L0E

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C2	O1	doub	0.00Å	1.21Å
N28	C2	sing	0.00Å	1.37Å
C2	N3	sing	0.00Å	1.36Å
H35	N3	sing	0.00Å	1.00Å
N3	C4	sing	0.00Å	1.38Å
C9	C4	sing	0.00Å	1.38Å	Aromatic
C4	C5	doub	0.00Å	1.35Å	Aromatic
C5	H36	sing	0.00Å	1.08Å
C5	N6	sing	0.00Å	1.34Å	Aromatic
N8	N6	sing	0.00Å	1.35Å	Aromatic
N6	H7	sing	0.00Å	1.00Å
C9	N8	doub	0.00Å	1.31Å	Aromatic
C10	C9	sing	0.00Å	1.43Å	Aromatic
N11	C10	doub	0.00Å	1.29Å	Aromatic
C10	N26	sing	0.00Å	1.34Å	Aromatic
C12	N11	sing	0.00Å	1.35Å	Aromatic
C13	C12	doub	0.00Å	1.38Å	Aromatic
C12	C25	sing	0.00Å	1.39Å	Aromatic
C14	C13	sing	0.00Å	1.39Å	Aromatic
H37	C13	sing	0.00Å	1.08Å
C15	C14	sing	0.00Å	1.51Å
C14	C23	doub	0.00Å	1.40Å	Aromatic
N16	C15	sing	0.00Å	1.50Å
H38	C15	sing	0.00Å	1.10Å
H39	C15	sing	0.00Å	1.10Å
H17	N16	sing	0.00Å	1.00Å
N16	C18	sing	0.00Å	1.49Å
N16	C22	sing	0.00Å	1.49Å
C19	C18	sing	0.00Å	1.52Å
H41	C18	sing	0.00Å	1.10Å
C18	H40	sing	0.00Å	1.10Å
H43	C19	sing	0.00Å	1.10Å
C19	H42	sing	0.00Å	1.10Å
C19	O20	sing	0.00Å	1.44Å
C21	O20	sing	0.00Å	1.43Å
H45	C21	sing	0.00Å	1.10Å
C21	H44	sing	0.00Å	1.10Å
C21	C22	sing	0.00Å	1.52Å
C22	H46	sing	0.00Å	1.10Å
C22	H47	sing	0.00Å	1.10Å
H48	C23	sing	0.00Å	1.08Å
C23	C24	sing	0.00Å	1.38Å	Aromatic
C24	H49	sing	0.00Å	1.08Å
C24	C25	doub	0.00Å	1.38Å	Aromatic
C25	N26	sing	0.00Å	1.36Å	Aromatic
N26	H27	sing	0.00Å	1.00Å
C29	N28	sing	0.00Å	1.43Å
H50	N28	sing	0.00Å	1.00Å
C30	C29	doub	0.00Å	1.38Å	Aromatic
C34	C29	sing	0.00Å	1.39Å	Aromatic
C31	C30	sing	0.00Å	1.37Å	Aromatic
C30	H51	sing	0.00Å	1.08Å
H52	C31	sing	0.00Å	1.08Å
C32	C31	doub	0.00Å	1.37Å	Aromatic
H53	C32	sing	0.00Å	1.08Å
C32	C33	sing	0.00Å	1.37Å	Aromatic
H54	C33	sing	0.00Å	1.08Å
C33	C34	doub	0.00Å	1.37Å	Aromatic
C34	H55	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C2	N28	119.7°	90.0°
O1	C2	N3	123.1°	90.0°
N28	C2	N3	117.2°	90.0°
C2	N28	C29	127.9°	90.0°
C2	N28	H50	116.0°	90.0°
C2	N3	H35	116.3°	90.0°
C2	N3	C4	127.4°	90.0°
H35	N3	C4	116.3°	90.0°
N3	C4	C9	125.2°	90.0°
N3	C4	C5	129.8°	90.0°
C9	C4	C5	105.0°	90.0°
C4	C9	N8	112.1°	90.0°
C4	C9	C10	129.6°	90.0°
C4	C5	H36	126.5°	90.0°
C4	C5	N6	106.9°	90.0°
H36	C5	N6	126.6°	90.0°
C5	N6	N8	111.8°	90.0°
C5	N6	H7	124.1°	90.0°
N8	N6	H7	124.1°	90.0°
N6	N8	C9	104.3°	90.0°
N8	C9	C10	118.3°	90.0°
C9	C10	N11	125.5°	90.0°
C9	C10	N26	124.9°	90.0°
N11	C10	N26	109.5°	90.0°
C10	N11	C12	108.3°	90.0°
C10	N26	C25	109.1°	90.0°
C10	N26	H27	125.4°	90.0°
N11	C12	C13	131.4°	90.0°
N11	C12	C25	108.8°	90.0°
C13	C12	C25	119.8°	90.0°
C12	C13	C14	120.8°	90.0°
