O01	85.4°	90.0°
N02	CO	N03	95.5°	90.0°
N02	C09	C08	110.6°	90.0°
N02	C09	C10	121.9°	90.0°
CO	N	C54	122.7°	90.0°
N	CO	N04	99.2°	90.0°
N	CO	O01	175.6°	90.0°
N	CO	N03	87.7°	90.0°
N	C54	N12	114.2°	90.0°
N	C54	H39	122.9°	90.0°
C29	C30	N07	117.8°	90.0°
C29	C30	O04	118.6°	90.0°
C30	C29	H75	106.9°	90.0°
C30	C29	H76	106.9°	90.0°
N04	CO	O01	84.5°	90.0°
N04	CO	N03	90.4°	90.0°
CO	N04	C16	132.6°	90.0°
O01	CO	N03	90.0°	90.0°
CO	O01	H98	109.5°	90.0°
CO	N03	C11	123.4°	90.0°
CO	N03	C14	125.7°	90.0°
N04	C16	C17	110.5°	90.0°
N04	C16	C15	121.7°	90.0°
C08	C09	C10	123.1°	90.0°
C09	C08	H63	108.8°	90.0°
N07	C30	O04	123.6°	90.0°
C30	N07	H50	120.0°	90.0°
C30	N07	H51	120.0°	90.0°
C49	C50	C51	102.2°	90.0°
C50	C49	N12	115.1°	90.0°
C50	C49	O13	107.5°	90.0°
C50	C49	H32	107.1°	90.0°
C49	C50	H33	109.1°	90.0°
C50	C51	O09	111.9°	90.0°
C50	C51	C52	103.1°	90.0°
C51	C50	H33	109.1°	90.0°
C50	C51	H88	109.6°	90.0°
C54	N12	C49	127.1°	90.0°
N12	C54	H39	122.9°	90.0°
N12	C49	O13	110.4°	90.0°
N12	C49	H32	108.1°	90.0°
C32	C33	N08	117.1°	90.0°
C33	C32	H10	120.5°	90.0°
C33	N08	H52	120.0°	90.0°
C33	N08	H53	120.0°	90.0°
C40	C17	C16	109.0°	90.0°
C40	C17	C41	107.6°	90.0°
C17	C40	H83	109.5°	90.0°
C17	C40	H84	109.5°	90.0°
C17	C40	H85	109.5°	90.0°
C16	C17	C41	115.5°	90.0°
C17	C16	C15	127.8°	90.0°
C17	C41	C42	119.8°	90.0°
C17	C41	H18	106.8°	90.0°
C17	C41	H19	106.9°	90.0°
C09	C10	C11	125.3°	90.0°
C09	C10	H22	117.3°	90.0°
P	O10	C47	122.7°	90.0°
O10	P	O09	100.1°	90.0°
O10	P	O11	112.7°	90.0°
O10	C47	C46	107.2°	90.0°
O10	C47	C48	108.5°	90.0°
O10	C47	H27	110.7°	90.0°
O09	P	O11	109.9°	90.0°
P	O09	C51	122.2°	90.0°
P	O11	H95	109.5°	90.0°
C49	O13	C52	110.7°	90.0°
O13	C49	H32	108.5°	90.0°
C16	C15	C14	120.1°	90.0°
C16	C15	C39	122.6°	90.0°
C41	C42	C43	111.7°	90.0°
C42	C41	H18	106.9°	90.0°
C42	C41	H19	106.8°	90.0°
C41	C42	H20	108.9°	90.0°
C41	C42	H21	108.9°	90.0°
C46	N10	C43	126.3°	90.0°
N10	C46	C47	113.7°	90.0°
N10	C46	H25	108.4°	90.0°
N10	C46	H26	108.4°	90.0°
C46	N10	H56	116.9°	90.0°
N10	C43	C42	116.6°	90.0°
N10	C43	O07	125.0°	90.0°
C43	N10	H56	116.9°	90.0°
C42	C43	O07	118.4°	90.0°
C43	C42	H20	108.9°	90.0°
C43	C42	H21	108.9°	90.0°
O09	C51	C52	111.0°	90.0°
O09	C51	H88	111.1°	90.0°
C51	C52	O13	106.8°	90.0°
C51	C52	C53	115.8°	90.0°
C52	C51	H88	109.9°	90.0°
C51	C52	H89	107.2°	90.0°
C46	C47	C48	110.7°	90.0°
C47	C46	H25	108.4°	90.0°
C47	C46	H26	108.4°	90.0°
C46	C47	H27	110.1°	90.0°
C11	N03	C14	110.4°	90.0°
N03	C11	C10	123.3°	90.0°
N03	C11	C12	109.4°	90.0°
N03	C14	C15	124.4°	90.0°
N03	C14	C13	110.2°	90.0°
C48	C47	H27	109.6°	90.0°
C47	C48	H29	109.5°	90.0°
C47	C48	H30	109.5°	90.0°
C47	C48	H31	109.4°	90.0°
C10	C11	C12	124.8°	90.0°
C11	C10	H22	117.4°	90.0°
O13	C52	C53	110.9°	90.0°
O13	C52	H89	108.5°	90.0°
C14	C15	C39	114.4°	90.0°
C15	C14	C13	124.6°	90.0°
C15	C39	H80	109.5°	90.0°
C15	C39	H81	109.5°	90.0°
C15	C39	H82	109.5°	90.0°
C52	C53	O	112.6°	90.0°
C52	C53	H36	108.7°	90.0°
C52	C53	H37	108.7°	90.0°
C53	C52	H89	107.4°	90.0°
C11	C12	C13	100.2°	90.0°
C11	C12	C34	112.4°	90.0°
C11	C12	C35	113.5°	90.0°
C14	C13	C12	99.5°	90.0°
C14	C13	C36	110.4°	90.0°
C14	C13	H28	105.1°	90.0°
O	C53	H36	108.6°	90.0°
O	C53	H37	108.7°	90.0°
C53	O	H97	109.5°	90.0°
C12	C13	C36	130.0°	90.0°
C13	C12	C34	112.5°	90.0°
C13	C12	C35	117.4°	90.0°
C12	C13	H28	104.6°	90.0°
C13	C36	C37	118.4°	90.0°
C13	C36	H14	107.2°	90.0°
C13	C36	H15	107.2°	90.0°
C36	C13	H28	105.0°	90.0°
C34	C12	C35	101.4°	90.0°
C12	C34	H77	109.5°	90.0°
C12	C34	H78	109.5°	90.0°
C12	C34	H79	109.5°	90.0°
C12	C35	H11	109.5°	90.0°
