MM5

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	C12	sing	0.00Å	1.55Å
C13	H131	sing	0.00Å	1.10Å
C13	H132	sing	0.00Å	1.10Å
C13	N14	sing	0.00Å	1.46Å
N14	C1	sing	0.00Å	1.46Å
N14	NI1	sing	0.00Å	2.01Å
C1	H11	sing	0.00Å	1.10Å
C1	H12	sing	0.00Å	1.10Å
C1	C2	sing	0.00Å	1.53Å
NI1	N4	sing	0.00Å	2.01Å
NI1	N7	sing	0.00Å	2.01Å
NI1	N11	sing	0.00Å	2.01Å
C12	N11	sing	0.00Å	1.47Å
C12	H121	sing	0.00Å	1.10Å
C12	H122	sing	0.00Å	1.10Å
N11	C10	sing	0.00Å	1.46Å
C10	C9	sing	0.00Å	1.53Å
C10	H101	sing	0.00Å	1.10Å
C10	H102	sing	0.00Å	1.10Å
C9	C8	sing	0.00Å	1.53Å
C9	H91	sing	0.00Å	1.10Å
C9	H92	sing	0.00Å	1.10Å
C8	N7	sing	0.00Å	1.46Å
C8	H81	sing	0.00Å	1.10Å
C8	H82	sing	0.00Å	1.10Å
N7	C6	sing	0.00Å	1.46Å
C6	C5	sing	0.00Å	1.54Å
C6	H61	sing	0.00Å	1.10Å
C6	H62	sing	0.00Å	1.10Å
C5	N4	sing	0.00Å	1.46Å
C5	H51	sing	0.00Å	1.10Å
C5	H52	sing	0.00Å	1.10Å
N4	C28	sing	0.00Å	27.53Å
N4	C3	sing	0.00Å	1.46Å
C3	C2	sing	0.00Å	1.53Å
C3	H31	sing	0.00Å	1.10Å
C3	H32	sing	0.00Å	1.10Å
C2	H21	sing	0.00Å	1.10Å
C2	H22	sing	0.00Å	1.10Å
C4	H4	sing	0.00Å	0.00Å
C4	C7	doub	0.00Å	0.00Å	Aromatic
C4	C16	sing	0.00Å	0.00Å	Aromatic
C7	H7	sing	0.00Å	0.00Å
C7	C11	sing	0.00Å	0.00Å	Aromatic
C11	C14	doub	0.00Å	0.00Å	Aromatic
C11	C28	sing	0.00Å	0.00Å
C14	H14	sing	0.00Å	0.00Å
C14	C15	sing	0.00Å	0.00Å	Aromatic
C15	H15	sing	0.00Å	0.00Å
C15	C16	doub	0.00Å	0.00Å	Aromatic
C16	C17	sing	0.00Å	0.00Å
C17	H171	sing	0.00Å	0.00Å
C17	H172	sing	0.00Å	0.00Å
C17	N1	sing	0.00Å	0.00Å
N1	C18	sing	0.00Å	0.00Å
N1	C27	sing	0.00Å	0.00Å
N1	NI2	sing	0.00Å	0.00Å
C18	H181	sing	0.00Å	0.00Å
C18	H182	sing	0.00Å	0.00Å
C18	C19	sing	0.00Å	0.00Å
C19	H191	sing	0.00Å	0.00Å
C19	H192	sing	0.00Å	0.00Å
C19	N2	sing	0.00Å	0.00Å
N2	C20	sing	0.00Å	0.00Å
N2	NI2	sing	0.00Å	0.00Å
C20	H201	sing	0.00Å	0.00Å
C20	H202	sing	0.00Å	0.00Å
C20	C21	sing	0.00Å	0.00Å
C21	H211	sing	0.00Å	0.00Å
C21	H212	sing	0.00Å	0.00Å
C21	C22	sing	0.00Å	0.00Å
C22	H221	sing	0.00Å	0.00Å
C22	H222	sing	0.00Å	0.00Å
C22	N3	sing	0.00Å	0.00Å
N3	C23	sing	0.00Å	0.00Å
N3	NI2	sing	0.00Å	0.00Å
C23	H231	sing	0.00Å	0.00Å
C23	H232	sing	0.00Å	0.00Å
C23	C24	sing	0.00Å	0.00Å
C24	H241	sing	0.00Å	0.00Å
C24	H242	sing	0.00Å	0.00Å
C24	N5	sing	0.00Å	0.00Å
N5	C25	sing	0.00Å	0.00Å
N5	NI2	sing	0.00Å	0.00Å
C25	H251	sing	0.00Å	0.00Å
C25	H252	sing	0.00Å	0.00Å
C25	C26	sing	0.00Å	0.00Å
C26	H261	sing	0.00Å	0.00Å
C26	H262	sing	0.00Å	0.00Å
C26	C27	sing	0.00Å	0.00Å
C27	H271	sing	0.00Å	0.00Å
C27	H272	sing	0.00Å	0.00Å
C28	H281	sing	0.00Å	0.00Å
