L0C

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
F1	C2	sing	0.00Å	1.35Å
C2	C3	doub	0.00Å	1.38Å	Aromatic
C2	C7	sing	0.00Å	1.38Å	Aromatic
H35	C3	sing	0.00Å	1.08Å
C3	C4	sing	0.00Å	1.38Å	Aromatic
C4	H36	sing	0.00Å	1.08Å
C4	C5	doub	0.00Å	1.40Å	Aromatic
C6	C5	sing	0.00Å	1.40Å	Aromatic
C5	C8	sing	0.00Å	1.50Å
C7	C6	doub	0.00Å	1.38Å	Aromatic
C6	H37	sing	0.00Å	1.08Å
H38	C7	sing	0.00Å	1.08Å
C8	N10	sing	0.00Å	1.35Å
C8	O9	doub	0.00Å	1.22Å
H39	N10	sing	0.00Å	1.00Å
N10	C11	sing	0.00Å	1.36Å
C11	C16	sing	0.00Å	1.39Å	Aromatic
C11	C12	doub	0.00Å	1.34Å	Aromatic
C12	H40	sing	0.00Å	1.08Å
C12	N13	sing	0.00Å	1.35Å	Aromatic
N15	N13	sing	0.00Å	1.35Å	Aromatic
N13	H14	sing	0.00Å	1.00Å
C16	N15	doub	0.00Å	1.32Å	Aromatic
C17	C16	sing	0.00Å	1.44Å	Aromatic
N18	C17	doub	0.00Å	1.34Å	Aromatic
C17	N33	sing	0.00Å	1.35Å	Aromatic
C19	N18	sing	0.00Å	1.38Å	Aromatic
C20	C19	doub	0.00Å	1.38Å	Aromatic
C19	C32	sing	0.00Å	1.38Å	Aromatic
H41	C20	sing	0.00Å	1.08Å
C21	C20	sing	0.00Å	1.38Å	Aromatic
H42	C21	sing	0.00Å	1.08Å
C21	C22	doub	0.00Å	1.40Å	Aromatic
C23	C22	sing	0.00Å	1.51Å
C22	C31	sing	0.00Å	1.39Å	Aromatic
N24	C23	sing	0.00Å	1.50Å
H43	C23	sing	0.00Å	1.10Å
C23	H44	sing	0.00Å	1.10Å
C30	N24	sing	0.00Å	1.49Å
C26	N24	sing	0.00Å	1.50Å
N24	H25	sing	0.00Å	1.00Å
C27	C26	sing	0.00Å	1.52Å
H45	C26	sing	0.00Å	1.10Å
C26	H46	sing	0.00Å	1.10Å
O28	C27	sing	0.00Å	1.44Å
H47	C27	sing	0.00Å	1.10Å
C27	H48	sing	0.00Å	1.10Å
O28	C29	sing	0.00Å	1.44Å
H49	C29	sing	0.00Å	1.10Å
C29	C30	sing	0.00Å	1.52Å
C29	H50	sing	0.00Å	1.10Å
H52	C30	sing	0.00Å	1.10Å
C30	H51	sing	0.00Å	1.10Å
C31	C32	doub	0.00Å	1.38Å	Aromatic
C31	H53	sing	0.00Å	1.08Å
C32	N33	sing	0.00Å	1.36Å	Aromatic
N33	H34	sing	0.00Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
F1	C2	C3	119.1°	90.0°
F1	C2	C7	119.3°	90.0°
C3	C2	C7	121.6°	90.0°
C2	C3	H35	120.4°	90.0°
C2	C3	C4	119.2°	90.0°
C2	C7	C6	119.4°	90.0°
C2	C7	H38	120.3°	90.0°
H35	C3	C4	120.4°	90.0°
C3	C4	H36	119.9°	90.0°
C3	C4	C5	120.3°	90.0°
H36	C4	C5	119.9°	90.0°
C4	C5	C6	119.5°	90.0°
C4	C5	C8	120.0°	90.0°
C6	C5	C8	120.5°	90.0°
C5	C6	C7	120.0°	90.0°
C5	C6	H37	120.0°	90.0°
C5	C8	N10	115.7°	90.0°
C5	C8	O9	121.2°	90.0°
C7	C6	H37	120.0°	90.0°
C6	C7	H38	120.3°	90.0°
N10	C8	O9	123.0°	90.0°
C8	N10	H39	116.5°	90.0°
C8	N10	C11	127.0°	90.0°
H39	N10	C11	116.5°	90.0°
N10	C11	C16	125.0°	90.0°
N10	C11	C12	129.2°	90.0°
C16	C11	C12	105.8°	90.0°
C11	C16	N15	110.9°	90.0°
C11	C16	C17	129.6°	90.0°
C11	C12	H40	126.5°	90.0°
