A4L

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O27	C26	doub	1.23Å	1.19Å
C26	C28	sing	1.49Å	1.50Å
C26	N25	sing	1.37Å	1.34Å
C28	H281	sing	1.10Å	1.10Å
C28	H282	sing	1.10Å	1.10Å
C28	H283	sing	1.10Å	1.10Å
N25	C23	sing	1.46Å	1.46Å
N25	H1	sing	1.01Å	1.00Å
C23	C24	sing	1.53Å	1.53Å
C23	C22	sing	1.54Å	1.53Å
C23	H23	sing	1.10Å	1.10Å
C24	N5	sing	1.39Å	21.24Å
C24	O4	doub	1.23Å	21.24Å
C22	C21	sing	1.53Å	1.52Å
C22	H221	sing	1.10Å	1.10Å
C22	H222	sing	1.10Å	1.10Å
C21	C20	sing	1.53Å	1.54Å
C21	H211	sing	1.10Å	1.10Å
C21	H212	sing	1.10Å	1.10Å
C20	C19	sing	1.53Å	1.53Å
C20	H201	sing	1.10Å	1.10Å
C20	H202	sing	1.10Å	1.10Å
C19	N18	sing	1.46Å	1.46Å
C19	H191	sing	1.10Å	1.10Å
C19	H192	sing	1.10Å	1.10Å
N18	C10	sing	1.38Å	1.39Å
N18	H18	sing	1.01Å	1.00Å
C10	C5	sing	1.42Å	1.43Å	Aromatic
C10	C9	doub	1.42Å	1.42Å	Aromatic
C5	C4	doub	1.40Å	1.38Å	Aromatic
C5	C6	sing	1.41Å	1.50Å	Aromatic
C4	C3	sing	1.40Å	1.39Å	Aromatic
C4	H4	sing	1.09Å	1.08Å
C3	C2	doub	1.39Å	1.37Å	Aromatic
C3	H3	sing	1.09Å	1.08Å
C2	CL15	sing	1.72Å	1.80Å
C2	C1	sing	1.39Å	1.39Å	Aromatic
C9	C14	sing	1.40Å	1.41Å	Aromatic
C9	C8	sing	1.41Å	1.50Å	Aromatic
C14	C13	doub	1.40Å	1.40Å	Aromatic
C14	H14	sing	1.09Å	1.08Å
C13	O16	sing	1.36Å	1.38Å
C13	C12	sing	1.39Å	1.39Å	Aromatic
O16	C17	sing	1.43Å	1.43Å
C17	H171	sing	1.09Å	1.10Å
C17	H172	sing	1.09Å	1.10Å
C17	H173	sing	1.09Å	1.10Å
C12	C11	doub	1.39Å	1.39Å	Aromatic
C12	H12	sing	1.09Å	1.08Å
C11	C8	sing	1.40Å	1.39Å	Aromatic
C11	H11	sing	1.09Å	1.08Å
C8	N7	doub	1.35Å	1.34Å	Aromatic
N7	C6	sing	1.35Å	1.33Å	Aromatic
N7	HN7	sing	1.02Å	1.00Å
C6	C1	doub	1.40Å	1.39Å	Aromatic
C1	H2	sing	1.09Å	1.08Å
N1	C7	sing	1.48Å	0.00Å
N1	HN11	sing	0.99Å	0.00Å
N1	HN12	sing	0.99Å	0.00Å
C7	C15	sing	1.53Å	0.00Å
C7	H71	sing	1.09Å	0.00Å
C7	H72	sing	1.09Å	0.00Å
C15	C16	sing	1.53Å	0.00Å
C15	H151	sing	1.10Å	0.00Å
C15	H152	sing	1.10Å	0.00Å
C16	C18	sing	1.53Å	0.00Å
C16	H161	sing	1.10Å	0.00Å
C16	H162	sing	1.10Å	0.00Å
C18	C25	sing	1.53Å	0.00Å
C18	H181	sing	1.10Å	0.00Å
C18	H182	sing	1.10Å	0.00Å
C25	N2	sing	1.46Å	0.00Å
C25	C46	sing	1.51Å	0.00Å
C25	H25	sing	1.10Å	0.00Å
N2	N3	sing	1.43Å	0.00Å
N2	HN2	sing	1.02Å	0.00Å
N3	C27	sing	1.46Å	0.00Å
N3	HN3	sing	1.02Å	0.00Å
C27	C29	sing	1.53Å	0.00Å
C27	C42	sing	1.54Å	0.00Å
C27	H27	sing	1.10Å	0.00Å
C29	O1	doub	1.23Å	0.00Å
C29	N4	sing	1.39Å	0.00Å
N4	C30	sing	1.44Å	0.00Å
N4	HN4	sing	1.02Å	0.00Å
C30	C31	sing	1.52Å	0.00Å
C30	C38	sing	1.53Å	0.00Å
C30	H30	sing	1.10Å	0.00Å
C31	O2	doub	1.22Å	0.00Å
C31	C32	sing	1.51Å	0.00Å
C32	O3	doub	1.22Å	0.00Å
C32	C33	sing	1.51Å	0.00Å
C33	N5	sing	1.44Å	0.00Å
C33	C34	sing	1.53Å	0.00Å
C33	H33	sing	1.09Å	0.00Å
N5	HN5	sing	1.02Å	0.00Å
C34	C35	sing	1.53Å	0.00Å
C34	H341	sing	1.10Å	0.00Å
C34	H342	sing	1.10Å	0.00Å
C35	C36	sing	1.53Å	0.00Å
C35	H351	sing	1.10Å	0.00Å
C35	H352	sing	1.10Å	0.00Å
C36	C37	sing	1.53Å	0.00Å
C36	H361	sing	1.10Å	0.00Å
C36	H362	sing	1.10Å	0.00Å
C37	N6	sing	1.46Å	0.00Å
C37	H371	sing	1.09Å	0.00Å
C37	H372	sing	1.10Å	0.00Å
N6	HN61	sing	1.00Å	0.00Å
N6	HN62	sing	1.00Å	0.00Å
C38	C39	sing	1.53Å	0.00Å
C38	H381	sing	1.10Å	0.00Å
C38	H382	sing	1.10Å	0.00Å
C39	C40	sing	1.53Å	0.00Å
C39	H391	sing	1.10Å	0.00Å
C39	H392	sing	1.09Å	0.00Å
C40	C41	sing	1.53Å	0.00Å