C28	H282	sing	0.00Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C12	C13	H131	109.1°	90.0°
C12	C13	H132	109.1°	90.0°
C12	C13	N14	110.8°	90.0°
C13	C12	N11	111.4°	90.0°
C13	C12	H121	109.0°	90.0°
C13	C12	H122	109.0°	90.0°
H131	C13	H132	109.5°	90.0°
H131	C13	N14	109.1°	90.0°
H132	C13	N14	109.1°	90.0°
C13	N14	C1	122.5°	90.0°
C13	N14	NI1	116.7°	90.0°
C1	N14	NI1	120.8°	90.0°
N14	C1	H11	110.6°	90.0°
N14	C1	H12	110.6°	90.0°
N14	C1	C2	105.1°	90.0°
N14	NI1	N4	98.2°	90.0°
N14	NI1	N7	179.5°	90.0°
N14	NI1	N11	82.1°	90.0°
H11	C1	H12	109.5°	90.0°
H11	C1	C2	110.5°	90.0°
H12	C1	C2	110.5°	90.0°
C1	C2	C3	113.0°	90.0°
C1	C2	H21	108.6°	90.0°
C1	C2	H22	108.5°	90.0°
N4	NI1	N7	81.4°	90.0°
N4	NI1	N11	179.6°	90.0°
NI1	N4	C5	116.0°	90.0°
NI1	N4	C28	147.0°	90.0°
NI1	N4	C3	121.2°	90.0°
N7	NI1	N11	98.3°	90.0°
NI1	N7	C8	120.9°	90.0°
NI1	N7	C6	116.3°	90.0°
NI1	N11	C12	116.2°	90.0°
NI1	N11	C10	121.1°	90.0°
N11	C12	H121	109.0°	90.0°
N11	C12	H122	109.0°	90.0°
C12	N11	C10	122.6°	90.0°
H121	C12	H122	109.5°	90.0°
N11	C10	C9	106.3°	90.0°
N11	C10	H101	110.3°	90.0°
N11	C10	H102	110.3°	90.0°
C9	C10	H101	110.2°	90.0°
C9	C10	H102	110.2°	90.0°
C10	C9	C8	113.1°	90.0°
C10	C9	H91	108.6°	90.0°
C10	C9	H92	108.5°	90.0°
H101	C10	H102	109.5°	90.0°
C8	C9	H91	108.5°	90.0°
C8	C9	H92	108.6°	90.0°
C9	C8	N7	105.7°	90.0°
C9	C8	H81	110.4°	90.0°
C9	C8	H82	110.4°	90.0°
H91	C9	H92	109.5°	90.0°
N7	C8	H81	110.4°	90.0°
N7	C8	H82	110.4°	90.0°
C8	N7	C6	122.8°	90.0°
H81	C8	H82	109.5°	90.0°
N7	C6	C5	109.8°	90.0°
N7	C6	H61	109.4°	90.0°
N7	C6	H62	109.4°	90.0°
C5	C6	H61	109.4°	90.0°
C5	C6	H62	109.4°	90.0°
C6	C5	N4	109.8°	90.0°
C6	C5	H51	109.4°	90.0°
C6	C5	H52	109.4°	90.0°
H61	C6	H62	109.4°	90.0°
N4	C5	H51	109.4°	90.0°
N4	C5	H52	109.4°	90.0°
C5	N4	C28	89.8°	90.0°
C5	N4	C3	122.8°	90.0°
H51	C5	H52	109.5°	90.0°
C28	N4	C3	38.8°	90.0°
N4	C28	C11	90.0°	90.0°
N4	C28	H281	90.0°	90.0°
N4	C28	H282	90.0°	90.0°
N4	C3	C2	106.7°	90.0°
N4	C3	H31	110.2°	90.0°
N4	C3	H32	110.2°	90.0°
C2	C3	H31	110.2°	90.0°
C2	C3	H32	110.2°	90.0°
C3	C2	H21	108.6°	90.0°
C3	C2	H22	108.6°	90.0°
H31	C3	H32	109.5°	90.0°
H21	C2	H22	109.5°	90.0°
H4	C4	C7	90.0°	90.0°
H4	C4	C16	90.0°	90.0°
C7	C4	C16	90.0°	90.0°
C4	C7	H7	90.0°	90.0°
C4	C7	C11	90.0°	90.0°
C4	C16	C15	90.0°	90.0°
C4	C16	C17	90.0°	90.0°
H7	C7	C11	90.0°	90.0°
C7	C11	C14	90.0°	90.0°
C7	C11	C28	90.0°	90.0°
C14	C11	C28	90.0°	90.0°
C11	C14	H14	90.0°	90.0°
C11	C14	C15	90.0°	90.0°
C11	C28	H281	90.0°	90.0°
C11	C28	H282	90.0°	90.0°
