MM6

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	N14	sing	0.00Å	1.46Å
C13	C12	sing	0.00Å	1.55Å
C13	H131	sing	0.00Å	1.10Å
C13	H132	sing	0.00Å	1.10Å
N14	C1	sing	0.00Å	1.46Å
N14	NI1	sing	0.00Å	2.01Å
C1	C2	sing	0.00Å	1.53Å
C1	H11	sing	0.00Å	1.10Å
C1	H12	sing	0.00Å	1.10Å
NI1	N4	sing	0.00Å	2.01Å
NI1	N11	sing	0.00Å	2.01Å
NI1	N7	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	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

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N14	C13	C12	110.8°	90.0°
N14	C13	H131	109.0°	90.0°
N14	C13	H132	108.7°	90.0°
C13	N14	C1	122.5°	90.0°
C13	N14	NI1	116.7°	90.0°
C12	C13	H131	109.0°	90.0°
C12	C13	H132	108.7°	90.0°
C13	C12	N11	111.4°	90.0°
C13	C12	H121	108.8°	90.0°
C13	C12	H122	108.4°	90.0°
H131	C13	H132	110.5°	90.0°
C1	N14	NI1	120.8°	90.0°
N14	C1	C2	105.1°	90.0°
N14	C1	H11	110.9°	90.0°
N14	C1	H12	111.9°	90.0°
N14	NI1	N4	98.2°	90.0°
N14	NI1	N11	82.1°	90.0°
N14	NI1	N7	179.5°	90.0°
C2	C1	H11	111.0°	90.0°
C2	C1	H12	111.9°	90.0°
C1	C2	C3	113.0°	90.0°
C1	C2	H21	108.3°	90.0°
C1	C2	H22	107.5°	90.0°
H11	C1	H12	106.1°	90.0°
N4	NI1	N11	179.6°	90.0°
N4	NI1	N7	81.4°	90.0°
NI1	N4	C5	116.0°	90.0°
NI1	N4	C3	121.2°	90.0°
N11	NI1	N7	98.3°	90.0°
NI1	N11	C12	116.2°	90.0°
NI1	N11	C10	121.1°	90.0°
NI1	N7	C8	120.9°	90.0°
NI1	N7	C6	116.3°	90.0°
N11	C12	H121	108.9°	90.0°
N11	C12	H122	108.4°	90.0°
C12	N11	C10	122.6°	90.0°
H121	C12	H122	110.9°	90.0°
N11	C10	C9	106.3°	90.0°
N11	C10	H101	110.5°	90.0°
N11	C10	H102	111.2°	90.0°
C9	C10	H101	110.5°	90.0°
C9	C10	H102	111.2°	90.0°
C10	C9	C8	113.1°	90.0°
C10	C9	H91	108.3°	90.0°
C10	C9	H92	107.5°	90.0°
H101	C10	H102	107.1°	90.0°
C8	C9	H91	108.3°	90.0°
C8	C9	H92	107.5°	90.0°
C9	C8	N7	105.7°	90.0°
C9	C8	H81	110.8°	90.0°
C9	C8	H82	111.6°	90.0°
H91	C9	H92	112.3°	90.0°
N7	C8	H81	110.7°	90.0°
N7	C8	H82	111.6°	90.0°
C8	N7	C6	122.8°	90.0°
H81	C8	H82	106.6°	90.0°
N7	C6	C5	109.8°	90.0°
N7	C6	H61	109.3°	90.0°
N7	C6	H62	109.3°	90.0°
C5	C6	H61	109.4°	90.0°
C5	C6	H62	109.3°	90.0°
C6	C5	N4	109.8°	90.0°
C6	C5	H51	109.3°	90.0°
C6	C5	H52	109.3°	90.0°
H61	C6	H62	109.7°	90.0°
N4	C5	H51	109.4°	90.0°
N4	C5	H52	109.3°	90.0°
C5	N4	C3	122.8°	90.0°
H51	C5	H52	109.7°	90.0°
N4	C3	C2	106.7°	90.0°
N4	C3	H31	110.4°	90.0°
N4	C3	H32	111.0°	90.0°
C2	C3	H31	110.4°	90.0°
C2	C3	H32	111.0°	90.0°
C3	C2	H21	108.3°	90.0°
C3	C2	H22	107.5°	90.0°
H31	C3	H32	107.3°	90.0°
H21	C2	H22	112.3°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N14	C13	C12	H131	120.0°	90.0°
N14	C13	C12	H132	119.5°	90.0°
N14	C13	H131	H132	119.5°	90.0°
C13	N14	C1	NI1	180.0°	90.0°
C13	N14	C1	C2	147.8°	90.0°
C13	N14	C1	H11	92.2°	90.0°
C13	N14	C1	H12	26.2°	90.0°
C13	N14	NI1	N4	174.2°	90.0°
C13	N14	NI1	N11	5.5°	90.0°
C13	N14	NI1	N7	126.3°	90.0°
N14	C13	C12	N11	18.4°	90.0°
N14	C13	C12	H121	101.6°	90.0°
N14	C13	C12	H122	137.6°	90.0°
C12	C13	H131	H132	119.5°	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	120.0°	90.0°