C40	H401	sing	1.10Å	0.00Å
C40	H402	sing	1.10Å	0.00Å
C41	N8	sing	1.46Å	0.00Å
C41	H411	sing	1.10Å	0.00Å
C41	H412	sing	1.10Å	0.00Å
N8	HN81	sing	1.00Å	0.00Å
N8	HN82	sing	1.00Å	0.00Å
C42	C43	sing	1.53Å	0.00Å
C42	H421	sing	1.10Å	0.00Å
C42	H422	sing	1.10Å	0.00Å
C43	C44	sing	1.53Å	0.00Å
C43	H431	sing	1.10Å	0.00Å
C43	H432	sing	1.10Å	0.00Å
C44	C45	sing	1.53Å	0.00Å
C44	H441	sing	1.10Å	0.00Å
C44	H442	sing	1.10Å	0.00Å
C45	N9	sing	1.46Å	0.00Å
C45	H451	sing	1.10Å	0.00Å
C45	H452	sing	1.09Å	0.00Å
N9	HN91	sing	1.00Å	0.00Å
N9	HN92	sing	1.00Å	0.00Å
C46	O5	doub	1.23Å	0.00Å
C46	HC46	sing	1.10Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O27	C26	C28	120.0°	119.6°
O27	C26	N25	122.6°	127.0°
C28	C26	N25	117.3°	113.4°
C26	C28	H281	109.5°	112.4°
C26	C28	H282	109.5°	112.4°
C26	C28	H283	109.5°	115.4°
C26	N25	C23	126.1°	122.6°
C26	N25	H1	116.9°	118.7°
H281	C28	H282	109.4°	105.3°
H281	C28	H283	109.5°	105.2°
H282	C28	H283	109.5°	105.3°
C23	N25	H1	116.9°	118.7°
N25	C23	C24	116.1°	107.6°
N25	C23	C22	106.1°	112.3°
N25	C23	H23	110.0°	108.5°
C24	C23	C22	116.0°	109.4°
C24	C23	H23	98.5°	109.0°
C23	C24	N5	12.3°	112.2°
C23	C24	O4	12.3°	123.0°
C22	C23	H23	110.0°	109.9°
C23	C22	C21	123.1°	113.4°
C23	C22	H221	105.2°	109.1°
C23	C22	H222	101.9°	109.9°
N5	C24	O4	0.0°	124.8°
C24	N5	C33	90.0°	123.3°
C24	N5	HN5	90.0°	119.2°
C21	C22	H221	105.1°	108.8°
C21	C22	H222	102.0°	109.5°
C22	C21	C20	113.8°	111.2°
C22	C21	H211	108.1°	110.2°
C22	C21	H212	107.1°	109.5°
H221	C22	H222	120.9°	105.9°
C20	C21	H211	108.1°	109.0°
C20	C21	H212	107.1°	109.5°
C21	C20	C19	120.4°	111.2°
C21	C20	H201	106.0°	109.4°
C21	C20	H202	103.5°	109.5°
H211	C21	H212	112.9°	107.3°
C19	C20	H201	106.0°	109.8°
C19	C20	H202	103.4°	109.7°
C20	C19	N18	117.3°	110.3°
C20	C19	H191	106.9°	110.3°
C20	C19	H192	105.2°	110.1°
H201	C20	H202	118.5°	107.1°
N18	C19	H191	107.0°	109.3°
N18	C19	H192	105.1°	109.0°
C19	N18	C10	130.8°	123.2°
C19	N18	H18	102.9°	117.4°
H191	C19	H192	115.8°	107.8°
C10	N18	H18	102.9°	119.4°
N18	C10	C5	128.5°	121.2°
N18	C10	C9	115.8°	121.3°
C5	C10	C9	115.7°	117.5°
C10	C5	C4	125.4°	121.0°
C10	C5	C6	121.1°	120.1°
C10	C9	C14	124.1°	121.0°
C10	C9	C8	120.2°	120.1°
C4	C5	C6	113.5°	118.9°
C5	C4	C3	123.3°	120.5°
C5	C4	H4	118.4°	121.6°
C5	C6	N7	120.2°	119.3°
C5	C6	C1	121.8°	120.3°
C3	C4	H4	118.3°	117.9°
C4	C3	C2	122.7°	120.2°
C4	C3	H3	118.6°	119.1°
C2	C3	H3	118.6°	120.7°
C3	C2	CL15	115.6°	119.9°
C3	C2	C1	118.6°	120.1°
CL15	C2	C1	125.8°	120.0°
C2	C1	C6	120.0°	120.0°
C2	C1	H2	120.0°	120.3°
C14	C9	C8	115.7°	118.9°
C9	C14	C13	121.7°	120.5°
C9	C14	H14	119.2°	121.4°
C9	C8	C11	120.8°	120.3°
C9	C8	N7	121.6°	119.3°
C13	C14	H14	119.2°	118.2°
C14	C13	O16	120.3°	119.9°
C14	C13	C12	121.1°	120.2°
O16	C13	C12	118.5°	119.9°
C13	O16	C17	122.0°	117.0°
C13	C12	C11	120.4°	120.1°
C13	C12	H12	119.8°	120.3°
O16	C17	H171	109.5°	109.6°
O16	C17	H172	109.5°	109.5°
O16	C17	H173	109.5°	109.0°
H171	C17	H172	109.5°	110.1°
H171	C17	H173	109.5°	109.3°
H172	C17	H173	109.5°	109.3°
C11	C12	H12	119.8°	119.6°
C12	C11	C8	120.3°	120.0°
C12	C11	H11	119.8°	119.5°
C8	C11	H11	119.9°	120.5°
C11	C8	N7	117.6°	120.3°
C8	N7	C6	121.3°	123.7°
C8	N7	HN7	119.4°	118.1°