C12	C13	H37	119.6°	90.0°
C12	C25	C24	120.0°	90.0°
C12	C25	N26	104.3°	90.0°
C14	C13	H37	119.6°	90.0°
C13	C14	C15	120.4°	90.0°
C13	C14	C23	118.7°	90.0°
C15	C14	C23	120.9°	90.0°
C14	C15	N16	111.8°	90.0°
C14	C15	H38	108.7°	90.0°
C14	C15	H39	108.2°	90.0°
C14	C23	H48	119.8°	90.0°
C14	C23	C24	120.4°	90.0°
N16	C15	H38	108.7°	90.0°
N16	C15	H39	108.2°	90.0°
C15	N16	H17	106.9°	90.0°
C15	N16	C18	111.1°	90.0°
C15	N16	C22	111.3°	90.0°
H38	C15	H39	111.3°	90.0°
H17	N16	C18	109.4°	90.0°
H17	N16	C22	109.1°	90.0°
C18	N16	C22	109.0°	90.0°
N16	C18	C19	109.2°	90.0°
N16	C18	H41	109.6°	90.0°
N16	C18	H40	109.6°	90.0°
N16	C22	C21	109.1°	90.0°
N16	C22	H46	109.6°	90.0°
N16	C22	H47	109.7°	90.0°
C19	C18	H41	109.6°	90.0°
C19	C18	H40	109.6°	90.0°
C18	C19	H43	108.8°	90.0°
C18	C19	H42	108.3°	90.0°
C18	C19	O20	111.5°	90.0°
H41	C18	H40	109.3°	90.0°
H43	C19	H42	111.1°	90.0°
H43	C19	O20	108.8°	90.0°
H42	C19	O20	108.3°	90.0°
C19	O20	C21	110.4°	90.0°
O20	C21	H45	109.1°	90.0°
O20	C21	H44	108.8°	90.0°
O20	C21	C22	110.8°	90.0°
H45	C21	H44	110.5°	90.0°
H45	C21	C22	109.0°	90.0°
H44	C21	C22	108.8°	90.0°
C21	C22	H46	109.6°	90.0°
C21	C22	H47	109.7°	90.0°
H46	C22	H47	109.1°	90.0°
H48	C23	C24	119.8°	90.0°
C23	C24	H49	119.9°	90.0°
C23	C24	C25	120.2°	90.0°
H49	C24	C25	119.9°	90.0°
C24	C25	N26	135.7°	90.0°
C25	N26	H27	125.4°	90.0°
C29	N28	H50	116.1°	90.0°
N28	C29	C30	120.4°	90.0°
N28	C29	C34	120.6°	90.0°
C30	C29	C34	118.9°	90.0°
C29	C30	C31	120.2°	90.0°
C29	C30	H51	119.9°	90.0°
C29	C34	C33	120.2°	90.0°
C29	C34	H55	119.9°	90.0°
C31	C30	H51	119.9°	90.0°
C30	C31	H52	119.9°	90.0°
C30	C31	C32	120.2°	90.0°
H52	C31	C32	119.9°	90.0°
C31	C32	H53	119.9°	90.0°
C31	C32	C33	120.2°	90.0°
H53	C32	C33	119.9°	90.0°
C32	C33	H54	119.9°	90.0°
C32	C33	C34	120.2°	90.0°
H54	C33	C34	119.9°	90.0°
C33	C34	H55	119.9°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C2	N28	N3	180.0°	90.0°
O1	C2	N3	H35	177.6°	90.0°
O1	C2	N3	C4	2.4°	90.0°
O1	C2	N28	C29	179.2°	90.0°
O1	C2	N28	H50	0.8°	90.0°
N28	C2	N3	H35	2.4°	90.0°
N28	C2	N3	C4	177.6°	90.0°
C2	N28	C29	H50	180.0°	90.0°
C2	N28	C29	C30	127.0°	90.0°
C2	N28	C29	C34	53.1°	90.0°
C2	N3	H35	C4	180.0°	90.0°
C2	N3	C4	C9	165.8°	90.0°
C2	N3	C4	C5	14.4°	90.0°
N3	C2	N28	C29	0.8°	90.0°
N3	C2	N28	H50	179.2°	90.0°
H35	N3	C4	C9	14.2°	90.0°
H35	N3	C4	C5	165.6°	90.0°
N3	C4	C9	C5	179.8°	90.0°
N3	C4	C5	H36	0.1°	90.0°
N3	C4	C5	N6	179.9°	90.0°
N3	C4	C9	N8	179.8°	90.0°
N3	C4	C9	C10	1.1°	90.0°
C9	C4	C5	H36	179.7°	90.0°
C9	C4	C5	N6	0.3°	90.0°
C4	C9	N8	N6	0.4°	90.0°