H14	C14	C15	90.0°	90.0°
C14	C15	H15	90.0°	90.0°
C14	C15	C16	90.0°	90.0°
H15	C15	C16	90.0°	90.0°
C15	C16	C17	90.0°	90.0°
C16	C17	H171	90.0°	90.0°
C16	C17	H172	90.0°	90.0°
C16	C17	N1	90.0°	90.0°
H171	C17	H172	90.0°	90.0°
H171	C17	N1	90.0°	90.0°
H172	C17	N1	90.0°	90.0°
C17	N1	C18	90.0°	90.0°
C17	N1	C27	90.0°	90.0°
C17	N1	NI2	90.0°	90.0°
C18	N1	C27	90.0°	90.0°
C18	N1	NI2	90.0°	90.0°
N1	C18	H181	90.0°	90.0°
N1	C18	H182	90.0°	90.0°
N1	C18	C19	90.0°	90.0°
C27	N1	NI2	90.0°	90.0°
N1	C27	C26	90.0°	90.0°
N1	C27	H271	90.0°	90.0°
N1	C27	H272	90.0°	90.0°
N1	NI2	N2	90.0°	90.0°
N1	NI2	N3	90.0°	90.0°
N1	NI2	N5	90.0°	90.0°
H181	C18	H182	90.0°	90.0°
H181	C18	C19	90.0°	90.0°
H182	C18	C19	90.0°	90.0°
C18	C19	H191	90.0°	90.0°
C18	C19	H192	90.0°	90.0°
C18	C19	N2	90.0°	90.0°
H191	C19	H192	90.0°	90.0°
H191	C19	N2	90.0°	90.0°
H192	C19	N2	90.0°	90.0°
C19	N2	C20	90.0°	90.0°
C19	N2	NI2	90.0°	90.0°
C20	N2	NI2	90.0°	90.0°
N2	C20	H201	90.0°	90.0°
N2	C20	H202	90.0°	90.0°
N2	C20	C21	90.0°	90.0°
N2	NI2	N3	90.0°	90.0°
N2	NI2	N5	90.0°	90.0°
H201	C20	H202	90.0°	90.0°
H201	C20	C21	90.0°	90.0°
H202	C20	C21	90.0°	90.0°
C20	C21	H211	90.0°	90.0°
C20	C21	H212	90.0°	90.0°
C20	C21	C22	90.0°	90.0°
H211	C21	H212	90.0°	90.0°
H211	C21	C22	90.0°	90.0°
H212	C21	C22	90.0°	90.0°
C21	C22	H221	90.0°	90.0°
C21	C22	H222	90.0°	90.0°
C21	C22	N3	90.0°	90.0°
H221	C22	H222	90.0°	90.0°
H221	C22	N3	90.0°	90.0°
H222	C22	N3	90.0°	90.0°
C22	N3	C23	90.0°	90.0°
C22	N3	NI2	90.0°	90.0°
C23	N3	NI2	90.0°	90.0°
N3	C23	H231	90.0°	90.0°
N3	C23	H232	90.0°	90.0°
N3	C23	C24	90.0°	90.0°
N3	NI2	N5	90.0°	90.0°
H231	C23	H232	90.0°	90.0°
H231	C23	C24	90.0°	90.0°
H232	C23	C24	90.0°	90.0°
C23	C24	H241	90.0°	90.0°
C23	C24	H242	90.0°	90.0°
C23	C24	N5	90.0°	90.0°
H241	C24	H242	90.0°	90.0°
H241	C24	N5	90.0°	90.0°
H242	C24	N5	90.0°	90.0°
C24	N5	C25	90.0°	90.0°
C24	N5	NI2	90.0°	90.0°
C25	N5	NI2	90.0°	90.0°
N5	C25	H251	90.0°	90.0°
N5	C25	H252	90.0°	90.0°
N5	C25	C26	90.0°	90.0°
H251	C25	H252	90.0°	90.0°
H251	C25	C26	90.0°	90.0°
H252	C25	C26	90.0°	90.0°
C25	C26	H261	90.0°	90.0°
C25	C26	H262	90.0°	90.0°
C25	C26	C27	90.0°	90.0°
H261	C26	H262	90.0°	90.0°
H261	C26	C27	90.0°	90.0°
H262	C26	C27	90.0°	90.0°
C26	C27	H271	90.0°	90.0°
C26	C27	H272	90.0°	90.0°
H271	C27	H272	90.0°	90.0°
H281	C28	H282	90.0°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C12	C13	H131	H132	119.4°	90.0°
C12	C13	H131	N14	121.2°	90.0°
C12	C13	H132	N14	121.2°	90.0°
C12	C13	N14	C1	165.3°	90.0°
