RML

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C23	C24	doub	0.00Å	1.39Å	Aromatic
C23	C22	sing	0.00Å	1.42Å	Aromatic
C24	C25	sing	0.00Å	1.44Å	Aromatic
N6	C22	doub	0.00Å	1.29Å	Aromatic
N6	C21	sing	0.00Å	1.32Å	Aromatic
C22	C19	sing	0.00Å	1.48Å	Aromatic
C25	N7	doub	0.00Å	1.32Å	Aromatic
C25	C26	sing	0.00Å	1.44Å	Aromatic
N7	C27	sing	0.00Å	1.33Å	Aromatic
C21	C20	doub	0.00Å	1.43Å	Aromatic
C19	C26	sing	0.00Å	1.43Å	Aromatic
C19	N5	doub	0.00Å	1.37Å	Aromatic
C26	N8	doub	0.00Å	1.42Å	Aromatic
C27	C28	doub	0.00Å	1.43Å	Aromatic
C20	N5	sing	0.00Å	1.35Å	Aromatic
N5	RU	sing	0.00Å	2.02Å
N8	C28	sing	0.00Å	1.31Å	Aromatic
N8	RU	sing	0.00Å	2.04Å
C38	C37	doub	0.00Å	1.42Å	Aromatic
C38	N12	sing	0.00Å	1.29Å	Aromatic
C37	N11	sing	0.00Å	1.35Å	Aromatic
C12	N1	doub	0.00Å	1.37Å	Aromatic
C12	C11	sing	0.00Å	1.45Å	Aromatic
N12	RU	sing	0.00Å	2.03Å
N12	C36	doub	0.00Å	1.34Å	Aromatic
RU	N1	sing	0.00Å	2.01Å
RU	N2	sing	0.00Å	2.04Å
RU	N9	sing	0.00Å	1.98Å
N1	C10	sing	0.00Å	1.36Å	Aromatic
C11	C9	doub	0.00Å	1.37Å	Aromatic
N11	C35	doub	0.00Å	1.35Å	Aromatic
C36	C35	sing	0.00Å	1.43Å	Aromatic
C36	C29	sing	0.00Å	1.43Å	Aromatic
C9	C8	sing	0.00Å	1.38Å	Aromatic
C10	C8	doub	0.00Å	1.45Å	Aromatic
C10	C1	sing	0.00Å	1.43Å	Aromatic
C35	C34	sing	0.00Å	1.42Å	Aromatic
N2	C2	doub	0.00Å	1.28Å	Aromatic
N2	C1	sing	0.00Å	1.39Å	Aromatic
C2	C3	sing	0.00Å	1.37Å	Aromatic
C8	C7	sing	0.00Å	1.44Å	Aromatic
C1	C5	doub	0.00Å	1.43Å	Aromatic
N9	C29	doub	0.00Å	1.36Å	Aromatic
N9	C30	sing	0.00Å	1.29Å	Aromatic
C29	C32	sing	0.00Å	1.43Å	Aromatic
C34	C33	doub	0.00Å	1.37Å	Aromatic
C3	C4	doub	0.00Å	1.40Å	Aromatic
C7	N4	doub	0.00Å	1.38Å	Aromatic
C7	C6	sing	0.00Å	1.42Å	Aromatic
C30	C31	doub	0.00Å	1.47Å	Aromatic
C5	C4	sing	0.00Å	1.40Å	Aromatic
C5	C6	sing	0.00Å	1.45Å	Aromatic
N4	C13	sing	0.00Å	1.36Å	Aromatic
C6	N3	doub	0.00Å	1.37Å	Aromatic
C32	C33	sing	0.00Å	1.42Å	Aromatic
C32	N10	doub	0.00Å	1.31Å	Aromatic
C31	N10	sing	0.00Å	1.35Å	Aromatic
C13	C14	doub	0.00Å	1.42Å	Aromatic
C13	C15	sing	0.00Å	1.39Å	Aromatic
N3	C15	sing	0.00Å	1.36Å	Aromatic
C14	C18	sing	0.00Å	1.39Å	Aromatic