C12	C35	H12	109.5°	90.0°
C12	C35	H13	109.4°	90.0°
C36	C37	C38	113.9°	90.0°
C37	C36	H14	107.2°	90.0°
C37	C36	H15	107.2°	90.0°
C36	C37	H16	108.4°	90.0°
C36	C37	H17	108.4°	90.0°
C37	C38	N09	116.9°	90.0°
C37	C38	O06	120.2°	90.0°
C38	C37	H16	108.3°	90.0°
C38	C37	H17	108.3°	90.0°
N09	C38	O06	122.9°	90.0°
C38	N09	H54	120.0°	90.0°
C38	N09	H55	120.0°	90.0°
H1	C20	H2	109.5°	90.0°
H1	C20	H3	109.4°	90.0°
H2	C20	H3	109.5°	90.0°
H4	C25	H5	109.5°	90.0°
H6	C27	H7	109.5°	90.0°
H6	C27	H8	109.4°	90.0°
H7	C27	H8	109.5°	90.0°
H11	C35	H12	109.4°	90.0°
H11	C35	H13	109.5°	90.0°
H12	C35	H13	109.5°	90.0°
H14	C36	H15	109.5°	90.0°
H16	C37	H17	109.5°	90.0°
H18	C41	H19	109.4°	90.0°
H20	C42	H21	109.4°	90.0°
H25	C46	H26	109.5°	90.0°
H29	C48	H30	109.5°	90.0°
H29	C48	H31	109.5°	90.0°
H30	C48	H31	109.5°	90.0°
H36	C53	H37	109.5°	90.0°
H42	C61	H43	109.5°	90.0°
H42	C61	H44	109.5°	90.0°
H43	C61	H44	109.4°	90.0°
H46	N05	H47	120.0°	90.0°
H48	N06	H49	120.0°	90.0°
H50	N07	H51	120.0°	90.0°
H52	N08	H53	120.0°	90.0°
H54	N09	H55	120.0°	90.0°
H57	N11	H58	120.0°	90.0°
H65	C21	H66	109.4°	90.0°
H65	C21	H67	109.5°	90.0°
H66	C21	H67	109.5°	90.0°
H68	C22	H69	109.5°	90.0°
H70	C24	H71	109.5°	90.0°
H72	C28	H73	109.4°	90.0°
H72	C28	H74	109.5°	90.0°
H73	C28	H74	109.5°	90.0°
H75	C29	H76	109.5°	90.0°
H77	C34	H78	109.5°	90.0°
H77	C34	H79	109.4°	90.0°
H78	C34	H79	109.5°	90.0°
H80	C39	H81	109.5°	90.0°
H80	C39	H82	109.4°	90.0°
H81	C39	H82	109.5°	90.0°
H83	C40	H84	109.5°	90.0°
H83	C40	H85	109.5°	90.0°
H84	C40	H85	109.5°	90.0°
H86	C44	H87	109.5°	90.0°
H91	C	H92	109.5°	90.0°
H91	C	H93	109.5°	90.0°
H92	C	H93	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N06	C26	O03	C25	179.8°	90.0°
N06	C26	C25	C24	99.3°	90.0°
N06	C26	C25	H4	140.3°	90.0°
N06	C26	C25	H5	21.0°	90.0°
C26	N06	H48	H49	179.9°	90.0°
O03	C26	C25	C24	80.8°	90.0°
O03	C26	C25	H4	39.5°	90.0°
O03	C26	C25	H5	158.9°	90.0°
O03	C26	N06	H48	0.0°	90.0°
O03	C26	N06	H49	180.0°	90.0°
C26	C25	C24	H4	120.3°	90.0°
C26	C25	C24	H5	120.3°	90.0°
C26	C25	C24	C03	174.7°	90.0°
C26	C25	H4	H5	119.0°	90.0°
C25	C26	N06	H48	179.9°	90.0°
C25	C26	N06	H49	0.2°	90.0°
C26	C25	C24	H70	64.6°	90.0°
C26	C25	C24	H71	54.0°	90.0°
C25	C24	C03	H70	120.7°	90.0°
C25	C24	C03	H71	120.7°	90.0°
C25	C24	C03	C02	101.1°	90.0°
C25	C24	C03	C04	137.0°	90.0°
C24	C25	H4	H5	119.1°	90.0°
C25	C24	C03	H59	21.3°	90.0°
C25	C24	H70	H71	117.9°	90.0°
O02	C23	N05	C22	179.3°	90.0°
O02	C23	C22	C02	41.7°	90.0°
O02	C23	N05	H46	0.0°	90.0°
O02	C23	N05	H47	180.0°	90.0°
O02	C23	C22	H68	163.1°	90.0°
O02	C23	C22	H69	79.7°	90.0°
C24	C03	C02	C21	31.9°	90.0°
C24	C03	C02	C04	125.8°	90.0°
C24	C03	C02	H59	122.6°	90.0°
C24	C03	C04	H59	115.5°	90.0°
C24	C03	C02	C22	150.5°	90.0°
C24	C03	C02	C01	92.6°	90.0°
C24	C03	C04	C05	84.6°	90.0°
C24	C03	C04	N01	110.1°	90.0°
C03	C24	C25	H4	54.4°	90.0°
C03	C24	C25	H5	65.0°	90.0°
C03	C24	H70	H71	118.0°	90.0°
C21	C02	C22	C23	79.2°	90.0°
C21	C02	C03	C22	118.6°	90.0°
C21	C02	C03	C01	124.6°	90.0°
C21	C02	C03	C04	157.7°	90.0°
C21	C02	C22	C01	125.5°	90.0°
C21	C02	C01	C20	37.4°	90.0°
C21	C02	C01	N01	156.9°	90.0°
C21	C02	C01	C19	93.7°	90.0°
C21	C02	C03	H59	90.7°	90.0°
C02	C21	H65	H66	120.0°	90.0°
C02	C21	H65	H67	120.0°	90.0°
C02	C21	H66	H67	120.0°	90.0°
C21	C02	C22	H68	159.4°	90.0°
C21	C02	C22	H69	42.2°	90.0°
N05	C23	C22	C02	139.0°	90.0°
C23	N05	H46	H47	180.0°	90.0°
N05	C23	C22	H68	17.6°	90.0°
N05	C23	C22	H69	99.6°	90.0°
C23	C22	C02	C03	46.1°	90.0°
C23	C22	C02	H68	121.4°	90.0°
C23	C22	C02	H69	121.4°	90.0°
C23	C22	C02	C01	155.3°	90.0°