C12	C13	N14	NI1	14.7°	90.0°
C13	C12	N11	NI1	14.9°	90.0°
C13	C12	N11	H121	120.3°	90.0°
C13	C12	N11	H122	120.3°	90.0°
C13	C12	H121	H122	119.1°	90.0°
C13	C12	N11	C10	164.8°	90.0°
H131	C13	H132	N14	119.4°	90.0°
H131	C13	N14	C1	74.5°	90.0°
H131	C13	N14	NI1	105.5°	90.0°
H131	C13	C12	N11	101.8°	90.0°
H131	C13	C12	H121	137.9°	90.0°
H131	C13	C12	H122	18.5°	90.0°
H132	C13	N14	C1	45.1°	90.0°
H132	C13	N14	NI1	134.9°	90.0°
H132	C13	C12	N11	138.6°	90.0°
H132	C13	C12	H121	18.3°	90.0°
H132	C13	C12	H122	101.1°	90.0°
C13	N14	C1	NI1	180.0°	90.0°
C13	N14	C1	H11	92.9°	90.0°
C13	N14	C1	H12	28.5°	90.0°
C13	N14	C1	C2	147.8°	90.0°
C13	N14	NI1	N4	174.2°	90.0°
C13	N14	NI1	N7	126.3°	90.0°
C13	N14	NI1	N11	5.5°	90.0°
N14	C13	C12	N11	18.4°	90.0°
N14	C13	C12	H121	101.9°	90.0°
N14	C13	C12	H122	138.7°	90.0°
N14	C1	H11	H12	122.0°	90.0°
N14	C1	H11	C2	116.0°	90.0°
N14	C1	H12	C2	116.0°	90.0°
C1	N14	NI1	N4	5.8°	90.0°
C1	N14	NI1	N7	53.7°	90.0°
C1	N14	NI1	N11	174.4°	90.0°
N14	C1	C2	C3	85.2°	90.0°
N14	C1	C2	H21	154.3°	90.0°
N14	C1	C2	H22	35.4°	90.0°
NI1	N14	C1	H11	87.2°	90.0°
NI1	N14	C1	H12	151.4°	90.0°
NI1	N14	C1	C2	32.1°	90.0°
N14	NI1	N4	N7	179.6°	90.0°
N14	NI1	N4	N11	136.5°	90.0°
N14	NI1	N7	N11	131.8°	90.0°
N14	NI1	N11	C12	5.7°	90.0°
N14	NI1	N11	C10	173.9°	90.0°
N14	NI1	N7	C8	124.5°	90.0°
N14	NI1	N7	C6	55.2°	90.0°
N14	NI1	N4	C5	169.8°	90.0°
N14	NI1	N4	C28	52.4°	90.0°
N14	NI1	N4	C3	10.0°	90.0°
H11	C1	H12	C2	122.0°	90.0°
H11	C1	C2	C3	34.1°	90.0°
H11	C1	C2	H21	86.4°	90.0°
H11	C1	C2	H22	154.7°	90.0°
H12	C1	C2	C3	155.5°	90.0°
H12	C1	C2	H21	35.0°	90.0°
H12	C1	C2	H22	83.9°	90.0°
C1	C2	C3	N4	81.0°	90.0°
C1	C2	C3	H21	120.5°	90.0°
C1	C2	C3	H22	120.5°	90.0°
C1	C2	C3	H31	159.4°	90.0°
C1	C2	C3	H32	38.5°	90.0°
C1	C2	H21	H22	118.4°	90.0°
N4	NI1	N7	N11	179.7°	90.0°
N4	NI1	N11	C12	142.3°	90.0°
N4	NI1	N11	C10	37.4°	90.0°
N4	NI1	N7	C8	172.4°	90.0°
N4	NI1	N7	C6	7.3°	90.0°
NI1	N4	C5	C6	23.5°	90.0°
NI1	N4	C5	C28	158.5°	90.0°
NI1	N4	C5	C3	179.8°	90.0°
NI1	N4	C5	H51	143.5°	90.0°
NI1	N4	C5	H52	96.6°	90.0°
NI1	N4	C28	C3	66.8°	90.0°
NI1	N4	C3	C2	24.8°	90.0°
NI1	N4	C3	H31	144.4°	90.0°
NI1	N4	C3	H32	94.7°	90.0°
NI1	N4	C28	C11	90.0°	90.0°
NI1	N4	C28	H281	90.0°	90.0°
NI1	N4	C28	H282	90.0°	90.0°
N7	NI1	N11	C12	174.7°	90.0°
N7	NI1	N11	C10	5.7°	90.0°
NI1	N7	C8	C9	39.6°	90.0°
NI1	N7	C8	C6	179.6°	90.0°
NI1	N7	C8	H81	159.0°	90.0°
NI1	N7	C8	H82	79.8°	90.0°
NI1	N7	C6	C5	21.4°	90.0°
NI1	N7	C6	H61	98.7°	90.0°
NI1	N7	C6	H62	141.5°	90.0°
N7	NI1	N4	C5	9.8°	90.0°