C15	C16	doub	0.00Å	1.39Å	Aromatic
C18	C52	sing	0.00Å	1.54Å
C18	C17	doub	0.00Å	1.39Å	Aromatic
C16	C17	sing	0.00Å	1.40Å	Aromatic
C17	C53	sing	0.00Å	1.53Å
C53	H1	sing	0.00Å	1.10Å
C53	H2	sing	0.00Å	1.10Å
C53	H3	sing	0.00Å	1.10Å
C52	H4	sing	0.00Å	1.10Å
C52	H5	sing	0.00Å	1.10Å
C52	H6	sing	0.00Å	1.10Å
C14	H7	sing	0.00Å	1.08Å
C16	H8	sing	0.00Å	1.08Å
C4	H9	sing	0.00Å	1.08Å
C3	H10	sing	0.00Å	1.08Å
C2	H11	sing	0.00Å	1.08Å
C12	H12	sing	0.00Å	1.08Å
C11	H13	sing	0.00Å	1.08Å
C9	H14	sing	0.00Å	1.08Å
C28	H15	sing	0.00Å	1.08Å
C27	H16	sing	0.00Å	1.08Å
C24	H17	sing	0.00Å	1.08Å
C23	H18	sing	0.00Å	1.08Å
C20	H19	sing	0.00Å	1.08Å
C21	H20	sing	0.00Å	1.08Å
C38	H21	sing	0.00Å	1.08Å
C37	H22	sing	0.00Å	1.08Å
C30	H23	sing	0.00Å	1.08Å
C31	H24	sing	0.00Å	1.08Å
C34	H25	sing	0.00Å	1.08Å
C33	H26	sing	0.00Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C24	C23	C22	122.1°	90.0°
C23	C24	C25	122.2°	90.0°
C23	C24	H17	118.9°	90.0°
C24	C23	H18	118.9°	90.0°
C23	C22	N6	127.3°	90.0°
C23	C22	C19	116.6°	90.0°
C22	C23	H18	118.9°	90.0°
C24	C25	N7	124.1°	90.0°
C24	C25	C26	117.8°	90.0°
C25	C24	H17	118.9°	90.0°
C22	N6	C21	125.6°	90.0°
N6	C22	C19	116.1°	90.0°
N6	C21	C20	117.5°	90.0°
N6	C21	H20	121.3°	90.0°
C22	C19	C26	120.9°	90.0°
C22	C19	N5	121.2°	90.0°
N7	C25	C26	117.9°	90.0°
C25	N7	C27	120.5°	90.0°
C25	C26	C19	120.2°	90.0°
C25	C26	N8	122.2°	90.0°
N7	C27	C28	122.2°	90.0°
N7	C27	H16	118.9°	90.0°
C21	C20	N5	121.9°	90.0°
C21	C20	H19	119.0°	90.0°
C20	C21	H20	121.2°	90.0°
C26	C19	N5	117.8°	90.0°
C19	C26	N8	117.5°	90.0°
C19	N5	C20	116.4°	90.0°
C19	N5	RU	111.3°	90.0°
C26	N8	C28	115.6°	90.0°
C26	N8	RU	108.4°	90.0°
C27	C28	N8	120.9°	90.0°
C27	C28	H15	119.5°	90.0°
C28	C27	H16	118.9°	90.0°
C20	N5	RU	131.2°	90.0°
N5	C20	H19	119.1°	90.0°
N5	RU	N8	84.7°	90.0°
N5	RU	N12	94.2°	90.0°
N5	RU	N1	88.9°	90.0°
N5	RU	N2	92.6°	90.0°
N5	RU	N9	176.7°	90.0°
C28	N8	RU	135.2°	90.0°
N8	C28	H15	119.6°	90.0°
N8	RU	N12	87.2°	90.0°
N8	RU	N1	94.7°	90.0°
N8	RU	N2	176.2°	90.0°
N8	RU	N9	92.6°	90.0°
C37	C38	N12	121.2°	90.0°
C38	C37	N11	121.8°	90.0°
C37	C38	H21	119.4°	90.0°
C38	C37	H22	119.1°	90.0°
