3WB

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C33	C34	doub	0.00Å	1.30Å	Aromatic
C33	C32	sing	0.00Å	1.41Å	Aromatic
C34	C35	sing	0.00Å	1.46Å	Aromatic
N10	C32	sing	0.00Å	1.37Å	Aromatic
N10	C31	doub	0.00Å	1.31Å	Aromatic
C32	C29	doub	0.00Å	1.45Å	Aromatic
C35	N11	sing	0.00Å	1.37Å	Aromatic
C35	C36	doub	0.00Å	1.39Å	Aromatic
N11	C37	doub	0.00Å	1.32Å	Aromatic
C31	C30	sing	0.00Å	1.38Å	Aromatic
C29	C36	sing	0.00Å	1.40Å	Aromatic
C29	N9	sing	0.00Å	1.38Å	Aromatic
C36	N12	sing	0.00Å	1.41Å	Aromatic
C37	C38	sing	0.00Å	1.41Å	Aromatic
C30	N9	doub	0.00Å	1.33Å	Aromatic
N9	RU	sing	0.00Å	2.05Å
N12	C38	doub	0.00Å	1.28Å	Aromatic
N12	RU	sing	0.00Å	2.03Å
C28	C27	sing	0.00Å	1.44Å	Aromatic
C28	N8	doub	0.00Å	1.31Å	Aromatic
C27	N7	doub	0.00Å	1.31Å	Aromatic
C2	C3	sing	0.00Å	1.39Å	Aromatic
C2	N2	doub	0.00Å	1.35Å	Aromatic
N8	RU	sing	0.00Å	2.05Å
N8	C26	sing	0.00Å	1.40Å	Aromatic
RU	N2	sing	0.00Å	2.05Å
RU	N1	sing	0.00Å	2.05Å
RU	N5	sing	0.00Å	2.04Å
N7	C25	sing	0.00Å	1.35Å	Aromatic
C3	C4	doub	0.00Å	1.38Å	Aromatic
N2	C1	sing	0.00Å	1.37Å	Aromatic
C26	C25	doub	0.00Å	1.42Å	Aromatic
C26	C19	sing	0.00Å	1.39Å	Aromatic
C25	C24	sing	0.00Å	1.39Å	Aromatic
C4	C5	sing	0.00Å	1.39Å	Aromatic
C1	C5	doub	0.00Å	1.41Å	Aromatic
C1	C10	sing	0.00Å	1.40Å	Aromatic
N1	C10	sing	0.00Å	1.39Å	Aromatic
N1	C12	doub	0.00Å	1.33Å	Aromatic
C5	C6	sing	0.00Å	1.44Å	Aromatic
N5	C19	sing	0.00Å	1.39Å	Aromatic
N5	C20	doub	0.00Å	1.32Å	Aromatic
C10	C8	doub	0.00Å	1.41Å	Aromatic
C12	C11	sing	0.00Å	1.39Å	Aromatic
C19	C22	doub	0.00Å	1.38Å	Aromatic
C24	C23	doub	0.00Å	1.36Å	Aromatic
C20	C21	sing	0.00Å	1.39Å	Aromatic
C6	N3	sing	0.00Å	1.34Å	Aromatic
C6	C7	doub	0.00Å	1.44Å	Aromatic
C11	C9	doub	0.00Å	1.39Å	Aromatic
C8	C9	sing	0.00Å	1.39Å	Aromatic
C8	C7	sing	0.00Å	1.43Å	Aromatic
C22	C23	sing	0.00Å	1.45Å	Aromatic
C22	N6	sing	0.00Å	1.38Å	Aromatic
N3	C15	doub	0.00Å	1.40Å	Aromatic
C7	N4	sing	0.00Å	1.33Å	Aromatic
C21	N6	doub	0.00Å	1.34Å	Aromatic
C40	C16	sing	0.00Å	1.49Å
C15	C16	sing	0.00Å	1.39Å	Aromatic
C15	C13	sing	0.00Å	1.39Å	Aromatic
N4	C13	doub	0.00Å	1.35Å	Aromatic
C16	C17	doub	0.00Å	1.37Å	Aromatic