N7	NI1	N4	C28	128.0°	90.0°
N7	NI1	N4	C3	170.4°	90.0°
NI1	N11	C12	C10	179.6°	90.0°
NI1	N11	C12	H121	105.4°	90.0°
NI1	N11	C12	H122	135.1°	90.0°
NI1	N11	C10	C9	36.5°	90.0°
NI1	N11	C10	H101	156.0°	90.0°
NI1	N11	C10	H102	83.0°	90.0°
N11	NI1	N7	C8	7.3°	90.0°
N11	NI1	N7	C6	173.0°	90.0°
N11	NI1	N4	C5	33.3°	90.0°
N11	NI1	N4	C28	171.1°	90.0°
N11	NI1	N4	C3	146.5°	90.0°
N11	C12	H121	H122	119.2°	90.0°
C12	N11	C10	C9	143.9°	90.0°
C12	N11	C10	H101	24.4°	90.0°
C12	N11	C10	H102	96.6°	90.0°
H121	C12	N11	C10	75.0°	90.0°
H122	C12	N11	C10	44.5°	90.0°
N11	C10	C9	H101	119.5°	90.0°
N11	C10	C9	H102	119.5°	90.0°
N11	C10	H101	H102	121.5°	90.0°
N11	C10	C9	C8	82.3°	90.0°
N11	C10	C9	H91	38.2°	90.0°
N11	C10	C9	H92	157.1°	90.0°
C9	C10	H101	H102	121.4°	90.0°
C10	C9	C8	H91	120.5°	90.0°
C10	C9	C8	H92	120.5°	90.0°
C10	C9	H91	H92	118.3°	90.0°
C10	C9	C8	N7	84.1°	90.0°
C10	C9	C8	H81	156.5°	90.0°
C10	C9	C8	H82	35.3°	90.0°
H101	C10	C9	C8	158.2°	90.0°
H101	C10	C9	H91	81.3°	90.0°
H101	C10	C9	H92	37.6°	90.0°
H102	C10	C9	C8	37.2°	90.0°
H102	C10	C9	H91	157.7°	90.0°
H102	C10	C9	H92	83.4°	90.0°
C8	C9	H91	H92	118.4°	90.0°
C9	C8	N7	H81	119.4°	90.0°
C9	C8	N7	H82	119.4°	90.0°
C9	C8	H81	H82	121.7°	90.0°
C9	C8	N7	C6	140.8°	90.0°
H91	C9	C8	N7	36.4°	90.0°
H91	C9	C8	H81	83.0°	90.0°
H91	C9	C8	H82	155.9°	90.0°
H92	C9	C8	N7	155.4°	90.0°
H92	C9	C8	H81	36.0°	90.0°
H92	C9	C8	H82	85.2°	90.0°
N7	C8	H81	H82	121.7°	90.0°
C8	N7	C6	C5	158.3°	90.0°
C8	N7	C6	H61	81.7°	90.0°
C8	N7	C6	H62	38.2°	90.0°
H81	C8	N7	C6	21.3°	90.0°
H82	C8	N7	C6	99.8°	90.0°
N7	C6	C5	H61	120.1°	90.0°
N7	C6	C5	H62	120.1°	90.0°
N7	C6	H61	H62	119.8°	90.0°
N7	C6	C5	N4	27.8°	90.0°
N7	C6	C5	H51	147.9°	90.0°
N7	C6	C5	H52	92.2°	90.0°
C5	C6	H61	H62	119.9°	90.0°
C6	C5	N4	H51	120.0°	90.0°
C6	C5	N4	H52	120.0°	90.0°
C6	C5	H51	H52	119.8°	90.0°
C6	C5	N4	C28	135.1°	90.0°
C6	C5	N4	C3	156.8°	90.0°
H61	C6	C5	N4	92.2°	90.0°
H61	C6	C5	H51	27.8°	90.0°
H61	C6	C5	H52	147.7°	90.0°
H62	C6	C5	N4	147.9°	90.0°
H62	C6	C5	H51	92.0°	90.0°
H62	C6	C5	H52	27.9°	90.0°
N4	C5	H51	H52	119.9°	90.0°
C5	N4	C28	C3	150.3°	90.0°
C5	N4	C3	C2	155.4°	90.0°
C5	N4	C3	H31	35.8°	90.0°
C5	N4	C3	H32	85.1°	90.0°
C5	N4	C28	C11	90.0°	90.0°
C5	N4	C28	H281	90.0°	90.0°
C5	N4	C28	H282	90.0°	90.0°
H51	C5	N4	C28	15.0°	90.0°
H51	C5	N4	C3	36.7°	90.0°
H52	C5	N4	C28	104.9°	90.0°
H52	C5	N4	C3	83.2°	90.0°
C28	N4	C3	C2	119.3°	90.0°
C28	N4	C3	H31	0.3°	90.0°
C28	N4	C3	H32	121.2°	90.0°
N4	C28	C11	C7	90.0°	90.0°
N4	C28	C11	C14	90.0°	90.0°