C38	N12	RU	134.0°	90.0°
C38	N12	C36	117.0°	90.0°
N12	C38	H21	119.4°	90.0°
C37	N11	C35	117.7°	90.0°
N11	C37	H22	119.1°	90.0°
N1	C12	C11	121.0°	90.0°
C12	N1	RU	128.6°	90.0°
C12	N1	C10	116.6°	90.0°
N1	C12	H12	119.5°	90.0°
C12	C11	C9	120.7°	90.0°
C11	C12	H12	119.5°	90.0°
C12	C11	H13	119.7°	90.0°
RU	N12	C36	108.7°	90.0°
N12	RU	N1	176.6°	90.0°
N12	RU	N2	95.6°	90.0°
N12	RU	N9	83.9°	90.0°
N12	C36	C35	124.1°	90.0°
N12	C36	C29	119.5°	90.0°
N1	RU	N2	82.7°	90.0°
N1	RU	N9	93.1°	90.0°
RU	N1	C10	112.6°	90.0°
N2	RU	N9	90.2°	90.0°
RU	N2	C2	129.9°	90.0°
RU	N2	C1	110.0°	90.0°
RU	N9	C29	111.8°	90.0°
RU	N9	C30	132.9°	90.0°
N1	C10	C8	123.7°	90.0°
N1	C10	C1	115.9°	90.0°
C11	C9	C8	119.2°	90.0°
C9	C11	H13	119.7°	90.0°
C11	C9	H14	120.4°	90.0°
N11	C35	C36	117.6°	90.0°
N11	C35	C34	121.8°	90.0°
C35	C36	C29	116.1°	90.0°
C36	C35	C34	120.6°	90.0°
C36	C29	N9	115.5°	90.0°
C36	C29	C32	121.4°	90.0°
C9	C8	C10	118.0°	90.0°
C9	C8	C7	123.7°	90.0°
C8	C9	H14	120.4°	90.0°
C8	C10	C1	120.2°	90.0°
C10	C8	C7	118.3°	90.0°
C10	C1	N2	117.6°	90.0°
C10	C1	C5	120.7°	90.0°
C35	C34	C33	123.7°	90.0°
C35	C34	H25	118.1°	90.0°
C2	N2	C1	118.6°	90.0°
N2	C2	C3	124.5°	90.0°
N2	C2	H11	117.8°	90.0°
N2	C1	C5	121.1°	90.0°
C2	C3	C4	118.6°	90.0°
C2	C3	H10	120.7°	90.0°
C3	C2	H11	117.7°	90.0°
C8	C7	N4	118.0°	90.0°
C8	C7	C6	122.1°	90.0°
C1	C5	C4	115.8°	90.0°
C1	C5	C6	119.4°	90.0°
C29	N9	C30	114.2°	90.0°
N9	C29	C32	122.9°	90.0°
N9	C30	C31	123.3°	90.0°
N9	C30	H23	118.3°	90.0°
C29	C32	C33	121.1°	90.0°
C29	C32	N10	122.9°	90.0°
C34	C33	C32	116.8°	90.0°
C33	C34	H25	118.1°	90.0°
C34	C33	H26	121.6°	90.0°
C3	C4	C5	120.2°	90.0°
C3	C4	H9	119.9°	90.0°
C4	C3	H10	120.7°	90.0°
N4	C7	C6	119.9°	90.0°
C7	N4	C13	118.6°	90.0°
C7	C6	C5	119.1°	90.0°
C7	C6	N3	120.0°	90.0°
C30	C31	N10	121.3°	90.0°
C31	C30	H23	118.4°	90.0°
C30	C31	H24	119.3°	90.0°
C4	C5	C6	124.6°	90.0°
C5	C4	H9	119.9°	90.0°
C5	C6	N3	120.8°	90.0°
N4	C13	C14	116.9°	90.0°
N4	C13	C15	121.8°	90.0°
C6	N3	C15	119.2°	90.0°
C33	C32	N10	116.0°	90.0°
C32	C33	H26	121.6°	90.0°
C32	N10	C31	115.0°	90.0°
N10	C31	H24	119.3°	90.0°