C22	C23	N05	H46	179.3°	90.0°
C22	C23	N05	H47	0.7°	90.0°
C23	C22	H68	H69	115.5°	90.0°
N11	C45	O08	C44	179.2°	90.0°
N11	C45	C44	C18	146.6°	90.0°
C45	N11	H57	H58	180.0°	90.0°
N11	C45	C44	H86	25.7°	90.0°
N11	C45	C44	H87	92.4°	90.0°
C02	C03	C04	H59	111.0°	90.0°
C03	C02	C22	C01	109.2°	90.0°
C02	C03	C04	C05	141.8°	90.0°
C02	C03	C04	N01	23.4°	90.0°
C03	C02	C01	C20	88.6°	90.0°
C03	C02	C01	N01	30.9°	90.0°
C03	C02	C01	C19	140.4°	90.0°
C03	C02	C21	H65	180.0°	90.0°
C03	C02	C21	H66	60.0°	90.0°
C03	C02	C21	H67	60.0°	90.0°
C03	C02	C22	H68	75.3°	90.0°
C03	C02	C22	H69	167.5°	90.0°
C02	C03	C24	H70	19.5°	90.0°
C02	C03	C24	H71	138.2°	90.0°
C04	C03	C02	C22	83.7°	90.0°
C04	C03	C02	C01	33.1°	90.0°
C03	C04	C05	C27	41.6°	90.0°
C03	C04	C05	N01	163.4°	90.0°
C03	C04	C05	C06	159.5°	90.0°
C03	C04	N01	C01	2.3°	90.0°
C03	C04	N01	CO	179.3°	90.0°
C04	C03	C24	H70	102.4°	90.0°
C04	C03	C24	H71	16.3°	90.0°
C22	C02	C01	C20	158.0°	90.0°
C22	C02	C01	N01	82.5°	90.0°
C22	C02	C01	C19	27.0°	90.0°
C22	C02	C03	H59	27.9°	90.0°
C22	C02	C21	H65	60.8°	90.0°
C22	C02	C21	H66	59.2°	90.0°
C22	C02	C21	H67	179.2°	90.0°
C02	C22	H68	H69	115.5°	90.0°
C02	C01	N01	C04	19.6°	90.0°
C02	C01	C20	N01	112.3°	90.0°
C02	C01	C20	C19	137.1°	90.0°
C02	C01	N01	C19	124.2°	90.0°
C02	C01	N01	CO	159.1°	90.0°
C02	C01	C19	C18	91.2°	90.0°
C02	C01	C19	N04	144.6°	90.0°
C02	C01	C20	H1	180.0°	90.0°
C02	C01	C20	H2	60.0°	90.0°
C02	C01	C20	H3	60.0°	90.0°
C02	C01	C19	H45	30.4°	90.0°
C01	C02	C03	H59	144.8°	90.0°
C01	C02	C21	H65	62.9°	90.0°
C01	C02	C21	H66	177.1°	90.0°
C01	C02	C21	H67	57.1°	90.0°
C01	C02	C22	H68	33.9°	90.0°
C01	C02	C22	H69	83.3°	90.0°
C61	C56	C57	C	0.2°	90.0°
C61	C56	C57	C55	179.1°	90.0°
C61	C56	C57	C58	179.8°	90.0°
C61	C56	C55	C60	177.9°	90.0°
C61	C56	C55	H40	2.1°	90.0°
C56	C61	H42	H43	120.0°	90.0°
C56	C61	H42	H44	120.0°	90.0°
C56	C61	H43	H44	120.0°	90.0°
C27	C05	C04	C06	158.9°	90.0°
C27	C05	C04	N01	121.8°	90.0°
C27	C05	C06	C07	40.5°	90.0°
C27	C05	C06	N02	132.8°	90.0°
C05	C27	H6	H7	120.0°	90.0°
C05	C27	H6	H8	120.0°	90.0°
C05	C27	H7	H8	120.0°	90.0°
C	C57	C56	C58	180.0°	90.0°
C	C57	C56	C55	178.9°	90.0°
C	C57	C58	C59	179.9°	90.0°
C	C57	C58	H90	0.1°	90.0°
C57	C	H91	H92	120.0°	90.0°
C57	C	H91	H93	120.0°	90.0°
C57	C	H92	H93	120.0°	90.0°
O08	C45	C44	C18	34.2°	90.0°
O08	C45	N11	H57	0.0°	90.0°
O08	C45	N11	H58	180.0°	90.0°
O08	C45	C44	H86	155.1°	90.0°
O08	C45	C44	H87	86.8°	90.0°
C45	C44	C18	H86	121.0°	90.0°
C45	C44	C18	H87	120.9°	90.0°
C45	C44	C18	C19	112.2°	90.0°
C45	C44	C18	C17	121.9°	90.0°
C45	C44	C18	H41	3.9°	90.0°
C44	C45	N11	H57	179.2°	90.0°
C44	C45	N11	H58	0.8°	90.0°
C45	C44	H86	H87	117.0°	90.0°
C05	C04	N01	C01	163.2°	90.0°
C05	C04	N01	CO	15.3°	90.0°
C04	C05	C06	C07	162.1°	90.0°
C04	C05	C06	N02	24.6°	90.0°
C04	C05	C27	H6	180.0°	90.0°
C04	C05	C27	H7	60.0°	90.0°
C04	C05	C27	H8	60.0°	90.0°
C05	C04	C03	H59	30.9°	90.0°
C04	N01	C01	C20	101.5°	90.0°
N01	C04	C05	C06	37.1°	90.0°
C04	N01	C01	CO	178.6°	90.0°
C04	N01	C01	C19	143.8°	90.0°
C04	N01	CO	N02	10.2°	90.0°
C04	N01	CO	N	101.3°	90.0°
C04	N01	CO	N04	159.6°	90.0°
C04	N01	CO	O01	75.2°	90.0°
C04	N01	CO	N03	170.5°	90.0°
N01	C04	C03	H59	134.4°	90.0°
C57	C56	C55	C60	3.0°	90.0°
C56	C57	C58	C59	0.1°	90.0°
C57	C56	C55	H40	177.0°	90.0°
C57	C56	C61	H42	89.5°	90.0°
C57	C56	C61	H43	150.5°	90.0°
C57	C56	C61	H44	30.5°	90.0°
C56	C57	C58	H90	179.9°	90.0°
C56	C57	C	H91	90.0°	90.0°
C56	C57	C	H92	150.0°	90.0°
C56	C57	C	H93	30.0°	90.0°
C55	C56	C57	C58	1.1°	90.0°
C56	C55	C60	H40	180.0°	90.0°
C56	C55	C60	C59	3.6°	90.0°