N4	C28	C11	H281	90.0°	90.0°
N4	C28	C11	H282	90.0°	90.0°
N4	C28	H281	H282	90.0°	90.0°
N4	C3	C2	H31	119.5°	90.0°
N4	C3	C2	H32	119.5°	90.0°
N4	C3	H31	H32	121.3°	90.0°
N4	C3	C2	H21	158.4°	90.0°
N4	C3	C2	H22	39.5°	90.0°
C3	N4	C28	C11	90.0°	90.0°
C3	N4	C28	H281	90.0°	90.0°
C3	N4	C28	H282	90.0°	90.0°
C2	C3	H31	H32	121.3°	90.0°
C3	C2	H21	H22	118.4°	90.0°
H31	C3	C2	H21	38.9°	90.0°
H31	C3	C2	H22	80.1°	90.0°
H32	C3	C2	H21	82.0°	90.0°
H32	C3	C2	H22	159.0°	90.0°
H4	C4	C7	C16	90.0°	90.0°
H4	C4	C7	H7	90.0°	90.0°
H4	C4	C7	C11	90.0°	90.0°
H4	C4	C16	C15	90.0°	90.0°
H4	C4	C16	C17	90.0°	90.0°
C4	C7	H7	C11	90.0°	90.0°
C4	C7	C11	C14	90.0°	90.0°
C4	C7	C11	C28	90.0°	90.0°
C7	C4	C16	C15	90.0°	90.0°
C7	C4	C16	C17	90.0°	90.0°
C16	C4	C7	H7	90.0°	90.0°
C16	C4	C7	C11	90.0°	90.0°
C4	C16	C15	C14	90.0°	90.0°
C4	C16	C15	H15	90.0°	90.0°
C4	C16	C15	C17	90.0°	90.0°
C4	C16	C17	H171	90.0°	90.0°
C4	C16	C17	H172	90.0°	90.0°
C4	C16	C17	N1	90.0°	90.0°
H7	C7	C11	C14	90.0°	90.0°
H7	C7	C11	C28	90.0°	90.0°
C7	C11	C14	C28	90.0°	90.0°
C7	C11	C14	H14	90.0°	90.0°
C7	C11	C14	C15	90.0°	90.0°
C7	C11	C28	H281	90.0°	90.0°
C7	C11	C28	H282	90.0°	90.0°
C11	C14	H14	C15	90.0°	90.0°
C11	C14	C15	H15	90.0°	90.0°
C11	C14	C15	C16	90.0°	90.0°
C14	C11	C28	H281	90.0°	90.0°
C14	C11	C28	H282	90.0°	90.0°
C28	C11	C14	H14	90.0°	90.0°
C28	C11	C14	C15	90.0°	90.0°
C11	C28	H281	H282	90.0°	90.0°
H14	C14	C15	H15	90.0°	90.0°
H14	C14	C15	C16	90.0°	90.0°
C14	C15	H15	C16	90.0°	90.0°
C14	C15	C16	C17	90.0°	90.0°
H15	C15	C16	C17	90.0°	90.0°
C15	C16	C17	H171	90.0°	90.0°
C15	C16	C17	H172	90.0°	90.0°
C15	C16	C17	N1	90.0°	90.0°
C16	C17	H171	H172	90.0°	90.0°
C16	C17	H171	N1	90.0°	90.0°
C16	C17	H172	N1	90.0°	90.0°
C16	C17	N1	C18	90.0°	90.0°
C16	C17	N1	C27	90.0°	90.0°
C16	C17	N1	NI2	90.0°	90.0°
H171	C17	H172	N1	90.0°	90.0°
H171	C17	N1	C18	90.0°	90.0°
H171	C17	N1	C27	90.0°	90.0°
H171	C17	N1	NI2	90.0°	90.0°
H172	C17	N1	C18	90.0°	90.0°
H172	C17	N1	C27	90.0°	90.0°
H172	C17	N1	NI2	90.0°	90.0°
C17	N1	C18	C27	90.0°	90.0°
C17	N1	C18	NI2	90.0°	90.0°
C17	N1	C27	NI2	90.0°	90.0°
C17	N1	C18	H181	90.0°	90.0°
C17	N1	C18	H182	90.0°	90.0°
C17	N1	C18	C19	90.0°	90.0°
C17	N1	NI2	N2	90.0°	90.0°
C17	N1	NI2	N3	90.0°	90.0°
C17	N1	NI2	N5	90.0°	90.0°
C17	N1	C27	C26	90.0°	90.0°
C17	N1	C27	H271	90.0°	90.0°
C17	N1	C27	H272	90.0°	90.0°
C18	N1	C27	NI2	90.0°	90.0°
N1	C18	H181	H182	90.0°	90.0°
N1	C18	H181	C19	90.0°	90.0°
N1	C18	H182	C19	90.0°	90.0°
N1	C18	C19	H191	90.0°	90.0°