C14	C13	C15	121.2°	90.0°
C13	C14	C18	114.6°	90.0°
C13	C14	H7	122.7°	90.0°
C13	C15	N3	120.3°	90.0°
C13	C15	C16	124.6°	90.0°
N3	C15	C16	115.1°	90.0°
C14	C18	C52	114.6°	90.0°
C14	C18	C17	122.7°	90.0°
C18	C14	H7	122.7°	90.0°
C15	C16	C17	113.5°	90.0°
C15	C16	H8	123.2°	90.0°
C52	C18	C17	122.7°	90.0°
C18	C52	H4	109.5°	90.0°
C18	C52	H5	109.5°	90.0°
C18	C52	H6	109.5°	90.0°
C18	C17	C16	123.2°	90.0°
C18	C17	C53	123.0°	90.0°
C16	C17	C53	113.9°	90.0°
C17	C16	H8	123.3°	90.0°
C17	C53	H1	109.5°	90.0°
C17	C53	H2	109.5°	90.0°
C17	C53	H3	109.4°	90.0°
H1	C53	H2	109.4°	90.0°
H1	C53	H3	109.5°	90.0°
H2	C53	H3	109.5°	90.0°
H4	C52	H5	109.5°	90.0°
H4	C52	H6	109.5°	90.0°
H5	C52	H6	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C24	C23	C22	H18	180.0°	90.0°
C23	C24	C25	H17	180.0°	90.0°
C24	C23	C22	N6	176.6°	90.0°
C24	C23	C22	C19	5.1°	90.0°
C23	C24	C25	N7	177.4°	90.0°
C23	C24	C25	C26	2.3°	90.0°
C22	C23	C24	C25	2.2°	90.0°
C23	C22	N6	C19	178.4°	90.0°
C23	C22	N6	C21	174.9°	90.0°
C23	C22	C19	C26	3.6°	90.0°
C23	C22	C19	N5	173.1°	90.0°
C22	C23	C24	H17	177.8°	90.0°
C24	C25	N7	C26	175.1°	90.0°
C24	C25	N7	C27	178.7°	90.0°
C24	C25	C26	C19	3.6°	90.0°
C24	C25	C26	N8	179.8°	90.0°
C25	C24	C23	H18	177.8°	90.0°
C22	N6	C21	C20	6.0°	90.0°
N6	C22	C19	C26	177.8°	90.0°
N6	C22	C19	N5	5.5°	90.0°
N6	C22	C23	H18	3.4°	90.0°
C22	N6	C21	H20	174.0°	90.0°
C21	N6	C22	C19	3.5°	90.0°
N6	C21	C20	H20	180.0°	90.0°
N6	C21	C20	N5	10.9°	90.0°
N6	C21	C20	H19	169.1°	90.0°
C22	C19	C26	C25	0.7°	90.0°
C22	C19	C26	N5	176.8°	90.0°
C22	C19	C26	N8	177.5°	90.0°
C22	C19	N5	C20	10.1°	90.0°
C22	C19	N5	RU	179.8°	90.0°
C19	C22	C23	H18	175.0°	90.0°
N7	C25	C26	C19	179.0°	90.0°
N7	C25	C26	N8	4.3°	90.0°
C25	N7	C27	C28	5.8°	90.0°
C25	N7	C27	H16	174.2°	90.0°
N7	C25	C24	H17	2.6°	90.0°
C26	C25	N7	C27	3.6°	90.0°
C25	C26	C19	N8	176.8°	90.0°
C25	C26	C19	N5	177.4°	90.0°
C25	C26	N8	C28	7.1°	90.0°
C25	C26	N8	RU	178.4°	90.0°
C26	C25	C24	H17	177.8°	90.0°
N7	C27	C28	H16	180.0°	90.0°
N7	C27	C28	N8	8.9°	90.0°
N7	C27	C28	H15	171.0°	90.0°
C21	C20	N5	C19	12.9°	90.0°
C21	C20	N5	H19	180.0°	90.0°