C13	C14	sing	0.00Å	1.42Å	Aromatic
C17	C18	sing	0.00Å	1.41Å	Aromatic
C14	C18	doub	0.00Å	1.39Å	Aromatic
C18	C39	sing	0.00Å	1.49Å
C37	H37	sing	0.00Å	1.08Å
C38	H38	sing	0.00Å	1.08Å
C34	H34	sing	0.00Å	1.08Å
C33	H33	sing	0.00Å	1.08Å
C31	H31	sing	0.00Å	1.08Å
C30	H30	sing	0.00Å	1.08Å
C12	H12	sing	0.00Å	1.08Å
C11	H11	sing	0.00Å	1.08Å
C9	H9	sing	0.00Å	1.08Å
C28	H28	sing	0.00Å	1.08Å
C27	H27	sing	0.00Å	1.08Å
C24	H24	sing	0.00Å	1.08Å
C23	H23	sing	0.00Å	1.08Å
C21	H21	sing	0.00Å	1.08Å
C20	H20	sing	0.00Å	1.08Å
C2	H2	sing	0.00Å	1.08Å
C3	H3	sing	0.00Å	1.08Å
C4	H4	sing	0.00Å	1.08Å
C17	H17	sing	0.00Å	1.08Å
C14	H14	sing	0.00Å	1.08Å
C39	H392	sing	0.00Å	1.10Å
C39	H39	sing	0.00Å	1.10Å
C39	H391	sing	0.00Å	1.10Å
C40	H40	sing	0.00Å	1.10Å
C40	H402	sing	0.00Å	1.10Å
C40	H401	sing	0.00Å	1.10Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C34	C33	C32	124.0°	90.0°
C33	C34	C35	121.3°	90.0°
C33	C34	H34	119.3°	90.0°
C34	C33	H33	118.0°	90.0°
C33	C32	N10	125.8°	90.0°
C33	C32	C29	116.3°	90.0°
C32	C33	H33	118.0°	90.0°
C34	C35	N11	122.2°	90.0°
C34	C35	C36	117.1°	90.0°
C35	C34	H34	119.4°	90.0°
C32	N10	C31	117.7°	90.0°
N10	C32	C29	117.9°	90.0°
N10	C31	C30	123.8°	90.0°
N10	C31	H31	118.1°	90.0°
C32	C29	C36	119.6°	90.0°
C32	C29	N9	122.7°	90.0°
N11	C35	C36	120.7°	90.0°
C35	N11	C37	116.5°	90.0°
C35	C36	C29	121.7°	90.0°
C35	C36	N12	121.9°	90.0°
N11	C37	C38	121.8°	90.0°
N11	C37	H37	119.1°	90.0°
C31	C30	N9	123.0°	90.0°
C30	C31	H31	118.1°	90.0°
C31	C30	H30	118.5°	90.0°
C36	C29	N9	117.7°	90.0°
C29	C36	N12	116.3°	90.0°
C29	N9	C30	114.7°	90.0°
C29	N9	RU	112.0°	90.0°
C36	N12	C38	114.6°	90.0°
C36	N12	RU	112.3°	90.0°
C37	C38	N12	124.3°	90.0°
C38	C37	H37	119.1°	90.0°
C37	C38	H38	117.8°	90.0°
C30	N9	RU	133.2°	90.0°
N9	C30	H30	118.5°	90.0°
N9	RU	N12	81.7°	90.0°
N9	RU	N8	93.4°	90.0°
N9	RU	N2	92.8°	90.0°
N9	RU	N1	92.7°	90.0°
N9	RU	N5	173.6°	90.0°
C38	N12	RU	133.0°	90.0°
N12	C38	H38	117.9°	90.0°
N12	RU	N8	89.4°	90.0°
N12	RU	N2	95.4°	90.0°
N12	RU	N1	172.8°	90.0°
N12	RU	N5	93.9°	90.0°
C27	C28	N8	121.9°	90.0°
C28	C27	N7	122.3°	90.0°
C27	C28	H28	119.1°	90.0°