C6	N7	HN7	119.3°	118.2°
N7	C6	C1	118.0°	120.3°
C6	C1	H2	120.0°	119.7°
C7	N1	HN11	90.0°	117.1°
C7	N1	HN12	90.0°	117.1°
N1	C7	C15	90.0°	110.5°
N1	C7	H71	90.0°	109.2°
N1	C7	H72	90.0°	107.9°
HN11	N1	HN12	90.0°	124.2°
C15	C7	H71	90.0°	111.5°
C15	C7	H72	90.0°	109.6°
C7	C15	C16	90.0°	112.9°
C7	C15	H151	90.0°	108.4°
C7	C15	H152	90.0°	109.9°
H71	C7	H72	90.0°	108.1°
C16	C15	H151	90.0°	108.9°
C16	C15	H152	90.0°	109.6°
C15	C16	C18	90.0°	111.1°
C15	C16	H161	90.0°	110.1°
C15	C16	H162	90.0°	109.2°
H151	C15	H152	90.0°	107.1°
C18	C16	H161	90.0°	109.2°
C18	C16	H162	90.0°	109.9°
C16	C18	C25	90.0°	112.4°
C16	C18	H181	90.0°	109.5°
C16	C18	H182	90.0°	108.9°
H161	C16	H162	90.0°	107.3°
C25	C18	H181	90.0°	109.9°
C25	C18	H182	90.0°	109.5°
C18	C25	N2	90.0°	112.4°
C18	C25	C46	90.0°	111.7°
C18	C25	H25	90.0°	111.8°
H181	C18	H182	90.0°	106.5°
N2	C25	C46	90.0°	106.3°
N2	C25	H25	90.0°	106.8°
C25	N2	N3	90.0°	107.9°
C25	N2	HN2	90.0°	109.3°
C46	C25	H25	90.0°	107.5°
C25	C46	O5	90.0°	123.4°
C25	C46	HC46	90.0°	116.6°
N3	N2	HN2	90.0°	109.5°
N2	N3	C27	90.0°	107.9°
N2	N3	HN3	90.0°	109.6°
C27	N3	HN3	90.0°	109.1°
N3	C27	C29	90.0°	107.6°
N3	C27	C42	90.0°	112.3°
N3	C27	H27	90.0°	108.5°
C29	C27	C42	90.0°	109.4°
C29	C27	H27	90.0°	109.1°
C27	C29	O1	90.0°	123.0°
C27	C29	N4	90.0°	112.3°
C42	C27	H27	90.0°	109.8°
C27	C42	C43	90.0°	113.4°
C27	C42	H421	90.0°	109.1°
C27	C42	H422	90.0°	109.9°
O1	C29	N4	90.0°	124.7°
C29	N4	C30	90.0°	123.4°
C29	N4	HN4	90.0°	119.0°
C30	N4	HN4	90.0°	117.6°
N4	C30	C31	90.0°	109.9°
N4	C30	C38	90.0°	109.9°
N4	C30	H30	90.0°	106.0°
C31	C30	C38	90.0°	112.5°
C31	C30	H30	90.0°	107.7°
C30	C31	O2	90.0°	124.3°
C30	C31	C32	90.0°	119.5°
C38	C30	H30	90.0°	110.7°
C30	C38	C39	90.0°	113.5°
C30	C38	H381	90.0°	108.9°
C30	C38	H382	90.0°	110.2°
O2	C31	C32	90.0°	116.1°
C31	C32	O3	90.0°	117.1°
C31	C32	C33	90.0°	117.1°
O3	C32	C33	90.0°	125.7°
C32	C33	N5	90.0°	105.4°
C32	C33	C34	90.0°	112.1°
C32	C33	H33	90.0°	110.7°
N5	C33	C34	90.0°	110.5°
N5	C33	H33	90.0°	106.2°
C33	N5	HN5	90.0°	117.5°
C34	C33	H33	90.0°	111.7°
C33	C34	C35	90.0°	115.3°
C33	C34	H341	90.0°	109.5°
C33	C34	H342	90.0°	109.2°
C35	C34	H341	90.0°	107.8°
C35	C34	H342	90.0°	109.1°
C34	C35	C36	90.0°	116.1°
C34	C35	H351	90.0°	108.0°
C34	C35	H352	90.0°	109.2°
H341	C34	H342	90.0°	105.4°
C36	C35	H351	90.0°	108.7°
C36	C35	H352	90.0°	108.6°
C35	C36	C37	90.0°	113.5°
C35	C36	H361	90.0°	107.8°
C35	C36	H362	90.0°	110.0°
H351	C35	H352	90.0°	105.8°
C37	C36	H361	90.0°	109.4°
C37	C36	H362	90.0°	109.9°
C36	C37	N6	90.0°	110.1°
C36	C37	H371	90.0°	110.6°
C36	C37	H372	90.0°	110.3°
H361	C36	H362	90.0°	106.0°
N6	C37	H371	90.0°	108.4°
N6	C37	H372	90.0°	109.4°
C37	N6	HN61	90.0°	118.2°
C37	N6	HN62	90.0°	118.1°
H371	C37	H372	90.0°	107.9°
HN61	N6	HN62	90.0°	122.3°
C39	C38	H381	90.0°	108.4°
C39	C38	H382	90.0°	109.4°
C38	C39	C40	90.0°	111.1°
C38	C39	H391	90.0°	109.6°
C38	C39	H392	90.0°	110.2°
H381	C38	H382	90.0°	106.2°
C40	C39	H391	90.0°	109.6°
C40	C39	H392	90.0°	108.8°
C39	C40	C41	90.0°	111.2°
C39	C40	H401	90.0°	109.4°
C39	C40	H402	90.0°	109.5°
H391	C39	H392	90.0°	107.4°
C41	C40	H401	90.0°	109.8°
C41	C40	H402	90.0°	109.7°
C40	C41	N8	90.0°	110.3°
C40	C41	H411	90.0°	110.1°