C56	C55	C60	N	179.4°	90.0°
C55	C56	C61	H42	89.6°	90.0°
C55	C56	C61	H43	30.4°	90.0°
C55	C56	C61	H44	150.4°	90.0°
C20	C01	N01	C19	114.7°	90.0°
C20	C01	N01	CO	79.9°	90.0°
C20	C01	C19	C18	42.6°	90.0°
C20	C01	C19	N04	81.7°	90.0°
C01	C20	H1	H2	120.0°	90.0°
C01	C20	H1	H3	120.0°	90.0°
C01	C20	H2	H3	120.0°	90.0°
C20	C01	C19	H45	164.1°	90.0°
C05	C06	C07	C28	37.2°	90.0°
C05	C06	C07	N02	173.9°	90.0°
C05	C06	C07	C29	87.9°	90.0°
C05	C06	C07	C08	161.2°	90.0°
C05	C06	N02	CO	6.7°	90.0°
C05	C06	N02	C09	176.2°	90.0°
C06	C05	C27	H6	21.7°	90.0°
C06	C05	C27	H7	141.7°	90.0°
C06	C05	C27	H8	98.3°	90.0°
N01	C01	C19	C18	160.3°	90.0°
N01	C01	C19	N04	36.0°	90.0°
C01	N01	CO	N02	171.4°	90.0°
C01	N01	CO	N	80.3°	90.0°
C01	N01	CO	N04	18.8°	90.0°
C01	N01	CO	O01	103.2°	90.0°
C01	N01	CO	N03	7.9°	90.0°
N01	C01	C20	H1	67.7°	90.0°
N01	C01	C20	H2	172.3°	90.0°
N01	C01	C20	H3	52.3°	90.0°
N01	C01	C19	H45	78.1°	90.0°
C01	C19	C18	C44	71.1°	90.0°
C19	C01	N01	CO	34.9°	90.0°
C01	C19	C18	N04	126.9°	90.0°
C01	C19	C18	H45	121.6°	90.0°
C01	C19	N04	H45	113.7°	90.0°
C01	C19	C18	C17	155.1°	90.0°
C01	C19	N04	CO	26.1°	90.0°
C01	C19	N04	C16	156.8°	90.0°
C19	C01	C20	H1	42.9°	90.0°
C19	C01	C20	H2	77.1°	90.0°
C19	C01	C20	H3	162.9°	90.0°
C01	C19	C18	H41	44.9°	90.0°
C57	C58	C59	H90	180.0°	90.0°
C57	C58	C59	C60	0.9°	90.0°
C57	C58	C59	N12	179.8°	90.0°
C58	C57	C	H91	90.0°	90.0°
C58	C57	C	H92	30.0°	90.0°
C58	C57	C	H93	150.0°	90.0°
C44	C18	C19	C17	133.8°	90.0°
C44	C18	C19	H41	116.0°	90.0°
C44	C18	C19	N04	162.0°	90.0°
C44	C18	C17	H41	118.1°	90.0°
C44	C18	C17	C40	39.8°	90.0°
C44	C18	C17	C16	156.2°	90.0°
C44	C18	C17	C41	80.7°	90.0°
C44	C18	C19	H45	50.5°	90.0°
C18	C44	H86	H87	117.0°	90.0°
C55	C60	C59	C58	2.6°	90.0°
C55	C60	C59	N	177.7°	90.0°
C55	C60	C59	N12	178.2°	90.0°
C55	C60	N	CO	0.9°	90.0°
C55	C60	N	C54	176.6°	90.0°
C28	C07	C06	C29	125.1°	90.0°
C28	C07	C06	C08	124.0°	90.0°
C28	C07	C06	N02	148.9°	90.0°
C28	C07	C29	C08	123.0°	90.0°
C28	C07	C08	C31	35.3°	90.0°
C28	C07	C29	C30	67.0°	90.0°
C28	C07	C08	C09	158.1°	90.0°
C28	C07	C08	H63	87.7°	90.0°
C07	C28	H72	H73	120.0°	90.0°
C07	C28	H72	H74	120.0°	90.0°
C07	C28	H73	H74	120.0°	90.0°
C28	C07	C29	H75	54.4°	90.0°
C28	C07	C29	H76	171.6°	90.0°
N01	CO	N02	C06	21.1°	90.0°
N01	CO	N04	C19	4.8°	90.0°
N01	CO	N	C60	50.4°	90.0°
N01	CO	N02	N	92.1°	90.0°
N01	CO	N02	N04	60.2°	90.0°
N01	CO	N02	O01	90.6°	90.0°
N01	CO	N02	N03	179.9°	90.0°
N01	CO	N02	C09	162.2°	90.0°
N01	CO	N	N04	83.8°	90.0°
N01	CO	N	O01	128.0°	90.0°
N01	CO	N	N03	173.9°	90.0°
N01	CO	N	C54	126.8°	90.0°
N01	CO	N04	O01	91.2°	90.0°
N01	CO	N04	N03	178.8°	90.0°
N01	CO	O01	N03	173.9°	90.0°
N01	CO	N04	C16	178.9°	90.0°
N01	CO	N03	C11	171.2°	90.0°
N01	CO	N03	C14	0.4°	90.0°
N01	CO	O01	H98	180.0°	90.0°
C58	C59	C60	N12	179.2°	90.0°
C58	C59	C60	N	179.7°	90.0°
C58	C59	N12	C54	179.6°	90.0°
C58	C59	N12	C49	2.1°	90.0°
C06	C07	C29	C08	105.8°	90.0°
C06	C07	C08	C31	93.2°	90.0°
C07	C06	N02	CO	167.9°	90.0°
C07	C06	N02	C09	9.1°	90.0°
C06	C07	C29	C30	161.8°	90.0°
C06	C07	C08	C09	29.6°	90.0°
C06	C07	C08	H63	143.8°	90.0°
C06	C07	C28	H72	180.0°	90.0°
C06	C07	C28	H73	60.0°	90.0°
C06	C07	C28	H74	60.0°	90.0°
C06	C07	C29	H75	76.8°	90.0°
C06	C07	C29	H76	40.5°	90.0°
N02	C06	C07	C29	86.1°	90.0°
N02	C06	C07	C08	24.8°	90.0°
C06	N02	CO	C09	176.8°	90.0°
C06	N02	CO	N	113.2°	90.0°
C06	N02	CO	N04	39.1°	90.0°
C06	N02	CO	O01	69.5°	90.0°
C06	N02	CO	N03	159.0°	90.0°
C06	N02	C09	C08	12.2°	90.0°
C06	N02	C09	C10	145.1°	90.0°
C18	C19	N04	H45	111.0°	90.0°
C19	C18	C17	H41	110.3°	90.0°
C18	C19	N04	CO	161.4°	90.0°