C21	C20	N5	RU	180.0°	90.0°
C26	C19	N5	C20	173.1°	90.0°
C26	C19	N5	RU	3.4°	90.0°
C19	C26	N8	C28	176.2°	90.0°
C19	C26	N8	RU	4.8°	90.0°
N5	C19	C26	N8	5.7°	90.0°
C19	N5	C20	RU	167.2°	90.0°
C19	N5	RU	N8	0.5°	90.0°
C19	N5	RU	N12	86.3°	90.0°
C19	N5	RU	N1	95.3°	90.0°
C19	N5	RU	N2	177.9°	90.0°
C19	N5	RU	N9	31.4°	90.0°
C19	N5	C20	H19	167.1°	90.0°
C26	N8	C28	C27	9.0°	90.0°
C26	N8	RU	N5	2.3°	90.0°
C26	N8	C28	RU	168.4°	90.0°
C26	N8	RU	N12	96.8°	90.0°
C26	N8	RU	N1	86.1°	90.0°
C26	N8	RU	N2	41.2°	90.0°
C26	N8	RU	N9	179.4°	90.0°
C26	N8	C28	H15	171.0°	90.0°
C27	C28	N8	H15	180.0°	90.0°
C27	C28	N8	RU	177.3°	90.0°
C20	N5	RU	N8	168.2°	90.0°
C20	N5	RU	N12	81.4°	90.0°
C20	N5	RU	N1	97.0°	90.0°
C20	N5	RU	N2	14.4°	90.0°
C20	N5	RU	N9	136.3°	90.0°
N5	C20	C21	H20	169.1°	90.0°
N5	RU	N8	C28	171.2°	90.0°
N5	RU	N8	N12	94.5°	90.0°
N5	RU	N8	N1	88.4°	90.0°
N5	RU	N8	N2	43.5°	90.0°
N5	RU	N8	N9	178.3°	90.0°
N5	RU	N12	C38	10.0°	90.0°
N5	RU	N1	C12	100.0°	90.0°
N5	RU	N12	N1	153.5°	90.0°
N5	RU	N12	N2	93.0°	90.0°
N5	RU	N12	N9	177.3°	90.0°
N5	RU	N12	C36	176.7°	90.0°
N5	RU	N1	N2	92.8°	90.0°
N5	RU	N1	N9	177.4°	90.0°
N5	RU	N2	N9	178.4°	90.0°
N5	RU	N1	C10	97.8°	90.0°
N5	RU	N2	C2	78.4°	90.0°
N5	RU	N2	C1	86.8°	90.0°
N5	RU	N9	C29	50.3°	90.0°
N5	RU	N9	C30	116.7°	90.0°
RU	N5	C20	H19	0.1°	90.0°
C28	N8	RU	N12	94.3°	90.0°
C28	N8	RU	N1	82.8°	90.0°
C28	N8	RU	N2	127.7°	90.0°
C28	N8	RU	N9	10.5°	90.0°
N8	C28	C27	H16	171.1°	90.0°
N8	RU	N12	C38	94.4°	90.0°
N8	RU	N1	C12	15.5°	90.0°
N8	RU	N12	N1	122.1°	90.0°
N8	RU	N12	N2	177.5°	90.0°
N8	RU	N12	N9	92.9°	90.0°
N8	RU	N12	C36	92.2°	90.0°
N8	RU	N1	N2	177.3°	90.0°
N8	RU	N1	N9	92.8°	90.0°
N8	RU	N2	N9	138.2°	90.0°
N8	RU	N1	C10	177.7°	90.0°
N8	RU	N2	C2	121.7°	90.0°
N8	RU	N2	C1	43.4°	90.0°
N8	RU	N9	C29	82.1°	90.0°
N8	RU	N9	C30	84.9°	90.0°
RU	N8	C28	H15	2.7°	90.0°
C37	C38	N12	H21	180.0°	90.0°
C38	C37	N11	H22	180.0°	90.0°
C37	C38	N12	RU	179.6°	90.0°
C37	C38	N12	C36	7.5°	90.0°
C38	C37	N11	C35	0.1°	90.0°
N12	C38	C37	N11	3.6°	90.0°
C38	N12	RU	C36	173.4°	90.0°
C38	N12	RU	N1	143.5°	90.0°
C38	N12	RU	N2	83.1°	90.0°
C38	N12	RU	N9	172.7°	90.0°