C40	C41	H412	90.0°	110.2°
H401	C40	H402	90.0°	107.2°
N8	C41	H411	90.0°	109.1°
N8	C41	H412	90.0°	109.3°
C41	N8	HN81	90.0°	118.2°
C41	N8	HN82	90.0°	118.2°
H411	C41	H412	90.0°	107.7°
HN81	N8	HN82	90.0°	122.3°
C43	C42	H421	90.0°	108.8°
C43	C42	H422	90.0°	109.6°
C42	C43	C44	90.0°	111.2°
C42	C43	H431	90.0°	110.1°
C42	C43	H432	90.0°	109.5°
H421	C42	H422	90.0°	105.8°
C44	C43	H431	90.0°	109.0°
C44	C43	H432	90.0°	109.5°
C43	C44	C45	90.0°	111.2°
C43	C44	H441	90.0°	109.5°
C43	C44	H442	90.0°	109.4°
H431	C43	H432	90.0°	107.3°
C45	C44	H441	90.0°	109.8°
C45	C44	H442	90.0°	109.7°
C44	C45	N9	90.0°	110.3°
C44	C45	H451	90.0°	110.2°
C44	C45	H452	90.0°	110.1°
H441	C44	H442	90.0°	107.1°
N9	C45	H451	90.0°	109.4°
N9	C45	H452	90.0°	109.0°
C45	N9	HN91	90.0°	118.2°
C45	N9	HN92	90.0°	118.2°
H451	C45	H452	90.0°	107.8°
HN91	N9	HN92	90.0°	122.2°
O5	C46	HC46	90.0°	119.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O27	C26	C28	N25	176.6°	179.9°
O27	C26	C28	H281	129.1°	59.3°
O27	C26	C28	H282	110.9°	59.3°
O27	C26	C28	H283	9.1°	180.0°
O27	C26	N25	C23	10.2°	0.0°
O27	C26	N25	H1	169.8°	180.0°
C26	C28	H281	H282	120.0°	122.7°
C26	C28	H281	H283	120.0°	126.4°
C26	C28	H282	H283	120.0°	126.4°
C28	C26	N25	C23	166.3°	179.9°
C28	C26	N25	H1	13.6°	0.1°
N25	C26	C28	H281	47.6°	120.8°
N25	C26	C28	H282	72.4°	120.6°
N25	C26	C28	H283	167.5°	0.2°
C26	N25	C23	H1	180.0°	180.0°
C26	N25	C23	C24	53.0°	87.9°
C26	N25	C23	C22	176.6°	151.6°
C26	N25	C23	H23	57.7°	30.0°
H281	C28	H282	H283	120.0°	110.9°
N25	C23	C24	C22	125.5°	122.2°
N25	C23	C24	H23	117.2°	117.6°
N25	C23	C22	H23	118.9°	120.9°
N25	C23	C24	N5	176.1°	146.5°
N25	C23	C24	O4	176.1°	32.4°
N25	C23	C22	C21	151.7°	62.0°
N25	C23	C22	H221	31.7°	59.4°
N25	C23	C22	H222	95.3°	175.1°
H1	N25	C23	C24	127.1°	92.1°
H1	N25	C23	C22	3.4°	28.4°
H1	N25	C23	H23	122.3°	150.1°
C24	C23	C22	H23	110.6°	119.7°
C23	C24	N5	O4	90.0°	178.9°
C24	C23	C22	C21	21.2°	178.6°
C24	C23	C22	H221	98.8°	60.0°
C24	C23	C22	H222	134.2°	55.6°
C23	C24	N5	C33	90.0°	179.0°
C23	C24	N5	HN5	90.0°	1.6°
C22	C23	C24	N5	50.6°	91.2°
C22	C23	C24	O4	50.6°	89.8°
C23	C22	C21	H221	120.0°	121.6°
C23	C22	C21	H222	113.0°	123.1°
C23	C22	H221	H222	114.4°	118.2°
C23	C22	C21	C20	176.2°	178.4°
C23	C22	C21	H211	56.1°	57.4°
C23	C22	C21	H212	65.7°	60.5°
H23	C23	C24	N5	66.7°	29.0°
H23	C23	C24	O4	66.7°	150.0°
H23	C23	C22	C21	89.4°	58.9°
H23	C23	C22	H221	150.6°	179.7°
H23	C23	C22	H222	23.6°	64.0°
C24	N5	C33	C32	90.0°	87.5°
C24	N5	C33	HN5	90.0°	179.4°
C24	N5	C33	C34	90.0°	151.3°
C24	N5	C33	H33	90.0°	30.0°
O4	C24	N5	C33	90.0°	0.1°
O4	C24	N5	HN5	90.0°	179.5°
C21	C22	H221	H222	114.4°	117.7°
C22	C21	C20	H211	120.0°	121.7°
C22	C21	C20	H212	118.1°	121.2°
C22	C21	H211	H212	118.2°	119.2°
C22	C21	C20	C19	31.7°	178.5°
C22	C21	C20	H201	88.3°	60.0°
C22	C21	C20	H202	146.4°	57.1°
H221	C22	C21	C20	63.8°	60.0°
H221	C22	C21	H211	176.2°	179.0°
H221	C22	C21	H212	54.3°	61.1°
H222	C22	C21	C20	63.2°	55.3°
H222	C22	C21	H211	56.8°	65.7°
H222	C22	C21	H212	178.7°	176.4°
C20	C21	H211	H212	118.2°	118.5°
C21	C20	C19	H201	120.0°	121.3°
C21	C20	C19	H202	114.7°	121.3°
C21	C20	H201	H202	115.5°	118.6°
C21	C20	C19	N18	125.0°	59.1°
C21	C20	C19	H191	115.0°	180.0°