N1	C18	C19	H192	90.0°	90.0°
N1	C18	C19	N2	90.0°	90.0°
C18	N1	NI2	N2	90.0°	90.0°
C18	N1	NI2	N3	90.0°	90.0°
C18	N1	NI2	N5	90.0°	90.0°
C18	N1	C27	C26	90.0°	90.0°
C18	N1	C27	H271	90.0°	90.0°
C18	N1	C27	H272	90.0°	90.0°
C27	N1	C18	H181	90.0°	90.0°
C27	N1	C18	H182	90.0°	90.0°
C27	N1	C18	C19	90.0°	90.0°
C27	N1	NI2	N2	90.0°	90.0°
C27	N1	NI2	N3	90.0°	90.0°
C27	N1	NI2	N5	90.0°	90.0°
N1	C27	C26	C25	90.0°	90.0°
N1	C27	C26	H261	90.0°	90.0°
N1	C27	C26	H262	90.0°	90.0°
N1	C27	C26	H271	90.0°	90.0°
N1	C27	C26	H272	90.0°	90.0°
N1	C27	H271	H272	90.0°	90.0°
NI2	N1	C18	H181	90.0°	90.0°
NI2	N1	C18	H182	90.0°	90.0°
NI2	N1	C18	C19	90.0°	90.0°
N1	NI2	N2	C19	90.0°	90.0°
N1	NI2	N2	C20	90.0°	90.0°
N1	NI2	N2	N3	90.0°	90.0°
N1	NI2	N2	N5	90.0°	90.0°
N1	NI2	N3	C22	90.0°	90.0°
N1	NI2	N3	C23	90.0°	90.0°
N1	NI2	N3	N5	90.0°	90.0°
N1	NI2	N5	C24	90.0°	90.0°
N1	NI2	N5	C25	90.0°	90.0°
NI2	N1	C27	C26	90.0°	90.0°
NI2	N1	C27	H271	90.0°	90.0°
NI2	N1	C27	H272	90.0°	90.0°
H181	C18	H182	C19	90.0°	90.0°
H181	C18	C19	H191	90.0°	90.0°
H181	C18	C19	H192	90.0°	90.0°
H181	C18	C19	N2	90.0°	90.0°
H182	C18	C19	H191	90.0°	90.0°
H182	C18	C19	H192	90.0°	90.0°
H182	C18	C19	N2	90.0°	90.0°
C18	C19	H191	H192	90.0°	90.0°
C18	C19	H191	N2	90.0°	90.0°
C18	C19	H192	N2	90.0°	90.0°
C18	C19	N2	C20	90.0°	90.0°
C18	C19	N2	NI2	90.0°	90.0°
H191	C19	H192	N2	90.0°	90.0°
H191	C19	N2	C20	90.0°	90.0°
H191	C19	N2	NI2	90.0°	90.0°
H192	C19	N2	C20	90.0°	90.0°
H192	C19	N2	NI2	90.0°	90.0°
C19	N2	C20	NI2	90.0°	90.0°
C19	N2	C20	H201	90.0°	90.0°
C19	N2	C20	H202	90.0°	90.0°
C19	N2	C20	C21	90.0°	90.0°
C19	N2	NI2	N3	90.0°	90.0°
C19	N2	NI2	N5	90.0°	90.0°
N2	C20	H201	H202	90.0°	90.0°
N2	C20	H201	C21	90.0°	90.0°
N2	C20	H202	C21	90.0°	90.0°
N2	C20	C21	H211	90.0°	90.0°
N2	C20	C21	H212	90.0°	90.0°
N2	C20	C21	C22	90.0°	90.0°
C20	N2	NI2	N3	90.0°	90.0°
C20	N2	NI2	N5	90.0°	90.0°
NI2	N2	C20	H201	90.0°	90.0°
NI2	N2	C20	H202	90.0°	90.0°
NI2	N2	C20	C21	90.0°	90.0°
N2	NI2	N3	C22	90.0°	90.0°
N2	NI2	N3	C23	90.0°	90.0°
N2	NI2	N3	N5	90.0°	90.0°
N2	NI2	N5	C24	90.0°	90.0°
N2	NI2	N5	C25	90.0°	90.0°
H201	C20	H202	C21	90.0°	90.0°
H201	C20	C21	H211	90.0°	90.0°
H201	C20	C21	H212	90.0°	90.0°
H201	C20	C21	C22	90.0°	90.0°
H202	C20	C21	H211	90.0°	90.0°
H202	C20	C21	H212	90.0°	90.0°
H202	C20	C21	C22	90.0°	90.0°
C20	C21	H211	H212	90.0°	90.0°
C20	C21	H211	C22	90.0°	90.0°
C20	C21	H212	C22	90.0°	90.0°
C20	C21	C22	H221	90.0°	90.0°
C20	C21	C22	H222	90.0°	90.0°
C20	C21	C22	N3	90.0°	90.0°
H211	C21	H212	C22	90.0°	90.0°