C28	C27	H27	118.8°	90.0°
C28	N8	RU	132.9°	90.0°
C28	N8	C26	115.9°	90.0°
N8	C28	H28	119.1°	90.0°
C27	N7	C25	118.1°	90.0°
N7	C27	H27	118.8°	90.0°
C3	C2	N2	122.2°	90.0°
C2	C3	C4	119.5°	90.0°
C3	C2	H2	118.9°	90.0°
C2	C3	H3	120.2°	90.0°
C2	N2	RU	128.1°	90.0°
C2	N2	C1	118.1°	90.0°
N2	C2	H2	118.9°	90.0°
RU	N8	C26	111.2°	90.0°
N8	RU	N2	172.7°	90.0°
N8	RU	N1	95.5°	90.0°
N8	RU	N5	81.9°	90.0°
N8	C26	C25	121.2°	90.0°
N8	C26	C19	117.6°	90.0°
N2	RU	N1	80.3°	90.0°
N2	RU	N5	92.2°	90.0°
RU	N2	C1	113.4°	90.0°
N1	RU	N5	92.0°	90.0°
RU	N1	C10	112.9°	90.0°
RU	N1	C12	129.2°	90.0°
RU	N5	C19	111.8°	90.0°
RU	N5	C20	132.7°	90.0°
N7	C25	C26	120.5°	90.0°
N7	C25	C24	122.4°	90.0°
C3	C4	C5	120.1°	90.0°
C4	C3	H3	120.3°	90.0°
C3	C4	H4	120.0°	90.0°
N2	C1	C5	122.2°	90.0°
N2	C1	C10	116.7°	90.0°
C25	C26	C19	121.1°	90.0°
C26	C25	C24	117.1°	90.0°
C26	C19	N5	117.4°	90.0°
C26	C19	C22	121.2°	90.0°
C25	C24	C23	122.8°	90.0°
C25	C24	H24	118.6°	90.0°
C4	C5	C1	117.8°	90.0°
C4	C5	C6	124.2°	90.0°
C5	C4	H4	120.0°	90.0°
C5	C1	C10	121.1°	90.0°
C1	C5	C6	117.9°	90.0°
C1	C10	N1	116.6°	90.0°
C1	C10	C8	122.2°	90.0°
C10	N1	C12	117.8°	90.0°
N1	C10	C8	121.2°	90.0°
N1	C12	C11	123.8°	90.0°
N1	C12	H12	118.1°	90.0°
C5	C6	N3	117.8°	90.0°
C5	C6	C7	120.8°	90.0°
C19	N5	C20	115.4°	90.0°
N5	C19	C22	121.4°	90.0°
N5	C20	C21	122.8°	90.0°
N5	C20	H20	118.6°	90.0°
C10	C8	C9	119.2°	90.0°
C10	C8	C7	118.5°	90.0°
C12	C11	C9	118.8°	90.0°
C11	C12	H12	118.1°	90.0°
C12	C11	H11	120.6°	90.0°
C19	C22	C23	117.7°	90.0°
C19	C22	N6	122.8°	90.0°
C24	C23	C22	120.0°	90.0°
C23	C24	H24	118.6°	90.0°
C24	C23	H23	120.0°	90.0°
C20	C21	N6	123.6°	90.0°
C20	C21	H21	118.2°	90.0°
C21	C20	H20	118.6°	90.0°
N3	C6	C7	121.5°	90.0°
C6	N3	C15	117.0°	90.0°
C6	C7	C8	119.5°	90.0°
C6	C7	N4	120.3°	90.0°
C11	C9	C8	119.1°	90.0°
C9	C11	H11	120.6°	90.0°
C11	C9	H9	120.4°	90.0°
C9	C8	C7	122.3°	90.0°
C8	C9	H9	120.4°	90.0°
C8	C7	N4	120.2°	90.0°
C23	C22	N6	119.5°	90.0°
C22	C23	H23	120.0°	90.0°
C22	N6	C21	114.0°	90.0°
N3	C15	C16	118.3°	90.0°
N3	C15	C13	120.8°	90.0°
C7	N4	C13	119.5°	90.0°
N6	C21	H21	118.2°	90.0°
C40	C16	C15	118.4°	90.0°