C21	C20	C19	H192	8.6°	61.2°
H211	C21	C20	C19	151.7°	59.8°
H211	C21	C20	H201	31.7°	61.7°
H211	C21	C20	H202	93.6°	178.8°
H212	C21	C20	C19	86.4°	57.3°
H212	C21	C20	H201	153.6°	178.8°
H212	C21	C20	H202	28.3°	64.1°
C19	C20	H201	H202	115.5°	119.0°
C20	C19	N18	H191	120.0°	121.4°
C20	C19	N18	H192	116.4°	121.0°
C20	C19	H191	H192	116.8°	120.2°
C20	C19	N18	C10	126.0°	148.6°
C20	C19	N18	H18	6.0°	31.6°
H201	C20	C19	N18	5.0°	179.6°
H201	C20	C19	H191	125.0°	58.7°
H201	C20	C19	H192	111.3°	60.1°
H202	C20	C19	N18	120.3°	62.2°
H202	C20	C19	H191	0.3°	58.7°
H202	C20	C19	H192	123.3°	177.5°
N18	C19	H191	H192	116.8°	118.3°
C19	N18	C10	H18	120.0°	179.8°
C19	N18	C10	C5	16.8°	20.0°
C19	N18	C10	C9	159.9°	160.0°
H191	C19	N18	C10	114.0°	90.0°
H191	C19	N18	H18	126.0°	89.9°
H192	C19	N18	C10	9.6°	27.6°
H192	C19	N18	H18	110.4°	152.6°
N18	C10	C5	C9	176.7°	180.0°
N18	C10	C5	C4	3.2°	0.0°
N18	C10	C5	C6	177.5°	180.0°
N18	C10	C9	C14	2.4°	0.1°
N18	C10	C9	C8	177.9°	180.0°
H18	N18	C10	C5	103.3°	159.9°
H18	N18	C10	C9	80.0°	20.2°
C10	C5	C4	C6	179.4°	180.0°
C10	C5	C4	C3	179.3°	180.0°
C10	C5	C4	H4	0.6°	0.1°
C5	C10	C9	C14	179.6°	180.0°
C5	C10	C9	C8	0.7°	0.0°
C10	C5	C6	N7	0.4°	0.0°
C10	C5	C6	C1	179.0°	180.0°
C9	C10	C5	C4	179.9°	180.0°
C9	C10	C5	C6	0.8°	0.0°
C10	C9	C14	C8	179.7°	180.0°
C10	C9	C14	C13	179.6°	180.0°
C10	C9	C14	H14	0.4°	0.0°
C10	C9	C8	C11	179.4°	179.9°
C10	C9	C8	N7	0.3°	0.0°
C5	C4	C3	H4	180.0°	179.9°
C5	C4	C3	C2	0.0°	0.0°
C5	C4	C3	H3	180.0°	180.0°
C4	C5	C6	N7	179.8°	180.0°
C4	C5	C6	C1	0.4°	0.0°
C6	C5	C4	C3	0.1°	0.0°
C6	C5	C4	H4	180.0°	180.0°
C5	C6	C1	C2	0.7°	0.1°
C5	C6	N7	C8	0.1°	0.0°
C5	C6	N7	C1	179.4°	180.0°
C5	C6	N7	HN7	179.9°	180.0°
C5	C6	C1	H2	179.3°	180.0°
C4	C3	C2	H3	180.0°	180.0°
C4	C3	C2	CL15	179.7°	180.0°
C4	C3	C2	C1	0.3°	0.1°
H4	C4	C3	C2	180.0°	179.9°
H4	C4	C3	H3	0.0°	0.1°
C3	C2	CL15	C1	179.4°	179.9°
C3	C2	C1	C6	0.6°	0.1°
C3	C2	C1	H2	179.4°	179.9°
H3	C3	C2	CL15	0.3°	0.0°
H3	C3	C2	C1	179.8°	179.9°
CL15	C2	C1	C6	180.0°	180.0°
CL15	C2	C1	H2	0.0°	0.0°
C2	C1	C6	N7	179.9°	180.0°
C2	C1	C6	H2	180.0°	180.0°
C9	C14	C13	H14	180.0°	180.0°
C9	C14	C13	O16	179.5°	180.0°
C9	C14	C13	C12	0.1°	0.0°
C14	C9	C8	C11	0.3°	0.0°
C14	C9	C8	N7	179.9°	180.0°
C8	C9	C14	C13	0.1°	0.0°
C8	C9	C14	H14	179.9°	180.0°
C9	C8	C11	C12	0.6°	0.1°
C9	C8	C11	N7	179.7°	179.9°
C9	C8	C11	H11	179.4°	179.9°
C9	C8	N7	C6	0.1°	0.0°
C9	C8	N7	HN7	179.9°	180.0°
C14	C13	O16	C12	179.4°	180.0°
C14	C13	O16	C17	80.2°	180.0°
C14	C13	C12	C11	0.3°	0.1°
C14	C13	C12	H12	179.7°	180.0°
H14	C14	C13	O16	0.5°	0.0°
H14	C14	C13	C12	179.9°	180.0°
C13	O16	C17	H171	77.4°	38.6°
C13	O16	C17	H172	162.6°	82.3°
C13	O16	C17	H173	42.6°	158.2°
O16	C13	C12	C11	179.7°	180.0°
O16	C13	C12	H12	0.3°	0.0°
C12	C13	O16	C17	100.4°	0.1°
C13	C12	C11	H12	180.0°	179.9°
C13	C12	C11	C8	0.5°	0.1°
C13	C12	C11	H11	179.5°	179.9°
O16	C17	H171	H172	120.0°	120.5°
O16	C17	H171	H173	120.0°	119.4°
O16	C17	H172	H173	120.0°	119.3°
H171	C17	H172	H173	120.0°	120.1°
C12	C11	C8	H11	180.0°	179.8°
C12	C11	C8	N7	179.7°	180.0°
H12	C12	C11	C8	179.4°	179.9°
H12	C12	C11	H11	0.6°	0.1°
C11	C8	N7	C6	179.8°	179.9°
C11	C8	N7	HN7	0.2°	0.0°
H11	C11	C8	N7	0.3°	0.2°
C8	N7	C6	HN7	180.0°	180.0°