C38	N12	C36	C35	8.4°	90.0°
C38	N12	C36	C29	178.3°	90.0°
N12	C38	C37	H22	176.4°	90.0°
C37	N11	C35	C36	0.5°	90.0°
C37	N11	C35	C34	177.8°	90.0°
N11	C37	C38	H21	176.5°	90.0°
N1	C12	C11	H12	180.0°	90.0°
C12	N1	RU	N12	106.4°	90.0°
C12	N1	RU	C10	162.2°	90.0°
C12	N1	RU	N2	167.2°	90.0°
C12	N1	RU	N9	77.4°	90.0°
N1	C12	C11	C9	6.4°	90.0°
C12	N1	C10	C8	10.2°	90.0°
C12	N1	C10	C1	175.4°	90.0°
N1	C12	C11	H13	173.6°	90.0°
C11	C12	N1	RU	172.8°	90.0°
C11	C12	N1	C10	11.2°	90.0°
C12	C11	C9	H13	180.0°	90.0°
C12	C11	C9	C8	0.2°	90.0°
C12	C11	C9	H14	179.8°	90.0°
N12	RU	N1	N2	60.8°	90.0°
N12	RU	N1	N9	29.1°	90.0°
N12	RU	N2	N9	83.9°	90.0°
N12	RU	N1	C10	55.8°	90.0°
RU	N12	C36	C35	177.0°	90.0°
RU	N12	C36	C29	3.6°	90.0°
N12	RU	N2	C2	16.1°	90.0°
N12	RU	N2	C1	178.7°	90.0°
N12	RU	N9	C29	4.8°	90.0°
N12	RU	N9	C30	171.8°	90.0°
RU	N12	C38	H21	0.4°	90.0°
C36	N12	RU	N1	29.9°	90.0°
C36	N12	RU	N2	90.3°	90.0°
C36	N12	RU	N9	0.7°	90.0°
N12	C36	C35	N11	4.9°	90.0°
N12	C36	C35	C29	173.6°	90.0°
N12	C36	C35	C34	173.4°	90.0°
N12	C36	C29	N9	8.1°	90.0°
N12	C36	C29	C32	176.8°	90.0°
C36	N12	C38	H21	172.6°	90.0°
N1	RU	N2	N9	93.1°	90.0°
RU	N1	C10	C8	174.8°	90.0°
RU	N1	C10	C1	10.9°	90.0°
N1	RU	N2	C2	166.9°	90.0°
N1	RU	N2	C1	1.8°	90.0°
N1	RU	N9	C29	176.9°	90.0°
N1	RU	N9	C30	9.9°	90.0°
RU	N1	C12	H12	7.2°	90.0°
N2	RU	N1	C10	5.0°	90.0°
RU	N2	C1	C10	8.3°	90.0°
RU	N2	C2	C1	164.1°	90.0°
RU	N2	C2	C3	174.8°	90.0°
RU	N2	C1	C5	179.6°	90.0°
N2	RU	N9	C29	100.4°	90.0°
N2	RU	N9	C30	92.6°	90.0°
RU	N2	C2	H11	5.2°	90.0°
N9	RU	N1	C10	84.8°	90.0°
RU	N9	C29	C36	8.0°	90.0°
N9	RU	N2	C2	100.0°	90.0°
N9	RU	N2	C1	94.8°	90.0°
RU	N9	C29	C30	169.6°	90.0°
RU	N9	C29	C32	176.9°	90.0°
RU	N9	C30	C31	174.4°	90.0°
RU	N9	C30	H23	5.6°	90.0°
N1	C10	C8	C9	4.1°	90.0°
N1	C10	C8	C1	174.1°	90.0°
N1	C10	C1	N2	13.2°	90.0°
N1	C10	C8	C7	172.8°	90.0°
N1	C10	C1	C5	175.5°	90.0°
C10	N1	C12	H12	168.8°	90.0°
C11	C9	C8	H14	180.0°	90.0°
C11	C9	C8	C10	1.3°	90.0°
C11	C9	C8	C7	178.0°	90.0°
C9	C11	C12	H12	173.6°	90.0°
N11	C35	C36	C34	178.3°	90.0°
N11	C35	C36	C29	178.5°	90.0°
N11	C35	C34	C33	177.1°	90.0°