C4	C9	N8	C10	178.9°	90.0°
C4	C9	C10	N11	16.8°	90.0°
C4	C9	C10	N26	164.7°	90.0°
C4	C5	H36	N6	180.0°	90.0°
C4	C5	N6	N8	0.1°	90.0°
C4	C5	N6	H7	180.0°	90.0°
C5	C4	C9	N8	0.4°	90.0°
C5	C4	C9	C10	179.1°	90.0°
H36	C5	N6	N8	179.9°	90.0°
H36	C5	N6	H7	0.0°	90.0°
C5	N6	N8	H7	180.0°	90.0°
C5	N6	N8	C9	0.2°	90.0°
N6	N8	C9	C10	179.2°	90.0°
H7	N6	N8	C9	179.8°	90.0°
N8	C9	C10	N11	161.8°	90.0°
N8	C9	C10	N26	16.7°	90.0°
C9	C10	N11	N26	178.7°	90.0°
C9	C10	N11	C12	179.2°	90.0°
C9	C10	N26	C25	179.2°	90.0°
C9	C10	N26	H27	0.8°	90.0°
C10	N11	C12	C13	179.6°	90.0°
C10	N11	C12	C25	0.3°	90.0°
N11	C10	N26	C25	0.5°	90.0°
N11	C10	N26	H27	179.5°	90.0°
N26	C10	N11	C12	0.5°	90.0°
C10	N26	C25	C12	0.3°	90.0°
C10	N26	C25	C24	179.8°	90.0°
C10	N26	C25	H27	180.0°	90.0°
N11	C12	C13	C25	180.0°	90.0°
N11	C12	C13	C14	179.8°	90.0°
N11	C12	C13	H37	0.2°	90.0°
N11	C12	C25	C24	179.9°	90.0°
N11	C12	C25	N26	0.0°	90.0°
C12	C13	C14	H37	180.0°	90.0°
C12	C13	C14	C15	179.8°	90.0°
C12	C13	C14	C23	0.3°	90.0°
C13	C12	C25	C24	0.1°	90.0°
C13	C12	C25	N26	179.9°	90.0°
C25	C12	C13	C14	0.2°	90.0°
C25	C12	C13	H37	179.8°	90.0°
C12	C25	C24	C23	0.1°	90.0°
C12	C25	C24	H49	179.9°	90.0°
C12	C25	C24	N26	179.9°	90.0°
C12	C25	N26	H27	179.7°	90.0°
C13	C14	C15	C23	179.4°	90.0°
C13	C14	C15	N16	98.3°	90.0°
C13	C14	C15	H38	21.6°	90.0°
C13	C14	C15	H39	142.6°	90.0°
C13	C14	C23	H48	179.6°	90.0°
C13	C14	C23	C24	0.4°	90.0°
H37	C13	C14	C15	0.2°	90.0°
H37	C13	C14	C23	179.7°	90.0°
C14	C15	N16	H38	120.0°	90.0°
C14	C15	N16	H39	119.0°	90.0°
C14	C15	H38	H39	119.1°	90.0°
C14	C15	N16	H17	171.4°	90.0°
C14	C15	N16	C18	69.4°	90.0°
C14	C15	N16	C22	52.3°	90.0°
C15	C14	C23	H48	0.2°	90.0°
C15	C14	C23	C24	179.8°	90.0°
C23	C14	C15	N16	81.1°	90.0°
C23	C14	C15	H38	158.9°	90.0°
C23	C14	C15	H39	37.9°	90.0°
C14	C23	H48	C24	180.0°	90.0°
C14	C23	C24	H49	179.7°	90.0°
C14	C23	C24	C25	0.3°	90.0°
N16	C15	H38	H39	119.1°	90.0°
C15	N16	H17	C18	120.4°	90.0°
C15	N16	H17	C22	120.5°	90.0°
C15	N16	C18	C22	123.0°	90.0°
C15	N16	C18	C19	179.1°	90.0°
C15	N16	C18	H41	60.9°	90.0°
C15	N16	C18	H40	59.0°	90.0°
C15	N16	C22	C21	178.1°	90.0°
C15	N16	C22	H46	58.1°	90.0°
C15	N16	C22	H47	61.8°	90.0°
H38	C15	N16	H17	68.7°	90.0°
H38	C15	N16	C18	50.6°	90.0°
H38	C15	N16	C22	172.3°	90.0°
H39	C15	N16	H17	52.3°	90.0°
H39	C15	N16	C18	171.6°	90.0°
H39	C15	N16	C22	66.7°	90.0°
H17	N16	C18	C22	119.2°	90.0°
H17	N16	C18	C19	61.3°	90.0°
H17	N16	C18	H41	178.7°	90.0°
H17	N16	C18	H40	58.8°	90.0°
H17	N16	C22	C21	60.3°	90.0°
H17	N16	C22	H46	59.7°	90.0°
H17	N16	C22	H47	179.5°	90.0°