C40	C16	C17	123.9°	90.0°
C16	C40	H40	109.5°	90.0°
C16	C40	H402	109.4°	90.0°
C16	C40	H401	109.5°	90.0°
C16	C15	C13	120.9°	90.0°
C15	C16	C17	117.6°	90.0°
C15	C13	N4	121.1°	90.0°
C15	C13	C14	120.5°	90.0°
N4	C13	C14	118.4°	90.0°
C16	C17	C18	123.9°	90.0°
C16	C17	H17	118.1°	90.0°
C13	C14	C18	118.6°	90.0°
C13	C14	H14	120.7°	90.0°
C17	C18	C14	118.4°	90.0°
C17	C18	C39	121.6°	90.0°
C18	C17	H17	118.1°	90.0°
C14	C18	C39	120.0°	90.0°
C18	C14	H14	120.7°	90.0°
C18	C39	H392	109.5°	90.0°
C18	C39	H39	109.5°	90.0°
C18	C39	H391	109.5°	90.0°
H392	C39	H39	109.5°	90.0°
H392	C39	H391	109.4°	90.0°
H39	C39	H391	109.5°	90.0°
H40	C40	H402	109.5°	90.0°
H40	C40	H401	109.4°	90.0°
H402	C40	H401	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C34	C33	C32	H33	180.0°	90.0°
C33	C34	C35	H34	180.0°	90.0°
C34	C33	C32	N10	176.4°	90.0°
C34	C33	C32	C29	1.0°	90.0°
C33	C34	C35	N11	178.8°	90.0°
C33	C34	C35	C36	1.4°	90.0°
C32	C33	C34	C35	0.7°	90.0°
C33	C32	N10	C29	177.4°	90.0°
C33	C32	N10	C31	176.8°	90.0°
C33	C32	C29	C36	0.7°	90.0°
C33	C32	C29	N9	179.3°	90.0°
C32	C33	C34	H34	179.4°	90.0°
C34	C35	N11	C36	179.8°	90.0°
C34	C35	N11	C37	177.7°	90.0°
C34	C35	C36	C29	3.1°	90.0°
C34	C35	C36	N12	179.9°	90.0°
C35	C34	C33	H33	179.4°	90.0°
C32	N10	C31	C30	3.1°	90.0°
N10	C32	C29	C36	178.4°	90.0°
N10	C32	C29	N9	3.1°	90.0°
N10	C32	C33	H33	3.5°	90.0°
C32	N10	C31	H31	176.9°	90.0°
C31	N10	C32	C29	0.6°	90.0°
N10	C31	C30	H31	180.0°	90.0°
N10	C31	C30	N9	2.0°	90.0°
N10	C31	C30	H30	178.0°	90.0°
C32	C29	C36	C35	2.8°	90.0°
C32	C29	C36	N9	178.6°	90.0°
C32	C29	C36	N12	179.9°	90.0°
C32	C29	N9	C30	4.1°	90.0°
C32	C29	N9	RU	178.3°	90.0°
C29	C32	C33	H33	179.0°	90.0°
N11	C35	C36	C29	177.0°	90.0°
N11	C35	C36	N12	0.1°	90.0°
C35	N11	C37	C38	1.3°	90.0°
C35	N11	C37	H37	178.8°	90.0°
N11	C35	C34	H34	1.2°	90.0°
C36	C35	N11	C37	2.1°	90.0°
C35	C36	C29	N12	177.1°	90.0°
C35	C36	C29	N9	178.5°	90.0°
C35	C36	N12	C38	3.2°	90.0°
C35	C36	N12	RU	179.5°	90.0°
C36	C35	C34	H34	178.6°	90.0°
N11	C37	C38	H37	180.0°	90.0°
N11	C37	C38	N12	2.2°	90.0°
N11	C37	C38	H38	177.8°	90.0°
C31	C30	N9	C29	1.7°	90.0°