C11	C12	N13	107.0°	90.0°
H40	C12	N13	126.5°	90.0°
C12	N13	N15	111.7°	90.0°
C12	N13	H14	124.1°	90.0°
N15	N13	H14	124.2°	90.0°
N13	N15	C16	104.6°	90.0°
N15	C16	C17	119.5°	90.0°
C16	C17	N18	126.4°	90.0°
C16	C17	N33	124.6°	90.0°
N18	C17	N33	109.0°	90.0°
C17	N18	C19	107.3°	90.0°
C17	N33	C32	109.2°	90.0°
C17	N33	H34	125.4°	90.0°
N18	C19	C20	131.9°	90.0°
N18	C19	C32	108.3°	90.0°
C20	C19	C32	119.9°	90.0°
C19	C20	H41	119.9°	90.0°
C19	C20	C21	120.2°	90.0°
C19	C32	C31	120.0°	90.0°
C19	C32	N33	106.2°	90.0°
H41	C20	C21	119.9°	90.0°
C20	C21	H42	119.7°	90.0°
C20	C21	C22	120.5°	90.0°
H42	C21	C22	119.7°	90.0°
C21	C22	C23	121.5°	90.0°
C21	C22	C31	118.3°	90.0°
C23	C22	C31	120.2°	90.0°
C22	C23	N24	114.9°	90.0°
C22	C23	H43	107.7°	90.0°
C22	C23	H44	106.4°	90.0°
C22	C31	C32	121.1°	90.0°
C22	C31	H53	119.5°	90.0°
N24	C23	H43	107.7°	90.0°
N24	C23	H44	106.5°	90.0°
C23	N24	C30	112.3°	90.0°
C23	N24	C26	111.2°	90.0°
C23	N24	H25	106.4°	90.0°
H43	C23	H44	113.8°	90.0°
C30	N24	C26	109.5°	90.0°
C30	N24	H25	108.1°	90.0°
N24	C30	C29	109.4°	90.0°
N24	C30	H52	109.5°	90.0°
N24	C30	H51	109.5°	90.0°
C26	N24	H25	109.3°	90.0°
N24	C26	C27	110.0°	90.0°
N24	C26	H45	109.3°	90.0°
N24	C26	H46	109.2°	90.0°
C27	C26	H45	109.3°	90.0°
C27	C26	H46	109.2°	90.0°
C26	C27	O28	111.1°	90.0°
C26	C27	H47	108.9°	90.0°
C26	C27	H48	108.5°	90.0°
H45	C26	H46	109.9°	90.0°
O28	C27	H47	108.9°	90.0°
O28	C27	H48	108.6°	90.0°
C27	O28	C29	110.5°	90.0°
H47	C27	H48	110.8°	90.0°
O28	C29	H49	108.9°	90.0°
O28	C29	C30	111.3°	90.0°
O28	C29	H50	108.5°	90.0°
H49	C29	C30	108.9°	90.0°
H49	C29	H50	110.9°	90.0°
C30	C29	H50	108.5°	90.0°
C29	C30	H52	109.5°	90.0°
C29	C30	H51	109.5°	90.0°
H52	C30	H51	109.5°	90.0°
C32	C31	H53	119.4°	90.0°
C31	C32	N33	133.8°	90.0°
C32	N33	H34	125.4°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
F1	C2	C3	C7	180.0°	90.0°
F1	C2	C3	H35	0.0°	90.0°
F1	C2	C3	C4	180.0°	90.0°
F1	C2	C7	C6	180.0°	90.0°
F1	C2	C7	H38	0.0°	90.0°
C2	C3	H35	C4	180.0°	90.0°
C2	C3	C4	H36	180.0°	90.0°
C2	C3	C4	C5	0.0°	90.0°
C3	C2	C7	C6	0.0°	90.0°
C3	C2	C7	H38	180.0°	90.0°
C7	C2	C3	H35	179.9°	90.0°
C7	C2	C3	C4	0.1°	90.0°
C2	C7	C6	C5	0.1°	90.0°
C2	C7	C6	H38	180.0°	90.0°
C2	C7	C6	H37	179.9°	90.0°
H35	C3	C4	H36	0.1°	90.0°
H35	C3	C4	C5	180.0°	90.0°
C3	C4	H36	C5	180.0°	90.0°
C3	C4	C5	C6	0.1°	90.0°
C3	C4	C5	C8	179.8°	90.0°
H36	C4	C5	C6	179.9°	90.0°
H36	C4	C5	C8	0.2°	90.0°
C4	C5	C6	C8	179.7°	90.0°
C4	C5	C6	C7	0.1°	90.0°
C4	C5	C6	H37	179.9°	90.0°