C8	N7	C6	C1	179.5°	180.0°
N7	C6	C1	H2	0.1°	0.0°
HN7	N7	C6	C1	0.5°	0.1°
C7	N1	HN11	HN12	90.0°	165.6°
N1	C7	C15	H71	90.0°	121.7°
N1	C7	C15	H72	90.0°	118.8°
N1	C7	H71	H72	90.0°	117.1°
N1	C7	C15	C16	90.0°	178.4°
N1	C7	C15	H151	90.0°	57.7°
N1	C7	C15	H152	90.0°	59.0°
HN11	N1	C7	C15	90.0°	140.5°
HN11	N1	C7	H71	90.0°	17.5°
HN11	N1	C7	H72	90.0°	99.7°
HN12	N1	C7	C15	90.0°	26.2°
HN12	N1	C7	H71	90.0°	149.2°
HN12	N1	C7	H72	90.0°	93.6°
C15	C7	H71	H72	90.0°	120.5°
C7	C15	C16	H151	90.0°	120.4°
C7	C15	C16	H152	90.0°	122.8°
C7	C15	H151	H152	90.0°	118.5°
C7	C15	C16	C18	90.0°	179.7°
C7	C15	C16	H161	90.0°	58.6°
C7	C15	C16	H162	90.0°	58.9°
H71	C7	C15	C16	90.0°	60.0°
H71	C7	C15	H151	90.0°	179.4°
H71	C7	C15	H152	90.0°	62.7°
H72	C7	C15	C16	90.0°	59.6°
H72	C7	C15	H151	90.0°	61.0°
H72	C7	C15	H152	90.0°	177.7°
C16	C15	H151	H152	90.0°	118.4°
C15	C16	C18	H161	90.0°	121.6°
C15	C16	C18	H162	90.0°	121.0°
C15	C16	H161	H162	90.0°	118.7°
C15	C16	C18	C25	90.0°	177.6°
C15	C16	C18	H181	90.0°	60.0°
C15	C16	C18	H182	90.0°	56.0°
H151	C15	C16	C18	90.0°	60.0°
H151	C15	C16	H161	90.0°	179.0°
H151	C15	C16	H162	90.0°	61.5°
H152	C15	C16	C18	90.0°	56.8°
H152	C15	C16	H161	90.0°	64.2°
H152	C15	C16	H162	90.0°	178.2°
C18	C16	H161	H162	90.0°	119.0°
C16	C18	C25	H181	90.0°	122.2°
C16	C18	C25	H182	90.0°	121.2°
C16	C18	H181	H182	90.0°	117.6°
C16	C18	C25	N2	90.0°	57.1°
C16	C18	C25	C46	90.0°	62.2°
C16	C18	C25	H25	90.0°	177.2°
H161	C16	C18	C25	90.0°	56.0°
H161	C16	C18	H181	90.0°	178.4°
H161	C16	C18	H182	90.0°	65.5°
H162	C16	C18	C25	90.0°	61.4°
H162	C16	C18	H181	90.0°	61.0°
H162	C16	C18	H182	90.0°	177.1°
C25	C18	H181	H182	90.0°	118.5°
C18	C25	N2	C46	90.0°	122.5°
C18	C25	N2	H25	90.0°	123.0°
C18	C25	C46	H25	90.0°	123.0°
C18	C25	N2	N3	90.0°	58.6°
C18	C25	N2	HN2	90.0°	177.6°
C18	C25	C46	O5	90.0°	117.0°
C18	C25	C46	HC46	90.0°	57.5°
H181	C18	C25	N2	90.0°	179.3°
H181	C18	C25	C46	90.0°	60.0°
H181	C18	C25	H25	90.0°	60.6°
H182	C18	C25	N2	90.0°	64.1°
H182	C18	C25	C46	90.0°	176.6°
H182	C18	C25	H25	90.0°	56.0°
N2	C25	C46	H25	90.0°	114.1°
C25	N2	N3	HN2	90.0°	118.9°
C25	N2	N3	C27	90.0°	178.7°
C25	N2	N3	HN3	90.0°	60.0°
N2	C25	C46	O5	90.0°	5.9°
N2	C25	C46	HC46	90.0°	179.6°
C46	C25	N2	N3	90.0°	178.9°
C46	C25	N2	HN2	90.0°	60.0°
C25	C46	O5	HC46	90.0°	174.3°
H25	C25	N2	N3	90.0°	64.4°
H25	C25	N2	HN2	90.0°	54.6°
H25	C25	C46	O5	90.0°	120.0°
H25	C25	C46	HC46	90.0°	65.5°
N2	N3	C27	HN3	90.0°	119.0°
N2	N3	C27	C29	90.0°	179.0°
N2	N3	C27	C42	90.0°	60.6°
N2	N3	C27	H27	90.0°	61.0°
HN2	N2	N3	C27	90.0°	59.8°
HN2	N2	N3	HN3	90.0°	58.9°
N3	C27	C29	C42	90.0°	122.3°
N3	C27	C29	H27	90.0°	117.6°
N3	C27	C42	H27	90.0°	120.9°
N3	C27	C29	O1	90.0°	62.4°
N3	C27	C29	N4	90.0°	118.5°
N3	C27	C42	C43	90.0°	179.2°
N3	C27	C42	H421	90.0°	59.4°
N3	C27	C42	H422	90.0°	56.2°
HN3	N3	C27	C29	90.0°	60.0°
HN3	N3	C27	C42	90.0°	179.5°
HN3	N3	C27	H27	90.0°	57.9°
C29	C27	C42	H27	90.0°	119.7°
C27	C29	O1	N4	90.0°	179.0°
C27	C29	N4	C30	90.0°	179.0°
C27	C29	N4	HN4	90.0°	1.5°
C29	C27	C42	C43	90.0°	61.4°
C29	C27	C42	H421	90.0°	60.1°
C29	C27	C42	H422	90.0°	175.6°
C42	C27	C29	O1	90.0°	59.9°
C42	C27	C29	N4	90.0°	119.2°
C27	C42	C43	H421	90.0°	121.6°
C27	C42	C43	H422	90.0°	123.2°