C35	N11	C37	H22	179.9°	90.0°
N11	C35	C34	H25	2.8°	90.0°
C35	C36	C29	N9	178.1°	90.0°
C35	C36	C29	C32	2.9°	90.0°
C36	C35	C34	C33	4.6°	90.0°
C36	C35	C34	H25	175.4°	90.0°
C29	C36	C35	C34	0.1°	90.0°
C36	C29	N9	C32	175.1°	90.0°
C36	C29	N9	C30	177.6°	90.0°
C36	C29	C32	C33	1.8°	90.0°
C36	C29	C32	N10	178.8°	90.0°
C9	C8	C10	C7	176.9°	90.0°
C9	C8	C10	C1	178.1°	90.0°
C9	C8	C7	N4	0.3°	90.0°
C9	C8	C7	C6	177.2°	90.0°
C8	C9	C11	H13	179.8°	90.0°
C8	C10	C1	N2	172.3°	90.0°
C8	C10	C1	C5	0.9°	90.0°
C10	C8	C7	N4	176.9°	90.0°
C10	C8	C7	C6	0.5°	90.0°
C10	C8	C9	H14	178.7°	90.0°
C10	C1	N2	C2	175.4°	90.0°
C10	C1	N2	C5	171.3°	90.0°
C1	C10	C8	C7	1.3°	90.0°
C10	C1	C5	C4	179.4°	90.0°
C10	C1	C5	C6	3.9°	90.0°
C35	C34	C33	H25	180.0°	90.0°
C35	C34	C33	C32	5.6°	90.0°
C35	C34	C33	H26	174.4°	90.0°
N2	C2	C3	H11	180.0°	90.0°
C2	N2	C1	C5	13.3°	90.0°
N2	C2	C3	C4	4.3°	90.0°
N2	C2	C3	H10	175.7°	90.0°
C1	N2	C2	C3	10.7°	90.0°
N2	C1	C5	C4	9.5°	90.0°
N2	C1	C5	C6	174.9°	90.0°
C1	N2	C2	H11	169.3°	90.0°
C2	C3	C4	H10	180.0°	90.0°
C2	C3	C4	C5	0.4°	90.0°
C2	C3	C4	H9	179.6°	90.0°
C8	C7	N4	C6	177.5°	90.0°
C8	C7	C6	C5	2.4°	90.0°
C8	C7	N4	C13	179.2°	90.0°
C8	C7	C6	N3	179.6°	90.0°
C7	C8	C9	H14	2.0°	90.0°
C1	C5	C4	C3	3.2°	90.0°
C1	C5	C6	C7	4.6°	90.0°
C1	C5	C4	C6	175.3°	90.0°
C1	C5	C6	N3	177.4°	90.0°
C1	C5	C4	H9	176.9°	90.0°
C29	N9	C30	C31	7.6°	90.0°
N9	C29	C32	C33	176.6°	90.0°
N9	C29	C32	N10	3.9°	90.0°
C29	N9	C30	H23	172.4°	90.0°
C30	N9	C29	C32	7.3°	90.0°
N9	C30	C31	H23	180.0°	90.0°
N9	C30	C31	N10	4.7°	90.0°
N9	C30	C31	H24	175.3°	90.0°
C29	C32	C33	C34	2.4°	90.0°
C29	C32	C33	N10	179.5°	90.0°
C29	C32	N10	C31	0.4°	90.0°
C29	C32	C33	H26	177.6°	90.0°
C34	C33	C32	H26	180.0°	90.0°
C34	C33	C32	N10	177.1°	90.0°
C3	C4	C5	H9	180.0°	90.0°
C3	C4	C5	C6	178.4°	90.0°
C4	C3	C2	H11	175.7°	90.0°
N4	C7	C6	C5	179.8°	90.0°
N4	C7	C6	N3	2.1°	90.0°
C7	N4	C13	C14	175.4°	90.0°
C7	N4	C13	C15	1.1°	90.0°
C7	C6	C5	C4	179.7°	90.0°
C7	C6	C5	N3	178.0°	90.0°
C6	C7	N4	C13	3.3°	90.0°
C7	C6	N3	C15	1.3°	90.0°
C30	C31	N10	C32	0.6°	90.0°
C30	C31	N10	H24	180.0°	90.0°
C4	C5	C6	N3	2.3°	90.0°