C4	C5	C8	N10	7.5°	90.0°
C4	C5	C8	O9	172.3°	90.0°
C5	C6	C7	H37	180.0°	90.0°
C5	C6	C7	H38	179.9°	90.0°
C6	C5	C8	N10	172.8°	90.0°
C6	C5	C8	O9	7.4°	90.0°
C8	C5	C6	C7	179.8°	90.0°
C8	C5	C6	H37	0.2°	90.0°
C5	C8	N10	O9	179.7°	90.0°
C5	C8	N10	H39	9.0°	90.0°
C5	C8	N10	C11	171.0°	90.0°
H37	C6	C7	H38	0.1°	90.0°
C8	N10	H39	C11	180.0°	90.0°
C8	N10	C11	C16	157.3°	90.0°
C8	N10	C11	C12	23.3°	90.0°
O9	C8	N10	H39	171.3°	90.0°
O9	C8	N10	C11	8.8°	90.0°
H39	N10	C11	C16	22.7°	90.0°
H39	N10	C11	C12	156.7°	90.0°
N10	C11	C16	C12	179.5°	90.0°
N10	C11	C12	H40	0.2°	90.0°
N10	C11	C12	N13	179.8°	90.0°
N10	C11	C16	N15	180.0°	90.0°
N10	C11	C16	C17	1.0°	90.0°
C16	C11	C12	H40	179.7°	90.0°
C16	C11	C12	N13	0.3°	90.0°
C11	C16	N15	N13	0.4°	90.0°
C11	C16	N15	C17	179.1°	90.0°
C11	C16	C17	N18	13.6°	90.0°
C11	C16	C17	N33	165.6°	90.0°
C11	C12	H40	N13	180.0°	90.0°
C11	C12	N13	N15	0.0°	90.0°
C11	C12	N13	H14	180.0°	90.0°
C12	C11	C16	N15	0.4°	90.0°
C12	C11	C16	C17	179.4°	90.0°
H40	C12	N13	N15	180.0°	90.0°
H40	C12	N13	H14	0.0°	90.0°
C12	N13	N15	H14	180.0°	90.0°
C12	N13	N15	C16	0.2°	90.0°
N13	N15	C16	C17	179.5°	90.0°
H14	N13	N15	C16	179.8°	90.0°
N15	C16	C17	N18	167.5°	90.0°
N15	C16	C17	N33	13.3°	90.0°
C16	C17	N18	N33	179.3°	90.0°
C16	C17	N18	C19	179.5°	90.0°
C16	C17	N33	C32	179.6°	90.0°
C16	C17	N33	H34	0.4°	90.0°
C17	N18	C19	C20	179.8°	90.0°
C17	N18	C19	C32	0.1°	90.0°
N18	C17	N33	C32	0.3°	90.0°
N18	C17	N33	H34	179.7°	90.0°
N33	C17	N18	C19	0.2°	90.0°
C17	N33	C32	C19	0.2°	90.0°
C17	N33	C32	C31	179.9°	90.0°
C17	N33	C32	H34	180.0°	90.0°
N18	C19	C20	C32	179.9°	90.0°
N18	C19	C20	H41	0.1°	90.0°
N18	C19	C20	C21	179.9°	90.0°
N18	C19	C32	C31	180.0°	90.0°
N18	C19	C32	N33	0.1°	90.0°
C19	C20	H41	C21	180.0°	90.0°
C19	C20	C21	H42	179.9°	90.0°
C19	C20	C21	C22	0.1°	90.0°
C20	C19	C32	C31	0.1°	90.0°
C20	C19	C32	N33	180.0°	90.0°
C32	C19	C20	H41	180.0°	90.0°
C32	C19	C20	C21	0.0°	90.0°
C19	C32	C31	C22	0.3°	90.0°
C19	C32	C31	N33	179.9°	90.0°
C19	C32	C31	H53	179.7°	90.0°
C19	C32	N33	H34	179.8°	90.0°
H41	C20	C21	H42	0.1°	90.0°
H41	C20	C21	C22	179.9°	90.0°
C20	C21	H42	C22	180.0°	90.0°
C20	C21	C22	C23	179.3°	90.0°
C20	C21	C22	C31	0.3°	90.0°
H42	C21	C22	C23	0.7°	90.0°
H42	C21	C22	C31	179.7°	90.0°
C21	C22	C23	C31	179.0°	90.0°
C21	C22	C23	N24	57.2°	90.0°
C21	C22	C23	H43	62.8°	90.0°
C21	C22	C23	H44	174.8°	90.0°
C21	C22	C31	C32	0.4°	90.0°
C21	C22	C31	H53	179.6°	90.0°
C22	C23	N24	H43	120.0°	90.0°
C22	C23	N24	H44	117.6°	90.0°
C22	C23	H43	H44	117.8°	90.0°