N16	C18	C19	H41	120.0°	90.0°
N16	C18	C19	H40	120.1°	90.0°
N16	C18	H41	H40	120.1°	90.0°
N16	C18	C19	H43	177.8°	90.0°
N16	C18	C19	H42	61.3°	90.0°
N16	C18	C19	O20	57.8°	90.0°
C18	N16	C22	C21	59.0°	90.0°
C18	N16	C22	H46	179.1°	90.0°
C18	N16	C22	H47	61.1°	90.0°
C22	N16	C18	C19	57.9°	90.0°
C22	N16	C18	H41	62.1°	90.0°
C22	N16	C18	H40	178.0°	90.0°
N16	C22	C21	O20	60.0°	90.0°
N16	C22	C21	H45	180.0°	90.0°
N16	C22	C21	H44	59.5°	90.0°
N16	C22	C21	H46	120.0°	90.0°
N16	C22	C21	H47	120.2°	90.0°
N16	C22	H46	H47	120.2°	90.0°
C19	C18	H41	H40	120.1°	90.0°
C18	C19	H43	H42	119.2°	90.0°
C18	C19	H43	O20	121.7°	90.0°
C18	C19	H42	O20	121.1°	90.0°
C18	C19	O20	C21	58.3°	90.0°
H41	C18	C19	H43	57.8°	90.0°
H41	C18	C19	H42	178.7°	90.0°
H41	C18	C19	O20	62.2°	90.0°
H40	C18	C19	H43	62.1°	90.0°
H40	C18	C19	H42	58.8°	90.0°
H40	C18	C19	O20	177.9°	90.0°
H43	C19	H42	O20	119.4°	90.0°
H43	C19	O20	C21	178.3°	90.0°
H42	C19	O20	C21	60.8°	90.0°
C19	O20	C21	H45	179.1°	90.0°
C19	O20	C21	H44	60.3°	90.0°
C19	O20	C21	C22	59.1°	90.0°
O20	C21	H45	H44	119.5°	90.0°
O20	C21	H45	C22	121.1°	90.0°
O20	C21	H44	C22	120.7°	90.0°
O20	C21	C22	H46	180.0°	90.0°
O20	C21	C22	H47	60.2°	90.0°
H45	C21	H44	C22	119.6°	90.0°
H45	C21	C22	H46	60.0°	90.0°
H45	C21	C22	H47	59.8°	90.0°
H44	C21	C22	H46	60.5°	90.0°
H44	C21	C22	H47	179.7°	90.0°
C21	C22	H46	H47	120.1°	90.0°
H48	C23	C24	H49	0.2°	90.0°
H48	C23	C24	C25	179.7°	90.0°
C23	C24	H49	C25	180.0°	90.0°
C23	C24	C25	N26	179.9°	90.0°
H49	C24	C25	N26	0.1°	90.0°
C24	C25	N26	H27	0.2°	90.0°
N28	C29	C30	C34	179.9°	90.0°
N28	C29	C30	C31	179.9°	90.0°
N28	C29	C30	H51	0.1°	90.0°
N28	C29	C34	C33	179.9°	90.0°
N28	C29	C34	H55	0.1°	90.0°
H50	N28	C29	C30	53.0°	90.0°
H50	N28	C29	C34	126.9°	90.0°
C29	C30	C31	H51	180.0°	90.0°
C29	C30	C31	H52	179.9°	90.0°
C29	C30	C31	C32	0.1°	90.0°
C30	C29	C34	C33	0.2°	90.0°
C30	C29	C34	H55	179.8°	90.0°
C34	C29	C30	C31	0.2°	90.0°
C34	C29	C30	H51	179.8°	90.0°
C29	C34	C33	C32	0.1°	90.0°
C29	C34	C33	H54	179.9°	90.0°
C29	C34	C33	H55	180.0°	90.0°
C30	C31	H52	C32	180.0°	90.0°
C30	C31	C32	H53	179.9°	90.0°
C30	C31	C32	C33	0.1°	90.0°
H51	C30	C31	H52	0.1°	90.0°
H51	C30	C31	C32	179.9°	90.0°
H52	C31	C32	H53	0.0°	90.0°
H52	C31	C32	C33	180.0°	90.0°
C31	C32	H53	C33	180.0°	90.0°
C31	C32	C33	H54	179.9°	90.0°
C31	C32	C33	C34	0.0°	90.0°
H53	C32	C33	H54	0.1°	90.0°
H53	C32	C33	C34	179.9°	90.0°
C32	C33	H54	C34	180.0°	90.0°
C32	C33	C34	H55	179.9°	90.0°
H54	C33	C34	H55	0.1°	90.0°

Definition date:	2008-10-17
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	2W1E