C31	C30	N9	H30	180.0°	90.0°
C31	C30	N9	RU	178.6°	90.0°
C36	C29	N9	C30	177.4°	90.0°
C36	C29	N9	RU	0.2°	90.0°
C29	C36	N12	C38	179.7°	90.0°
C29	C36	N12	RU	2.4°	90.0°
N9	C29	C36	N12	1.5°	90.0°
C29	N9	C30	RU	176.9°	90.0°
C29	N9	RU	N12	1.2°	90.0°
C29	N9	RU	N8	90.1°	90.0°
C29	N9	RU	N2	93.9°	90.0°
C29	N9	RU	N1	174.3°	90.0°
C29	N9	RU	N5	47.6°	90.0°
C29	N9	C30	H30	178.3°	90.0°
C36	N12	C38	C37	4.2°	90.0°
C36	N12	RU	N9	1.9°	90.0°
C36	N12	C38	RU	176.6°	90.0°
C36	N12	RU	N8	95.4°	90.0°
C36	N12	RU	N2	90.1°	90.0°
C36	N12	RU	N1	37.3°	90.0°
C36	N12	RU	N5	177.3°	90.0°
C36	N12	C38	H38	175.8°	90.0°
C37	C38	N12	H38	180.0°	90.0°
C37	C38	N12	RU	179.2°	90.0°
C30	N9	RU	N12	175.8°	90.0°
C30	N9	RU	N8	86.9°	90.0°
C30	N9	RU	N2	89.1°	90.0°
C30	N9	RU	N1	8.7°	90.0°
C30	N9	RU	N5	129.4°	90.0°
N9	C30	C31	H31	178.0°	90.0°
N9	RU	N12	C38	178.6°	90.0°
N9	RU	N12	N8	93.5°	90.0°
N9	RU	N12	N2	92.0°	90.0°
N9	RU	N12	N1	39.3°	90.0°
N9	RU	N12	N5	175.3°	90.0°
N9	RU	N8	C28	9.4°	90.0°
N9	RU	N2	C2	93.3°	90.0°
N9	RU	N8	N2	147.5°	90.0°
N9	RU	N8	N1	93.1°	90.0°
N9	RU	N8	N5	175.6°	90.0°
N9	RU	N8	C26	173.0°	90.0°
N9	RU	N2	N1	92.3°	90.0°
N9	RU	N2	N5	176.0°	90.0°
N9	RU	N1	N5	175.7°	90.0°
N9	RU	N2	C1	93.9°	90.0°
N9	RU	N1	C10	91.8°	90.0°
N9	RU	N1	C12	83.2°	90.0°
N9	RU	N5	C19	40.1°	90.0°
N9	RU	N5	C20	135.0°	90.0°
RU	N9	C30	H30	1.4°	90.0°
C38	N12	RU	N8	87.9°	90.0°
C38	N12	RU	N2	86.5°	90.0°
C38	N12	RU	N1	139.3°	90.0°
C38	N12	RU	N5	6.1°	90.0°
N12	C38	C37	H37	177.8°	90.0°
N12	RU	N8	C28	91.1°	90.0°
N12	RU	N2	C2	11.4°	90.0°
N12	RU	N8	N2	130.9°	90.0°
N12	RU	N8	N1	174.7°	90.0°
N12	RU	N8	N5	94.0°	90.0°
N12	RU	N8	C26	91.3°	90.0°
N12	RU	N2	N1	174.2°	90.0°
N12	RU	N2	N5	94.1°	90.0°
N12	RU	N1	N5	145.5°	90.0°
N12	RU	N2	C1	175.8°	90.0°
N12	RU	N1	C10	53.0°	90.0°
N12	RU	N1	C12	122.0°	90.0°
N12	RU	N5	C19	86.0°	90.0°
N12	RU	N5	C20	89.1°	90.0°
RU	N12	C38	H38	0.8°	90.0°
C27	C28	N8	H28	180.0°	90.0°
C28	C27	N7	H27	180.0°	90.0°
C27	C28	N8	RU	179.9°	90.0°
C27	C28	N8	C26	2.6°	90.0°
C28	C27	N7	C25	0.8°	90.0°
N8	C28	C27	N7	1.2°	90.0°
C28	N8	RU	C26	177.6°	90.0°
C28	N8	RU	N2	138.0°	90.0°