C18	C19	N04	C16	21.5°	90.0°
C19	C18	C17	C40	91.8°	90.0°
C19	C18	C17	C16	24.6°	90.0°
C19	C18	C17	C41	147.7°	90.0°
C19	C18	C44	H86	8.8°	90.0°
C19	C18	C44	H87	126.9°	90.0°
N04	C19	C18	C17	28.2°	90.0°
C19	N04	CO	N02	56.0°	90.0°
C19	N04	CO	N	95.9°	90.0°
C19	N04	CO	C16	176.3°	90.0°
C19	N04	CO	O01	86.4°	90.0°
C19	N04	CO	N03	176.4°	90.0°
C19	N04	C16	C17	5.3°	90.0°
C19	N04	C16	C15	173.4°	90.0°
N04	C19	C18	H41	82.0°	90.0°
C18	C17	C16	N04	13.0°	90.0°
C18	C17	C40	C16	111.9°	90.0°
C18	C17	C40	C41	122.2°	90.0°
C18	C17	C16	C41	119.7°	90.0°
C18	C17	C16	C15	168.4°	90.0°
C18	C17	C41	C42	68.6°	90.0°
C18	C17	C41	H18	169.9°	90.0°
C18	C17	C41	H19	52.8°	90.0°
C17	C18	C19	H45	83.3°	90.0°
C18	C17	C40	H83	180.0°	90.0°
C18	C17	C40	H84	60.0°	90.0°
C18	C17	C40	H85	60.0°	90.0°
C17	C18	C44	H86	117.1°	90.0°
C17	C18	C44	H87	1.0°	90.0°
C59	C60	N	CO	178.1°	90.0°
C59	C60	N	C54	0.5°	90.0°
C60	C59	N12	C54	1.3°	90.0°
C60	C59	N12	C49	178.8°	90.0°
C59	C60	C55	H40	176.4°	90.0°
C60	C59	C58	H90	179.1°	90.0°
N	C60	C59	N12	0.5°	90.0°
C60	N	CO	N02	40.3°	90.0°
C60	N	CO	C54	177.2°	90.0°
C60	N	CO	N04	134.2°	90.0°
C60	N	CO	O01	77.6°	90.0°
C60	N	CO	N03	135.7°	90.0°
C60	N	C54	N12	1.4°	90.0°
C60	N	C54	H39	178.5°	90.0°
N	C60	C55	H40	0.6°	90.0°
C29	C07	C08	C31	155.8°	90.0°
C07	C29	C30	H75	121.4°	90.0°
C07	C29	C30	H76	121.4°	90.0°
C29	C07	C08	C09	81.4°	90.0°
C07	C29	C30	N07	98.9°	90.0°
C07	C29	C30	O04	82.2°	90.0°
C29	C07	C08	H63	32.8°	90.0°
C29	C07	C28	H72	56.2°	90.0°
C29	C07	C28	H73	176.1°	90.0°
C29	C07	C28	H74	63.8°	90.0°
C07	C29	H75	H76	115.5°	90.0°
C07	C08	C31	C09	116.7°	90.0°
C07	C08	C31	H63	122.8°	90.0°
C07	C08	C31	C32	171.8°	90.0°
C07	C08	C09	N02	27.6°	90.0°
C08	C07	C29	C30	56.0°	90.0°
C07	C08	C09	H63	113.7°	90.0°
C07	C08	C09	C10	129.4°	90.0°
C07	C08	C31	H9	8.1°	90.0°
C08	C07	C28	H72	62.8°	90.0°
C08	C07	C28	H73	57.1°	90.0°
C08	C07	C28	H74	177.2°	90.0°
C08	C07	C29	H75	177.4°	90.0°
C08	C07	C29	H76	65.4°	90.0°
C59	N12	C54	N	1.8°	90.0°
C59	N12	C49	C50	88.5°	90.0°
C59	N12	C54	C49	177.5°	90.0°
C59	N12	C49	O13	149.7°	90.0°
C59	N12	C49	H32	31.2°	90.0°
C59	N12	C54	H39	178.2°	90.0°
N12	C59	C58	H90	0.2°	90.0°
O05	C33	C32	C31	34.4°	90.0°
O05	C33	C32	N08	179.6°	90.0°
O05	C33	C32	H10	145.6°	90.0°
O05	C33	N08	H52	0.0°	90.0°
O05	C33	N08	H53	180.0°	90.0°
O12	P	O10	O09	114.2°	90.0°
O12	P	O10	O11	129.0°	90.0°
O12	P	O10	C47	179.4°	90.0°
O12	P	O09	O11	133.4°	90.0°
O12	P	O09	C51	77.3°	90.0°
O12	P	O11	H95	0.0°	90.0°
O14	C50	C49	C51	121.2°	90.0°
O14	C50	C49	H33	123.5°	90.0°
O14	C50	C51	H33	124.1°	90.0°
O14	C50	C49	N12	23.9°	90.0°
O14	C50	C49	O13	99.5°	90.0°
O14	C50	C51	O09	28.8°	90.0°
O14	C50	C51	C52	90.5°	90.0°
O14	C50	C49	H32	144.1°	90.0°
O14	C50	C51	H88	152.5°	90.0°
C08	C31	C32	H9	180.0°	90.0°
C31	C08	C09	N02	98.4°	90.0°
C31	C08	C09	H63	120.3°	90.0°
C08	C31	C32	C33	164.2°	90.0°
C31	C08	C09	C10	104.6°	90.0°
C08	C31	C32	H10	15.8°	90.0°
C32	C31	C08	C09	55.1°	90.0°
C31	C32	C33	H10	180.0°	90.0°
C31	C32	C33	N08	146.0°	90.0°
C32	C31	C08	H63	65.4°	90.0°
N02	CO	N	N04	174.5°	90.0°
N02	CO	N	O01	37.3°	90.0°
N02	CO	N	N03	95.5°	90.0°
N02	CO	N	C54	142.5°	90.0°
N02	CO	N04	O01	30.4°	90.0°
N02	CO	N04	N03	120.3°	90.0°
N02	CO	O01	N03	95.5°	90.0°
N02	CO	N04	C16	120.2°	90.0°
CO	N02	C09	C08	170.6°	90.0°
CO	N02	C09	C10	32.1°	90.0°
N02	CO	N03	C11	8.1°	90.0°
N02	CO	N03	C14	179.7°	90.0°
N02	CO	O01	H98	89.4°	90.0°
C09	N02	CO	N	70.0°	90.0°
C09	N02	CO	N04	137.7°	90.0°
C09	N02	CO	O01	107.3°	90.0°
C09	N02	CO	N03	17.8°	90.0°
N02	C09	C08	C10	157.0°	90.0°