H211	C21	C22	H221	90.0°	90.0°
H211	C21	C22	H222	90.0°	90.0°
H211	C21	C22	N3	90.0°	90.0°
H212	C21	C22	H221	90.0°	90.0°
H212	C21	C22	H222	90.0°	90.0°
H212	C21	C22	N3	90.0°	90.0°
C21	C22	H221	H222	90.0°	90.0°
C21	C22	H221	N3	90.0°	90.0°
C21	C22	H222	N3	90.0°	90.0°
C21	C22	N3	C23	90.0°	90.0°
C21	C22	N3	NI2	90.0°	90.0°
H221	C22	H222	N3	90.0°	90.0°
H221	C22	N3	C23	90.0°	90.0°
H221	C22	N3	NI2	90.0°	90.0°
H222	C22	N3	C23	90.0°	90.0°
H222	C22	N3	NI2	90.0°	90.0°
C22	N3	C23	NI2	90.0°	90.0°
C22	N3	C23	H231	90.0°	90.0°
C22	N3	C23	H232	90.0°	90.0°
C22	N3	C23	C24	90.0°	90.0°
C22	N3	NI2	N5	90.0°	90.0°
N3	C23	H231	H232	90.0°	90.0°
N3	C23	H231	C24	90.0°	90.0°
N3	C23	H232	C24	90.0°	90.0°
N3	C23	C24	H241	90.0°	90.0°
N3	C23	C24	H242	90.0°	90.0°
N3	C23	C24	N5	90.0°	90.0°
C23	N3	NI2	N5	90.0°	90.0°
NI2	N3	C23	H231	90.0°	90.0°
NI2	N3	C23	H232	90.0°	90.0°
NI2	N3	C23	C24	90.0°	90.0°
N3	NI2	N5	C24	90.0°	90.0°
N3	NI2	N5	C25	90.0°	90.0°
H231	C23	H232	C24	90.0°	90.0°
H231	C23	C24	H241	90.0°	90.0°
H231	C23	C24	H242	90.0°	90.0°
H231	C23	C24	N5	90.0°	90.0°
H232	C23	C24	H241	90.0°	90.0°
H232	C23	C24	H242	90.0°	90.0°
H232	C23	C24	N5	90.0°	90.0°
C23	C24	H241	H242	90.0°	90.0°
C23	C24	H241	N5	90.0°	90.0°
C23	C24	H242	N5	90.0°	90.0°
C23	C24	N5	C25	90.0°	90.0°
C23	C24	N5	NI2	90.0°	90.0°
H241	C24	H242	N5	90.0°	90.0°
H241	C24	N5	C25	90.0°	90.0°
H241	C24	N5	NI2	90.0°	90.0°
H242	C24	N5	C25	90.0°	90.0°
H242	C24	N5	NI2	90.0°	90.0°
C24	N5	C25	NI2	90.0°	90.0°
C24	N5	C25	H251	90.0°	90.0°
C24	N5	C25	H252	90.0°	90.0°
C24	N5	C25	C26	90.0°	90.0°
N5	C25	H251	H252	90.0°	90.0°
N5	C25	H251	C26	90.0°	90.0°
N5	C25	H252	C26	90.0°	90.0°
N5	C25	C26	H261	90.0°	90.0°
N5	C25	C26	H262	90.0°	90.0°
N5	C25	C26	C27	90.0°	90.0°
NI2	N5	C25	H251	90.0°	90.0°
NI2	N5	C25	H252	90.0°	90.0°
NI2	N5	C25	C26	90.0°	90.0°
H251	C25	H252	C26	90.0°	90.0°
H251	C25	C26	H261	90.0°	90.0°
H251	C25	C26	H262	90.0°	90.0°
H251	C25	C26	C27	90.0°	90.0°
H252	C25	C26	H261	90.0°	90.0°
H252	C25	C26	H262	90.0°	90.0°
H252	C25	C26	C27	90.0°	90.0°
C25	C26	H261	H262	90.0°	90.0°
C25	C26	H261	C27	90.0°	90.0°
C25	C26	H262	C27	90.0°	90.0°
C25	C26	C27	H271	90.0°	90.0°
C25	C26	C27	H272	90.0°	90.0°
H261	C26	H262	C27	90.0°	90.0°
H261	C26	C27	H271	90.0°	90.0°
H261	C26	C27	H272	90.0°	90.0°
H262	C26	C27	H271	90.0°	90.0°
H262	C26	C27	H272	90.0°	90.0°
C26	C27	H271	H272	90.0°	90.0°

Definition date:	2006-06-19
Last modified:	2023-09-23
Release status:	REL
Processing site:	RCSB