C28	N8	RU	N1	83.7°	90.0°
C28	N8	RU	N5	175.0°	90.0°
C28	N8	C26	C25	2.3°	90.0°
C28	N8	C26	C19	175.9°	90.0°
N8	C28	C27	H27	178.9°	90.0°
C27	N7	C25	C26	1.1°	90.0°
C27	N7	C25	C24	179.2°	90.0°
N7	C27	C28	H28	178.8°	90.0°
C3	C2	N2	H2	180.0°	90.0°
C3	C2	N2	RU	174.7°	90.0°
C2	C3	C4	H3	180.0°	90.0°
C3	C2	N2	C1	2.2°	90.0°
C2	C3	C4	C5	1.0°	90.0°
C2	C3	C4	H4	179.0°	90.0°
C2	N2	RU	N8	119.3°	90.0°
C2	N2	RU	C1	172.8°	90.0°
C2	N2	RU	N1	174.4°	90.0°
C2	N2	RU	N5	82.7°	90.0°
N2	C2	C3	C4	0.2°	90.0°
C2	N2	C1	C5	3.0°	90.0°
C2	N2	C1	C10	177.1°	90.0°
N2	C2	C3	H3	179.8°	90.0°
N8	RU	N2	N1	55.2°	90.0°
N8	RU	N2	N5	36.5°	90.0°
N8	RU	N1	N5	82.1°	90.0°
N8	RU	N2	C1	53.5°	90.0°
RU	N8	C26	C25	179.7°	90.0°
RU	N8	C26	C19	2.1°	90.0°
N8	RU	N1	C10	174.5°	90.0°
N8	RU	N1	C12	10.5°	90.0°
N8	RU	N5	C19	2.8°	90.0°
N8	RU	N5	C20	177.9°	90.0°
RU	N8	C28	H28	0.1°	90.0°
C26	N8	RU	N2	39.6°	90.0°
C26	N8	RU	N1	93.9°	90.0°
C26	N8	RU	N5	2.6°	90.0°
N8	C26	C25	N7	0.4°	90.0°
N8	C26	C25	C19	178.1°	90.0°
N8	C26	C25	C24	177.8°	90.0°
N8	C26	C19	N5	0.2°	90.0°
N8	C26	C19	C22	178.1°	90.0°
C26	N8	C28	H28	177.4°	90.0°
N2	RU	N1	N5	91.9°	90.0°
RU	N2	C1	C5	176.6°	90.0°
RU	N2	C1	C10	3.6°	90.0°
N2	RU	N1	C10	0.5°	90.0°
N2	RU	N1	C12	175.6°	90.0°
N2	RU	N5	C19	178.4°	90.0°
N2	RU	N5	C20	6.5°	90.0°
RU	N2	C2	H2	5.3°	90.0°
N1	RU	N2	C1	1.6°	90.0°
RU	N1	C10	C1	2.6°	90.0°
RU	N1	C10	C12	175.6°	90.0°
N1	RU	N5	C19	98.0°	90.0°
N1	RU	N5	C20	86.8°	90.0°
RU	N1	C10	C8	178.8°	90.0°
RU	N1	C12	C11	177.0°	90.0°
RU	N1	C12	H12	3.0°	90.0°
N5	RU	N2	C1	90.1°	90.0°
RU	N5	C19	C26	2.5°	90.0°
N5	RU	N1	C10	92.5°	90.0°
N5	RU	N1	C12	92.5°	90.0°
RU	N5	C19	C20	176.1°	90.0°
RU	N5	C19	C22	175.9°	90.0°
RU	N5	C20	C21	176.2°	90.0°
RU	N5	C20	H20	3.8°	90.0°
N7	C25	C26	C24	178.2°	90.0°
N7	C25	C26	C19	177.7°	90.0°
N7	C25	C24	C23	179.0°	90.0°
C25	N7	C27	H27	179.2°	90.0°
N7	C25	C24	H24	1.0°	90.0°
C3	C4	C5	H4	180.0°	90.0°
C3	C4	C5	C1	0.1°	90.0°
C3	C4	C5	C6	178.9°	90.0°
C4	C3	C2	H2	179.8°	90.0°
N2	C1	C5	C4	1.9°	90.0°
N2	C1	C5	C10	179.8°	90.0°
N2	C1	C10	N1	4.2°	90.0°
N2	C1	C5	C6	177.0°	90.0°
N2	C1	C10	C8	177.3°	90.0°
C1	N2	C2	H2	177.9°	90.0°