N02	C09	C10	C11	35.0°	90.0°
N02	C09	C10	H22	145.0°	90.0°
N02	C09	C08	H63	141.3°	90.0°
N	CO	N04	O01	177.6°	90.0°
N	CO	N04	N03	87.7°	90.0°
N	CO	O01	N03	58.1°	90.0°
N	CO	N04	C16	87.8°	90.0°
CO	N	C54	N12	179.3°	90.0°
N	CO	N03	C11	82.8°	90.0°
N	CO	N03	C14	88.8°	90.0°
CO	N	C54	H39	0.7°	90.0°
N	CO	O01	H98	52.0°	90.0°
C54	N	CO	N04	43.0°	90.0°
C54	N	CO	O01	105.2°	90.0°
C54	N	CO	N03	47.0°	90.0°
N	C54	N12	H39	180.0°	90.0°
N	C54	N12	C49	179.3°	90.0°
C29	C30	N07	O04	178.8°	90.0°
C29	C30	N07	H50	178.7°	90.0°
C29	C30	N07	H51	1.3°	90.0°
C30	C29	H75	H76	115.5°	90.0°
N04	CO	O01	N03	90.4°	90.0°
CO	N04	C16	C17	178.4°	90.0°
CO	N04	C16	C15	2.9°	90.0°
N04	CO	N03	C11	177.9°	90.0°
N04	CO	N03	C14	10.4°	90.0°
CO	N04	C19	H45	87.6°	90.0°
N04	CO	O01	H98	96.5°	90.0°
O01	CO	N04	C16	89.8°	90.0°
O01	CO	N03	C11	93.4°	90.0°
O01	CO	N03	C14	95.0°	90.0°
N03	CO	N04	C16	0.1°	90.0°
CO	N03	C11	C14	172.7°	90.0°
CO	N03	C11	C10	11.6°	90.0°
CO	N03	C14	C15	26.2°	90.0°
CO	N03	C11	C12	174.3°	90.0°
CO	N03	C14	C13	163.6°	90.0°
N03	CO	O01	H98	6.1°	90.0°
N04	C16	C17	C40	106.2°	90.0°
N04	C16	C17	C15	178.6°	90.0°
N04	C16	C17	C41	132.6°	90.0°
N04	C16	C15	C14	16.2°	90.0°
N04	C16	C15	C39	143.3°	90.0°
C16	N04	C19	H45	89.4°	90.0°
C08	C09	C10	C11	170.5°	90.0°
C09	C08	C31	H9	124.9°	90.0°
C08	C09	C10	H22	9.5°	90.0°
C30	N07	H50	H51	180.0°	90.0°
N07	C30	C29	H75	22.4°	90.0°
N07	C30	C29	H76	139.7°	90.0°
C49	C50	C51	H33	115.4°	90.0°
C50	C49	N12	C54	88.6°	90.0°
C50	C49	N12	O13	121.9°	90.0°
C50	C49	N12	H32	119.6°	90.0°
C50	C49	O13	H32	115.5°	90.0°
C49	C50	C51	O09	149.3°	90.0°
C49	C50	C51	C52	29.9°	90.0°
C50	C49	O13	C52	4.0°	90.0°
C49	C50	C51	H88	87.0°	90.0°
C49	C50	O14	H96	180.0°	90.0°
C51	C50	C49	N12	145.1°	90.0°
C50	C51	O09	P	104.5°	90.0°
C51	C50	C49	O13	21.6°	90.0°
C50	C51	O09	C52	114.6°	90.0°
C50	C51	O09	H88	122.8°	90.0°
C50	C51	C52	H88	116.8°	90.0°
C50	C51	C52	O13	29.0°	90.0°
C50	C51	C52	C53	153.0°	90.0°
C51	C50	C49	H32	94.7°	90.0°
C50	C51	C52	H89	87.1°	90.0°
C51	C50	O14	H96	65.3°	90.0°
C54	N12	C49	O13	33.3°	90.0°
C54	N12	C49	H32	151.8°	90.0°
N12	C49	O13	H32	118.3°	90.0°
N12	C49	O13	C52	130.3°	90.0°
N12	C49	C50	H33	99.6°	90.0°
C49	N12	C54	H39	0.7°	90.0°
C33	C32	C31	H9	15.8°	90.0°
C32	C33	N08	H52	179.6°	90.0°
C32	C33	N08	H53	0.5°	90.0°
N08	C33	C32	H10	34.0°	90.0°
C33	N08	H52	H53	180.0°	90.0°
C40	C17	C16	C41	121.2°	90.0°
C40	C17	C16	C15	72.4°	90.0°
C40	C17	C41	C42	167.9°	90.0°
C40	C17	C41	H18	46.4°	90.0°
C40	C17	C41	H19	70.7°	90.0°
C40	C17	C18	H41	157.9°	90.0°
C17	C40	H83	H84	120.0°	90.0°
C17	C40	H83	H85	120.0°	90.0°
C17	C40	H84	H85	120.0°	90.0°
C16	C17	C41	C42	45.9°	90.0°
C17	C16	C15	C14	165.3°	90.0°
C17	C16	C15	C39	35.2°	90.0°
C16	C17	C41	H18	75.6°	90.0°
C16	C17	C41	H19	167.4°	90.0°
C16	C17	C18	H41	85.7°	90.0°
C16	C17	C40	H83	68.1°	90.0°
C16	C17	C40	H84	51.9°	90.0°
C16	C17	C40	H85	171.9°	90.0°
C41	C17	C16	C15	48.8°	90.0°
C17	C41	C42	H18	121.5°	90.0°
C17	C41	C42	H19	121.5°	90.0°
C17	C41	C42	C43	173.9°	90.0°
C17	C41	H18	H19	115.3°	90.0°
C17	C41	C42	H20	65.7°	90.0°
C17	C41	C42	H21	53.6°	90.0°
C41	C17	C18	H41	37.4°	90.0°
C41	C17	C40	H83	57.8°	90.0°
C41	C17	C40	H84	177.8°	90.0°
C41	C17	C40	H85	62.2°	90.0°
C09	C10	C11	N03	23.6°	90.0°
C09	C10	C11	H22	180.0°	90.0°
C09	C10	C11	C12	176.2°	90.0°
C10	C09	C08	H63	15.7°	90.0°
O04	C30	N07	H50	0.0°	90.0°
O04	C30	N07	H51	180.0°	90.0°
O04	C30	C29	H75	156.4°	90.0°
O04	C30	C29	H76	39.2°	90.0°
O10	P	O09	O11	118.8°	90.0°
O10	P	O09	C51	174.9°	90.0°
P	O10	C47	C46	131.0°	90.0°
P	O10	C47	C48	109.4°	90.0°
P	O10	C47	H27	10.8°	90.0°