C27	C42	H421	H422	90.0°	118.1°
C27	C42	C43	C44	90.0°	178.4°
C27	C42	C43	H431	90.0°	57.4°
C27	C42	C43	H432	90.0°	60.4°
H27	C27	C29	O1	90.0°	180.0°
H27	C27	C29	N4	90.0°	0.9°
H27	C27	C42	C43	90.0°	58.3°
H27	C27	C42	H421	90.0°	179.8°
H27	C27	C42	H422	90.0°	64.7°
O1	C29	N4	C30	90.0°	0.1°
O1	C29	N4	HN4	90.0°	179.4°
C29	N4	C30	HN4	90.0°	179.6°
C29	N4	C30	C31	90.0°	146.0°
C29	N4	C30	C38	90.0°	89.7°
C29	N4	C30	H30	90.0°	29.9°
N4	C30	C31	C38	90.0°	122.8°
N4	C30	C31	H30	90.0°	115.0°
N4	C30	C38	H30	90.0°	116.7°
N4	C30	C31	O2	90.0°	36.2°
N4	C30	C31	C32	90.0°	145.0°
N4	C30	C38	C39	90.0°	63.7°
N4	C30	C38	H381	90.0°	57.1°
N4	C30	C38	H382	90.0°	173.2°
HN4	N4	C30	C31	90.0°	34.4°
HN4	N4	C30	C38	90.0°	89.9°
HN4	N4	C30	H30	90.0°	150.5°
C31	C30	C38	H30	90.0°	120.5°
C30	C31	O2	C32	90.0°	178.8°
C30	C31	C32	O3	90.0°	178.9°
C30	C31	C32	C33	90.0°	1.2°
C31	C30	C38	C39	90.0°	59.1°
C31	C30	C38	H381	90.0°	179.9°
C31	C30	C38	H382	90.0°	63.9°
C38	C30	C31	O2	90.0°	86.6°
C38	C30	C31	C32	90.0°	92.2°
C30	C38	C39	H381	90.0°	121.1°
C30	C38	C39	H382	90.0°	123.6°
C30	C38	H381	H382	90.0°	118.7°
C30	C38	C39	C40	90.0°	178.9°
C30	C38	C39	H391	90.0°	59.8°
C30	C38	C39	H392	90.0°	58.2°
H30	C30	C31	O2	90.0°	151.2°
H30	C30	C31	C32	90.0°	30.0°
H30	C30	C38	C39	90.0°	179.6°
H30	C30	C38	H381	90.0°	59.6°
H30	C30	C38	H382	90.0°	56.6°
O2	C31	C32	O3	90.0°	0.0°
O2	C31	C32	C33	90.0°	177.7°
C31	C32	O3	C33	90.0°	177.5°
C31	C32	C33	N5	90.0°	144.4°
C31	C32	C33	C34	90.0°	95.4°
C31	C32	C33	H33	90.0°	30.0°
O3	C32	C33	N5	90.0°	38.1°
O3	C32	C33	C34	90.0°	82.0°
O3	C32	C33	H33	90.0°	152.6°
C32	C33	N5	C34	90.0°	121.2°
C32	C33	N5	H33	90.0°	117.5°
C32	C33	C34	H33	90.0°	124.9°
C32	C33	N5	HN5	90.0°	91.9°
C32	C33	C34	C35	90.0°	178.3°
C32	C33	C34	H341	90.0°	59.9°
C32	C33	C34	H342	90.0°	55.0°
N5	C33	C34	H33	90.0°	118.0°
N5	C33	C34	C35	90.0°	61.1°
N5	C33	C34	H341	90.0°	177.1°
N5	C33	C34	H342	90.0°	62.2°
C34	C33	N5	HN5	90.0°	29.3°
C33	C34	C35	H341	90.0°	122.6°
C33	C34	C35	H342	90.0°	123.4°
C33	C34	H341	H342	90.0°	117.4°
C33	C34	C35	C36	90.0°	177.4°
C33	C34	C35	H351	90.0°	60.3°
C33	C34	C35	H352	90.0°	54.2°
H33	C33	N5	HN5	90.0°	150.6°
H33	C33	C34	C35	90.0°	56.9°
H33	C33	C34	H341	90.0°	64.9°
H33	C33	C34	H342	90.0°	179.8°
C35	C34	H341	H342	90.0°	116.5°
C34	C35	C36	H351	90.0°	122.0°
C34	C35	C36	H352	90.0°	123.4°
C34	C35	H351	H352	90.0°	116.8°
C34	C35	C36	C37	90.0°	178.7°
C34	C35	C36	H361	90.0°	60.0°
C34	C35	C36	H362	90.0°	55.2°
H341	C34	C35	C36	90.0°	60.0°
H341	C34	C35	H351	90.0°	62.3°
H341	C34	C35	H352	90.0°	176.9°
H342	C34	C35	C36	90.0°	54.0°
H342	C34	C35	H351	90.0°	176.3°
H342	C34	C35	H352	90.0°	69.1°
C36	C35	H351	H352	90.0°	116.4°
C35	C36	C37	H361	90.0°	120.4°
C35	C36	C37	H362	90.0°	123.6°
C35	C36	H361	H362	90.0°	117.7°
C35	C36	C37	N6	90.0°	59.8°
C35	C36	C37	H371	90.0°	60.0°
C35	C36	C37	H372	90.0°	179.3°
H351	C35	C36	C37	90.0°	56.8°
H351	C35	C36	H361	90.0°	178.0°
H351	C35	C36	H362	90.0°	66.8°
H352	C35	C36	C37	90.0°	57.8°
H352	C35	C36	H361	90.0°	63.4°
H352	C35	C36	H362	90.0°	178.6°
C37	C36	H361	H362	90.0°	118.5°
C36	C37	N6	H371	90.0°	121.2°
C36	C37	N6	H372	90.0°	121.4°
C36	C37	H371	H372	90.0°	120.7°
C36	C37	N6	HN61	90.0°	154.8°