C25	C26	C19	N5	178.0°	90.0°
C25	C26	C19	C22	3.7°	90.0°
C26	C25	C24	C23	2.8°	90.0°
C26	C25	C24	H24	177.2°	90.0°
C19	C26	C25	C24	4.1°	90.0°
C26	C19	N5	C22	178.3°	90.0°
C26	C19	N5	C20	178.5°	90.0°
C26	C19	C22	C23	1.8°	90.0°
C26	C19	C22	N6	179.6°	90.0°
C25	C24	C23	H24	180.0°	90.0°
C25	C24	C23	C22	1.1°	90.0°
C25	C24	C23	H23	178.9°	90.0°
C4	C5	C1	C6	178.9°	90.0°
C4	C5	C1	C10	178.3°	90.0°
C4	C5	C6	N3	0.6°	90.0°
C4	C5	C6	C7	179.4°	90.0°
C5	C4	C3	H3	179.0°	90.0°
C5	C1	C10	N1	176.0°	90.0°
C5	C1	C10	C8	2.5°	90.0°
C1	C5	C6	N3	179.4°	90.0°
C1	C5	C6	C7	0.6°	90.0°
C1	C5	C4	H4	179.8°	90.0°
C1	C10	N1	C8	178.6°	90.0°
C1	C10	N1	C12	178.3°	90.0°
C10	C1	C5	C6	2.9°	90.0°
C1	C10	C8	C9	177.8°	90.0°
C1	C10	C8	C7	0.2°	90.0°
C10	N1	C12	C11	2.1°	90.0°
N1	C10	C8	C9	3.7°	90.0°
N1	C10	C8	C7	178.7°	90.0°
C10	N1	C12	H12	177.8°	90.0°
C12	N1	C10	C8	3.2°	90.0°
N1	C12	C11	H12	180.0°	90.0°
N1	C12	C11	C9	1.6°	90.0°
N1	C12	C11	H11	178.4°	90.0°
C5	C6	N3	C7	179.9°	90.0°
C5	C6	C7	C8	2.1°	90.0°
C5	C6	N3	C15	179.2°	90.0°
C5	C6	C7	N4	179.4°	90.0°
C6	C5	C4	H4	1.0°	90.0°
C19	N5	C20	C21	1.2°	90.0°
N5	C19	C22	C23	180.0°	90.0°
N5	C19	C22	N6	1.3°	90.0°
C19	N5	C20	H20	178.8°	90.0°
C20	N5	C19	C22	0.2°	90.0°
N5	C20	C21	H20	180.0°	90.0°
N5	C20	C21	N6	1.6°	90.0°
N5	C20	C21	H21	178.4°	90.0°
C10	C8	C7	C6	2.5°	90.0°
C10	C8	C9	C11	3.0°	90.0°
C10	C8	C9	C7	177.6°	90.0°
C10	C8	C7	N4	179.8°	90.0°
C10	C8	C9	H9	177.0°	90.0°
C12	C11	C9	H11	180.0°	90.0°
C12	C11	C9	C8	2.0°	90.0°
C12	C11	C9	H9	178.1°	90.0°
C19	C22	C23	C24	0.5°	90.0°
C19	C22	C23	N6	178.7°	90.0°
C19	C22	N6	C21	1.0°	90.0°
C19	C22	C23	H23	179.6°	90.0°
C24	C23	C22	H23	180.0°	90.0°
C24	C23	C22	N6	179.1°	90.0°
C20	C21	N6	C22	0.4°	90.0°
C20	C21	N6	H21	180.0°	90.0°
N3	C6	C7	C8	178.0°	90.0°
N3	C6	C7	N4	0.6°	90.0°
C6	N3	C15	C16	179.2°	90.0°
C6	N3	C15	C13	0.6°	90.0°
C6	C7	C8	C9	180.0°	90.0°
C6	C7	C8	N4	177.4°	90.0°
C7	C6	N3	C15	0.8°	90.0°
C6	C7	N4	C13	0.1°	90.0°
C11	C9	C8	H9	180.0°	90.0°
C11	C9	C8	C7	179.4°	90.0°
C9	C11	C12	H12	178.4°	90.0°
C9	C8	C7	N4	2.6°	90.0°
C8	C9	C11	H11	178.0°	90.0°
C8	C7	N4	C13	177.5°	90.0°