O10	P	O11	H95	120.1°	90.0°
C47	O10	P	O09	66.4°	90.0°
C47	O10	P	O11	50.3°	90.0°
O10	C47	C46	N10	58.1°	90.0°
O10	C47	C46	C48	118.2°	90.0°
O10	C47	C46	H27	120.6°	90.0°
O10	C47	C48	H27	121.0°	90.0°
O10	C47	C46	H25	178.7°	90.0°
O10	C47	C46	H26	62.5°	90.0°
O10	C47	C48	H29	180.0°	90.0°
O10	C47	C48	H30	60.0°	90.0°
O10	C47	C48	H31	60.0°	90.0°
P	O09	C51	C52	140.9°	90.0°
P	O09	C51	H88	18.4°	90.0°
O09	P	O11	H95	129.2°	90.0°
O11	P	O09	C51	56.1°	90.0°
C49	O13	C52	C51	16.0°	90.0°
C49	O13	C52	C53	142.9°	90.0°
O13	C49	C50	H33	137.0°	90.0°
C49	O13	C52	H89	99.3°	90.0°
C16	C15	C14	N03	28.3°	90.0°
C16	C15	C14	C39	161.1°	90.0°
C16	C15	C14	C13	162.8°	90.0°
C16	C15	C39	H80	180.0°	90.0°
C16	C15	C39	H81	60.0°	90.0°
C16	C15	C39	H82	60.0°	90.0°
C41	C42	C43	N10	98.6°	90.0°
C41	C42	C43	H20	120.3°	90.0°
C41	C42	C43	H21	120.4°	90.0°
C41	C42	C43	O07	82.5°	90.0°
C42	C41	H18	H19	115.3°	90.0°
C41	C42	H20	H21	119.0°	90.0°
C46	N10	C43	H56	180.0°	90.0°
C46	N10	C43	C42	179.9°	90.0°
N10	C46	C47	H25	120.6°	90.0°
N10	C46	C47	H26	120.6°	90.0°
C46	N10	C43	O07	1.1°	90.0°
N10	C46	C47	C48	176.2°	90.0°
N10	C46	H25	H26	118.1°	90.0°
N10	C46	C47	H27	62.5°	90.0°
N10	C43	C42	O07	178.9°	90.0°
C43	N10	C46	C47	82.2°	90.0°
N10	C43	C42	H20	21.8°	90.0°
N10	C43	C42	H21	141.1°	90.0°
C43	N10	C46	H25	38.4°	90.0°
C43	N10	C46	H26	157.2°	90.0°
C43	C42	C41	H18	52.4°	90.0°
C43	C42	C41	H19	64.6°	90.0°
C43	C42	H20	H21	119.0°	90.0°
C42	C43	N10	H56	0.1°	90.0°
O09	C51	C52	H88	123.3°	90.0°
O09	C51	C52	O13	148.9°	90.0°
O09	C51	C52	C53	87.1°	90.0°
O09	C51	C50	H33	95.3°	90.0°
O09	C51	C52	H89	32.8°	90.0°
C51	C52	O13	C53	126.9°	90.0°
C51	C52	O13	H89	115.3°	90.0°
C51	C52	C53	H89	119.8°	90.0°
C51	C52	C53	O	75.5°	90.0°
C52	C51	C50	H33	145.4°	90.0°
C51	C52	C53	H36	164.0°	90.0°
C51	C52	C53	H37	44.9°	90.0°
C46	C47	C48	H27	121.6°	90.0°
C47	C46	H25	H26	118.1°	90.0°
C46	C47	C48	H29	62.6°	90.0°
C46	C47	C48	H30	57.4°	90.0°
C46	C47	C48	H31	177.4°	90.0°
C47	C46	N10	H56	97.8°	90.0°
O07	C43	C42	H20	157.1°	90.0°
O07	C43	C42	H21	37.8°	90.0°
O07	C43	N10	H56	178.9°	90.0°
N03	C11	C10	C12	160.1°	90.0°
C11	N03	C14	C15	161.3°	90.0°
C11	N03	C14	C13	8.9°	90.0°
N03	C11	C12	C13	28.0°	90.0°
N03	C11	C12	C34	91.6°	90.0°
N03	C11	C12	C35	154.0°	90.0°
N03	C11	C10	H22	156.4°	90.0°
C14	N03	C11	C10	175.7°	90.0°
N03	C14	C15	C13	168.8°	90.0°
N03	C14	C15	C39	132.7°	90.0°
C14	N03	C11	C12	12.9°	90.0°
N03	C14	C13	C12	25.6°	90.0°
N03	C14	C13	C36	113.6°	90.0°
N03	C14	C13	H28	133.6°	90.0°
C48	C47	C46	H25	63.2°	90.0°
C48	C47	C46	H26	55.6°	90.0°
C47	C48	H29	H30	120.0°	90.0°
C47	C48	H29	H31	120.0°	90.0°
C47	C48	H30	H31	120.0°	90.0°
C10	C11	C12	C13	169.5°	90.0°
C10	C11	C12	C34	70.9°	90.0°
C10	C11	C12	C35	43.5°	90.0°
O13	C52	C53	H89	118.4°	90.0°
O13	C52	C53	O	46.3°	90.0°
C52	O13	C49	H32	111.4°	90.0°
O13	C52	C53	H36	74.2°	90.0°
O13	C52	C53	H37	166.7°	90.0°
O13	C52	C51	H88	87.8°	90.0°
C15	C14	C13	C12	144.6°	90.0°
C15	C14	C13	C36	76.2°	90.0°
C15	C14	C13	H28	36.5°	90.0°
C14	C15	C39	H80	19.5°	90.0°
C14	C15	C39	H81	100.5°	90.0°
C14	C15	C39	H82	139.5°	90.0°
C39	C15	C14	C13	36.1°	90.0°
C15	C39	H80	H81	120.0°	90.0°
C15	C39	H80	H82	120.0°	90.0°
C15	C39	H81	H82	120.0°	90.0°
C52	C53	O	H36	120.5°	90.0°
C52	C53	O	H37	120.5°	90.0°
C52	C53	H36	H37	118.6°	90.0°
C53	C52	C51	H88	36.2°	90.0°
C52	C53	O	H97	180.0°	90.0°
C11	C12	C13	C14	29.9°	90.0°
C11	C12	C13	C34	119.6°	90.0°
C11	C12	C13	C35	123.4°	90.0°
C11	C12	C13	C36	97.1°	90.0°
C11	C12	C34	C35	121.6°	90.0°
C11	C12	C35	H11	180.0°	90.0°
C11	C12	C35	H12	60.0°	90.0°