C36	C37	N6	HN62	90.0°	38.6°
H361	C36	C37	N6	90.0°	179.8°
H361	C36	C37	H371	90.0°	60.3°
H361	C36	C37	H372	90.0°	58.9°
H362	C36	C37	N6	90.0°	63.8°
H362	C36	C37	H371	90.0°	176.4°
H362	C36	C37	H372	90.0°	57.1°
N6	C37	H371	H372	90.0°	118.4°
C37	N6	HN61	HN62	90.0°	165.9°
H371	C37	N6	HN61	90.0°	33.7°
H371	C37	N6	HN62	90.0°	159.8°
H372	C37	N6	HN61	90.0°	83.7°
H372	C37	N6	HN62	90.0°	82.8°
C39	C38	H381	H382	90.0°	117.4°
C38	C39	C40	H391	90.0°	121.3°
C38	C39	C40	H392	90.0°	121.5°
C38	C39	H391	H392	90.0°	119.7°
C38	C39	C40	C41	90.0°	178.6°
C38	C39	C40	H401	90.0°	60.0°
C38	C39	C40	H402	90.0°	57.2°
H381	C38	C39	C40	90.0°	60.0°
H381	C38	C39	H391	90.0°	61.3°
H381	C38	C39	H392	90.0°	179.3°
H382	C38	C39	C40	90.0°	55.3°
H382	C38	C39	H391	90.0°	176.6°
H382	C38	C39	H392	90.0°	65.4°
C40	C39	H391	H392	90.0°	118.1°
C39	C40	C41	H401	90.0°	121.1°
C39	C40	C41	H402	90.0°	121.3°
C39	C40	H401	H402	90.0°	118.7°
C39	C40	C41	N8	90.0°	179.6°
C39	C40	C41	H411	90.0°	60.0°
C39	C40	C41	H412	90.0°	58.8°
H391	C39	C40	C41	90.0°	57.3°
H391	C39	C40	H401	90.0°	178.6°
H391	C39	C40	H402	90.0°	64.2°
H392	C39	C40	C41	90.0°	59.9°
H392	C39	C40	H401	90.0°	61.5°
H392	C39	C40	H402	90.0°	178.7°
C41	C40	H401	H402	90.0°	119.1°
C40	C41	N8	H411	90.0°	121.0°
C40	C41	N8	H412	90.0°	121.4°
C40	C41	H411	H412	90.0°	120.2°
C40	C41	N8	HN81	90.0°	24.0°
C40	C41	N8	HN82	90.0°	169.3°
H401	C40	C41	N8	90.0°	58.5°
H401	C40	C41	H411	90.0°	178.9°
H401	C40	C41	H412	90.0°	62.4°
H402	C40	C41	N8	90.0°	59.1°
H402	C40	C41	H411	90.0°	61.4°
H402	C40	C41	H412	90.0°	179.9°
N8	C41	H411	H412	90.0°	118.6°
C41	N8	HN81	HN82	90.0°	166.1°
H411	C41	N8	HN81	90.0°	145.0°
H411	C41	N8	HN82	90.0°	48.3°
H412	C41	N8	HN81	90.0°	97.4°
H412	C41	N8	HN82	90.0°	69.3°
C43	C42	H421	H422	90.0°	117.7°
C42	C43	C44	H431	90.0°	121.6°
C42	C43	C44	H432	90.0°	121.2°
C42	C43	H431	H432	90.0°	119.2°
C42	C43	C44	C45	90.0°	178.5°
C42	C43	C44	H441	90.0°	60.0°
C42	C43	C44	H442	90.0°	57.1°
H421	C42	C43	C44	90.0°	60.0°
H421	C42	C43	H431	90.0°	179.0°
H421	C42	C43	H432	90.0°	61.2°
H422	C42	C43	C44	90.0°	55.2°
H422	C42	C43	H431	90.0°	65.7°
H422	C42	C43	H432	90.0°	176.5°
C44	C43	H431	H432	90.0°	118.6°
C43	C44	C45	H441	90.0°	121.3°
C43	C44	C45	H442	90.0°	121.2°
C43	C44	H441	H442	90.0°	118.5°
C43	C44	C45	N9	90.0°	179.1°
C43	C44	C45	H451	90.0°	60.0°
C43	C44	C45	H452	90.0°	58.7°
H431	C43	C44	C45	90.0°	59.9°
H431	C43	C44	H441	90.0°	61.7°
H431	C43	C44	H442	90.0°	178.7°
H432	C43	C44	C45	90.0°	57.3°
H432	C43	C44	H441	90.0°	178.8°
H432	C43	C44	H442	90.0°	64.1°
C45	C44	H441	H442	90.0°	119.1°
C44	C45	N9	H451	90.0°	121.4°
C44	C45	N9	H452	90.0°	121.0°
C44	C45	H451	H452	90.0°	120.2°
C44	C45	N9	HN91	90.0°	80.3°
C44	C45	N9	HN92	90.0°	86.3°
H441	C44	C45	N9	90.0°	59.6°
H441	C44	C45	H451	90.0°	61.3°
H441	C44	C45	H452	90.0°	180.0°
H442	C44	C45	N9	90.0°	57.9°
H442	C44	C45	H451	90.0°	178.7°
H442	C44	C45	H452	90.0°	62.5°
N9	C45	H451	H452	90.0°	118.4°
C45	N9	HN91	HN92	90.0°	166.1°
H451	C45	N9	HN91	90.0°	158.3°
H451	C45	N9	HN92	90.0°	35.1°
H452	C45	N9	HN91	90.0°	40.7°
H452	C45	N9	HN92	90.0°	152.7°

Definition date:	2004-10-26
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	1XCS