C7	C8	C9	H9	0.5°	90.0°
C23	C22	N6	C21	179.6°	90.0°
C22	C23	C24	H24	178.9°	90.0°
N6	C22	C23	H23	0.9°	90.0°
C22	N6	C21	H21	179.6°	90.0°
N3	C15	C16	C40	1.0°	90.0°
N3	C15	C16	C13	178.6°	90.0°
N3	C15	C13	N4	0.1°	90.0°
N3	C15	C16	C17	179.2°	90.0°
N3	C15	C13	C14	179.2°	90.0°
C7	N4	C13	C15	0.1°	90.0°
C7	N4	C13	C14	179.0°	90.0°
N6	C21	C20	H20	178.4°	90.0°
C40	C16	C15	C17	178.2°	90.0°
C40	C16	C15	C13	179.5°	90.0°
C40	C16	C17	C18	179.7°	90.0°
C40	C16	C17	H17	0.3°	90.0°
C16	C40	H40	H402	120.0°	90.0°
C16	C40	H40	H401	120.0°	90.0°
C16	C40	H402	H401	120.0°	90.0°
C16	C15	C13	N4	178.7°	90.0°
C16	C15	C13	C14	2.3°	90.0°
C15	C16	C17	C18	2.2°	90.0°
C15	C16	C17	H17	177.7°	90.0°
C15	C16	C40	H40	90.8°	90.0°
C15	C16	C40	H402	149.1°	90.0°
C15	C16	C40	H401	29.1°	90.0°
C15	C13	N4	C14	179.1°	90.0°
C13	C15	C16	C17	2.3°	90.0°
C15	C13	C14	C18	2.1°	90.0°
C15	C13	C14	H14	177.9°	90.0°
N4	C13	C14	C18	178.8°	90.0°
N4	C13	C14	H14	1.2°	90.0°
C16	C17	C18	H17	180.0°	90.0°
C16	C17	C18	C14	2.1°	90.0°
C16	C17	C18	C39	179.1°	90.0°
C17	C16	C40	H40	91.1°	90.0°
C17	C16	C40	H402	29.0°	90.0°
C17	C16	C40	H401	148.9°	90.0°
C13	C14	C18	C17	1.9°	90.0°
C13	C14	C18	H14	180.0°	90.0°
C13	C14	C18	C39	179.2°	90.0°
C17	C18	C14	C39	178.8°	90.0°
C17	C18	C14	H14	178.1°	90.0°
C17	C18	C39	H392	90.6°	90.0°
C17	C18	C39	H39	149.4°	90.0°
C17	C18	C39	H391	29.4°	90.0°
C14	C18	C17	H17	177.9°	90.0°
C14	C18	C39	H392	90.6°	90.0°
C14	C18	C39	H39	29.4°	90.0°
C14	C18	C39	H391	149.4°	90.0°
C39	C18	C17	H17	1.0°	90.0°
C39	C18	C14	H14	0.8°	90.0°
C18	C39	H392	H39	120.0°	90.0°
C18	C39	H392	H391	120.0°	90.0°
C18	C39	H39	H391	120.0°	90.0°
H37	C37	C38	H38	2.2°	90.0°
H34	C34	C33	H33	0.6°	90.0°
H31	C31	C30	H30	2.0°	90.0°
H12	C12	C11	H11	1.6°	90.0°
H11	C11	C9	H9	2.0°	90.0°
H28	C28	C27	H27	1.1°	90.0°
H24	C24	C23	H23	1.1°	90.0°
H21	C21	C20	H20	1.6°	90.0°
H2	C2	C3	H3	0.2°	90.0°
H3	C3	C4	H4	1.0°	90.0°
H392	C39	H39	H391	119.9°	90.0°
H40	C40	H402	H401	120.0°	90.0°

Release date:	2015-05-13
Definition date:	2014-11-25
Last modified:	2015-05-08
Release status:	REL
Processing site:	EBI
Derived from:	4X1A