C11	C12	C35	H13	60.0°	90.0°
C12	C11	C10	H22	3.7°	90.0°
C11	C12	C13	H28	138.3°	90.0°
C11	C12	C34	H77	180.0°	90.0°
C11	C12	C34	H78	60.0°	90.0°
C11	C12	C34	H79	60.0°	90.0°
C14	C13	C12	C36	126.9°	90.0°
C14	C13	C12	H28	108.4°	90.0°
C14	C13	C36	H28	112.8°	90.0°
C14	C13	C12	C34	89.7°	90.0°
C14	C13	C12	C35	153.2°	90.0°
C14	C13	C36	C37	165.3°	90.0°
C14	C13	C36	H14	44.1°	90.0°
C14	C13	C36	H15	73.4°	90.0°
O	C53	H36	H37	118.5°	90.0°
O	C53	C52	H89	164.7°	90.0°
C12	C13	C36	H28	124.5°	90.0°
C13	C12	C34	C35	126.3°	90.0°
C12	C13	C36	C37	72.0°	90.0°
C13	C12	C35	H11	63.7°	90.0°
C13	C12	C35	H12	56.3°	90.0°
C13	C12	C35	H13	176.3°	90.0°
C12	C13	C36	H14	166.8°	90.0°
C12	C13	C36	H15	49.3°	90.0°
C13	C12	C34	H77	67.8°	90.0°
C13	C12	C34	H78	172.2°	90.0°
C13	C12	C34	H79	52.1°	90.0°
C36	C13	C12	C34	143.4°	90.0°
C36	C13	C12	C35	26.3°	90.0°
C13	C36	C37	H14	121.2°	90.0°
C13	C36	C37	H15	121.2°	90.0°
C13	C36	C37	C38	74.3°	90.0°
C13	C36	H14	H15	116.0°	90.0°
C13	C36	C37	H16	165.0°	90.0°
C13	C36	C37	H17	46.3°	90.0°
C34	C12	C35	H11	59.2°	90.0°
C34	C12	C35	H12	179.2°	90.0°
C34	C12	C35	H13	60.8°	90.0°
C34	C12	C13	H28	18.7°	90.0°
C12	C34	H77	H78	120.0°	90.0°
C12	C34	H77	H79	120.0°	90.0°
C12	C34	H78	H79	120.0°	90.0°
C12	C35	H11	H12	120.0°	90.0°
C12	C35	H11	H13	120.0°	90.0°
C12	C35	H12	H13	120.0°	90.0°
C35	C12	C13	H28	98.3°	90.0°
C35	C12	C34	H77	58.5°	90.0°
C35	C12	C34	H78	61.6°	90.0°
C35	C12	C34	H79	178.4°	90.0°
C36	C37	C38	H16	120.7°	90.0°
C36	C37	C38	H17	120.7°	90.0°
C36	C37	C38	N09	89.1°	90.0°
C36	C37	C38	O06	91.1°	90.0°
C37	C36	H14	H15	116.0°	90.0°
C36	C37	H16	H17	118.0°	90.0°
C37	C36	C13	H28	52.5°	90.0°
C37	C38	N09	O06	179.8°	90.0°
C38	C37	C36	H14	46.9°	90.0°
C38	C37	C36	H15	164.4°	90.0°
C38	C37	H16	H17	117.9°	90.0°
C37	C38	N09	H54	179.8°	90.0°
C37	C38	N09	H55	0.2°	90.0°
N09	C38	C37	H16	31.5°	90.0°
N09	C38	C37	H17	150.2°	90.0°
C38	N09	H54	H55	180.0°	90.0°
O06	C38	C37	H16	148.2°	90.0°
O06	C38	C37	H17	29.6°	90.0°
O06	C38	N09	H54	0.0°	90.0°
O06	C38	N09	H55	180.0°	90.0°
H1	C20	H2	H3	120.0°	90.0°
H4	C25	C24	H70	175.1°	90.0°
H4	C25	C24	H71	66.3°	90.0°
H5	C25	C24	H70	55.7°	90.0°
H5	C25	C24	H71	174.3°	90.0°
H6	C27	H7	H8	120.0°	90.0°
H9	C31	C32	H10	164.2°	90.0°
H9	C31	C08	H63	114.7°	90.0°
H11	C35	H12	H13	120.0°	90.0°
H14	C36	C37	H16	73.7°	90.0°
H14	C36	C37	H17	167.6°	90.0°
H14	C36	C13	H28	68.7°	90.0°
H15	C36	C37	H16	43.8°	90.0°
H15	C36	C37	H17	74.9°	90.0°
H15	C36	C13	H28	173.8°	90.0°
H18	C41	C42	H20	172.8°	90.0°
H18	C41	C42	H21	67.9°	90.0°
H19	C41	C42	H20	55.7°	90.0°
H19	C41	C42	H21	175.0°	90.0°
H25	C46	C47	H27	58.1°	90.0°
H25	C46	N10	H56	141.6°	90.0°
H26	C46	C47	H27	176.9°	90.0°
H26	C46	N10	H56	22.9°	90.0°
H27	C47	C48	H29	59.0°	90.0°
H27	C47	C48	H30	179.0°	90.0°
H27	C47	C48	H31	61.0°	90.0°
H29	C48	H30	H31	120.0°	90.0°
H32	C49	C50	H33	20.6°	90.0°
H33	C50	C51	H88	28.4°	90.0°
H33	C50	O14	H96	57.7°	90.0°
H36	C53	C52	H89	44.3°	90.0°
H36	C53	O	H97	59.5°	90.0°
H37	C53	C52	H89	74.8°	90.0°
H37	C53	O	H97	59.6°	90.0°
H41	C18	C19	H45	166.5°	90.0°
H41	C18	C44	H86	124.8°	90.0°
H41	C18	C44	H87	117.1°	90.0°
H42	C61	H43	H44	120.0°	90.0°
H59	C03	C24	H70	141.9°	90.0°
H59	C03	C24	H71	99.4°	90.0°
H65	C21	H66	H67	120.0°	90.0°
H72	C28	H73	H74	120.0°	90.0°
H77	C34	H78	H79	120.0°	90.0°
H80	C39	H81	H82	120.0°	90.0°
H83	C40	H84	H85	120.0°	90.0°
H88	C51	C52	H89	156.1°	90.0°
H91	C	H92	H93	120.0°	90.0°

Release date:	2012-10-12
Definition date:	2012-07-12
Last modified:	2012-10-12
Release status:	REL
Processing site:	RCSB
Derived from:	4FRG