C22	C23	N24	C30	48.7°	90.0°
C22	C23	N24	C26	171.7°	90.0°
C22	C23	N24	H25	69.4°	90.0°
C23	C22	C31	C32	179.4°	90.0°
C23	C22	C31	H53	0.6°	90.0°
C31	C22	C23	N24	123.8°	90.0°
C31	C22	C23	H43	116.2°	90.0°
C31	C22	C23	H44	6.2°	90.0°
C22	C31	C32	H53	180.0°	90.0°
C22	C31	C32	N33	179.8°	90.0°
N24	C23	H43	H44	117.8°	90.0°
C23	N24	C30	C26	124.0°	90.0°
C23	N24	C30	H25	117.0°	90.0°
C23	N24	C26	H25	117.1°	90.0°
C23	N24	C26	C27	178.9°	90.0°
C23	N24	C26	H45	61.1°	90.0°
C23	N24	C26	H46	59.1°	90.0°
C23	N24	C30	C29	179.3°	90.0°
C23	N24	C30	H52	59.3°	90.0°
C23	N24	C30	H51	60.6°	90.0°
H43	C23	N24	C30	71.3°	90.0°
H43	C23	N24	C26	51.7°	90.0°
H43	C23	N24	H25	170.6°	90.0°
H44	C23	N24	C30	166.3°	90.0°
H44	C23	N24	C26	70.7°	90.0°
H44	C23	N24	H25	48.2°	90.0°
C30	N24	C26	H25	118.3°	90.0°
C30	N24	C26	C27	56.5°	90.0°
C30	N24	C26	H45	63.5°	90.0°
C30	N24	C26	H46	176.3°	90.0°
N24	C30	C29	O28	58.5°	90.0°
N24	C30	C29	H49	178.4°	90.0°
N24	C30	C29	H52	120.0°	90.0°
N24	C30	C29	H51	120.0°	90.0°
N24	C30	C29	H50	60.8°	90.0°
N24	C30	H52	H51	120.0°	90.0°
N24	C26	C27	H45	120.0°	90.0°
N24	C26	C27	H46	119.8°	90.0°
N24	C26	H45	H46	119.8°	90.0°
N24	C26	C27	O28	57.7°	90.0°
N24	C26	C27	H47	177.7°	90.0°
N24	C26	C27	H48	61.7°	90.0°
C26	N24	C30	C29	56.7°	90.0°
C26	N24	C30	H52	176.7°	90.0°
C26	N24	C30	H51	63.3°	90.0°
H25	N24	C26	C27	61.8°	90.0°
H25	N24	C26	H45	178.2°	90.0°
H25	N24	C26	H46	58.0°	90.0°
H25	N24	C30	C29	62.3°	90.0°
H25	N24	C30	H52	57.7°	90.0°
H25	N24	C30	H51	177.7°	90.0°
C27	C26	H45	H46	119.8°	90.0°
C26	C27	O28	H47	120.0°	90.0°
C26	C27	O28	H48	119.3°	90.0°
C26	C27	H47	H48	119.3°	90.0°
C26	C27	O28	C29	58.7°	90.0°
H45	C26	C27	O28	62.3°	90.0°
H45	C26	C27	H47	57.7°	90.0°
H45	C26	C27	H48	178.3°	90.0°
H46	C26	C27	O28	177.4°	90.0°
H46	C26	C27	H47	62.6°	90.0°
H46	C26	C27	H48	58.1°	90.0°
O28	C27	H47	H48	119.3°	90.0°
C27	O28	C29	H49	179.3°	90.0°
C27	O28	C29	C30	59.3°	90.0°
C27	O28	C29	H50	59.9°	90.0°
H47	C27	O28	C29	178.7°	90.0°
H48	C27	O28	C29	60.6°	90.0°
O28	C29	H49	C30	121.5°	90.0°
O28	C29	H49	H50	119.3°	90.0°
O28	C29	C30	H50	119.2°	90.0°
O28	C29	C30	H52	178.4°	90.0°
O28	C29	C30	H51	61.6°	90.0°
H49	C29	C30	H50	120.8°	90.0°
H49	C29	C30	H52	61.6°	90.0°
H49	C29	C30	H51	58.4°	90.0°
C29	C30	H52	H51	120.0°	90.0°
H50	C29	C30	H52	59.2°	90.0°
H50	C29	C30	H51	179.2°	90.0°
C31	C32	N33	H34	0.1°	90.0°
H53	C31	C32	N33	0.2°	90.0°

Definition date:	2008-10-17
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	2W1C