C5	C4	C3	H10	179.6°	90.0°
C5	C6	N3	C15	176.7°	90.0°
C6	C5	C4	H9	1.6°	90.0°
N4	C13	C14	C15	176.4°	90.0°
N4	C13	C15	N3	2.4°	90.0°
N4	C13	C14	C18	178.2°	90.0°
N4	C13	C15	C16	179.7°	90.0°
N4	C13	C14	H7	1.8°	90.0°
C6	N3	C15	C13	3.5°	90.0°
C6	N3	C15	C16	178.4°	90.0°
C33	C32	N10	C31	179.8°	90.0°
C32	C33	C34	H25	174.4°	90.0°
C32	N10	C31	H24	179.4°	90.0°
N10	C32	C33	H26	2.9°	90.0°
N10	C31	C30	H23	175.3°	90.0°
C14	C13	C15	N3	178.7°	90.0°
C13	C14	C18	H7	180.0°	90.0°
C14	C13	C15	C16	3.4°	90.0°
C13	C14	C18	C52	176.1°	90.0°
C13	C14	C18	C17	5.1°	90.0°
C13	C15	N3	C16	178.1°	90.0°
C15	C13	C14	C18	5.4°	90.0°
C13	C15	C16	C17	0.6°	90.0°
C15	C13	C14	H7	174.6°	90.0°
C13	C15	C16	H8	179.4°	90.0°
N3	C15	C16	C17	178.6°	90.0°
N3	C15	C16	H8	1.4°	90.0°
C14	C18	C52	C17	178.8°	90.0°
C14	C18	C17	C16	2.7°	90.0°
C14	C18	C17	C53	178.5°	90.0°
C14	C18	C52	H4	90.5°	90.0°
C14	C18	C52	H5	149.5°	90.0°
C14	C18	C52	H6	29.5°	90.0°
C15	C16	C17	C18	0.2°	90.0°
C15	C16	C17	H8	180.0°	90.0°
C15	C16	C17	C53	179.1°	90.0°
C52	C18	C17	C16	178.6°	90.0°
C52	C18	C17	C53	0.2°	90.0°
C18	C52	H4	H5	120.0°	90.0°
C18	C52	H4	H6	120.0°	90.0°
C18	C52	H5	H6	120.0°	90.0°
C52	C18	C14	H7	3.9°	90.0°
C18	C17	C16	C53	178.9°	90.0°
C18	C17	C53	H1	89.4°	90.0°
C18	C17	C53	H2	150.7°	90.0°
C18	C17	C53	H3	30.6°	90.0°
C17	C18	C52	H4	90.7°	90.0°
C17	C18	C52	H5	29.4°	90.0°
C17	C18	C52	H6	149.3°	90.0°
C17	C18	C14	H7	174.9°	90.0°
C18	C17	C16	H8	179.8°	90.0°
C16	C17	C53	H1	89.5°	90.0°
C16	C17	C53	H2	30.4°	90.0°
C16	C17	C53	H3	150.5°	90.0°
C17	C53	H1	H2	120.0°	90.0°
C17	C53	H1	H3	120.0°	90.0°
C17	C53	H2	H3	120.0°	90.0°
C53	C17	C16	H8	0.9°	90.0°
H1	C53	H2	H3	120.0°	90.0°
H4	C52	H5	H6	120.0°	90.0°
H9	C4	C3	H10	0.4°	90.0°
H10	C3	C2	H11	4.3°	90.0°
H12	C12	C11	H13	6.4°	90.0°
H13	C11	C9	H14	0.2°	90.0°
H15	C28	C27	H16	8.9°	90.0°
H17	C24	C23	H18	2.2°	90.0°
H19	C20	C21	H20	11.0°	90.0°
H21	C38	C37	H22	3.5°	90.0°
H23	C30	C31	H24	4.7°	90.0°
H25	C34	C33	H26	5.6°	90.0°

Release date:	2013-03-06
Definition date:	2012-03-07
Last modified:	2021-03-13
Release status:	REL
Processing site:	RCSB
Derived from:	4DX4