C13	C12	N11	H122	119.2°	90.0°
C13	C12	H121	H122	119.2°	90.0°
C13	C12	N11	C10	164.8°	90.0°
H131	C13	N14	C1	45.3°	90.0°
H131	C13	N14	NI1	134.7°	90.0°
H131	C13	C12	N11	138.4°	90.0°
H131	C13	C12	H121	18.4°	90.0°
H131	C13	C12	H122	102.4°	90.0°
H132	C13	N14	C1	75.3°	90.0°
H132	C13	N14	NI1	104.8°	90.0°
H132	C13	C12	N11	101.1°	90.0°
H132	C13	C12	H121	138.9°	90.0°
H132	C13	C12	H122	18.1°	90.0°
N14	C1	C2	H11	120.0°	90.0°
N14	C1	C2	H12	121.7°	90.0°
N14	C1	H11	H12	121.8°	90.0°
C1	N14	NI1	N4	5.8°	90.0°
C1	N14	NI1	N11	174.4°	90.0°
C1	N14	NI1	N7	53.7°	90.0°
N14	C1	C2	C3	85.2°	90.0°
N14	C1	C2	H21	154.8°	90.0°
N14	C1	C2	H22	33.3°	90.0°
NI1	N14	C1	C2	32.1°	90.0°
NI1	N14	C1	H11	87.9°	90.0°
NI1	N14	C1	H12	153.8°	90.0°
N14	NI1	N4	N11	136.5°	90.0°
N14	NI1	N4	N7	179.6°	90.0°
N14	NI1	N11	N7	179.6°	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	C3	10.0°	90.0°
C2	C1	H11	H12	121.8°	90.0°
C1	C2	C3	N4	81.0°	90.0°
C1	C2	C3	H21	120.0°	90.0°
C1	C2	C3	H22	118.5°	90.0°
C1	C2	C3	H31	39.0°	90.0°
C1	C2	C3	H32	157.9°	90.0°
C1	C2	H21	H22	118.6°	90.0°
H11	C1	C2	C3	34.8°	90.0°
H11	C1	C2	H21	85.2°	90.0°
H11	C1	C2	H22	153.3°	90.0°
H12	C1	C2	C3	153.2°	90.0°
H12	C1	C2	H21	33.2°	90.0°
H12	C1	C2	H22	88.4°	90.0°
N4	NI1	N11	N7	43.0°	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	C3	179.8°	90.0°
NI1	N4	C5	H51	96.5°	90.0°
NI1	N4	C5	H52	143.3°	90.0°
NI1	N4	C3	C2	24.8°	90.0°
NI1	N4	C3	H31	95.1°	90.0°
NI1	N4	C3	H32	145.9°	90.0°
NI1	N11	C12	C10	179.6°	90.0°
NI1	N11	C12	H121	105.1°	90.0°
NI1	N11	C12	H122	134.1°	90.0°
NI1	N11	C10	C9	36.5°	90.0°
NI1	N11	C10	H101	156.5°	90.0°
NI1	N11	C10	H102	84.7°	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	C3	146.5°	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	80.4°	90.0°
NI1	N7	C8	H82	161.0°	90.0°
NI1	N7	C6	C5	21.4°	90.0°
NI1	N7	C6	H61	141.4°	90.0°
NI1	N7	C6	H62	98.5°	90.0°
N7	NI1	N4	C5	9.8°	90.0°
N7	NI1	N4	C3	170.4°	90.0°
N11	C12	H121	H122	119.2°	90.0°
C12	N11	C10	C9	143.9°	90.0°
C12	N11	C10	H101	23.9°	90.0°
C12	N11	C10	H102	94.9°	90.0°
H121	C12	N11	C10	75.2°	90.0°
H122	C12	N11	C10	45.5°	90.0°
N11	C10	C9	H101	120.0°	90.0°
N11	C10	C9	H102	121.2°	90.0°
N11	C10	H101	H102	121.3°	90.0°
N11	C10	C9	C8	82.3°	90.0°
N11	C10	C9	H91	37.7°	90.0°
N11	C10	C9	H92	159.2°	90.0°
C9	C10	H101	H102	121.3°	90.0°
C10	C9	C8	H91	120.0°	90.0°
C10	C9	C8	H92	118.4°	90.0°
C10	C9	H91	H92	118.5°	90.0°
C10	C9	C8	N7	84.1°	90.0°
C10	C9	C8	H81	35.9°	90.0°
C10	C9	C8	H82	154.4°	90.0°
H101	C10	C9	C8	157.7°	90.0°
H101	C10	C9	H91	82.3°	90.0°
H101	C10	C9	H92	39.3°	90.0°
H102	C10	C9	C8	38.9°	90.0°
H102	C10	C9	H91	158.9°	90.0°
H102	C10	C9	H92	79.5°	90.0°
C8	C9	H91	H92	118.5°	90.0°
C9	C8	N7	H81	120.0°	90.0°
C9	C8	N7	H82	121.4°	90.0°
C9	C8	H81	H82	121.5°	90.0°
C9	C8	N7	C6	140.8°	90.0°
H91	C9	C8	N7	35.9°	90.0°
H91	C9	C8	H81	155.9°	90.0°
H91	C9	C8	H82	85.5°	90.0°
H92	C9	C8	N7	157.5°	90.0°
H92	C9	C8	H81	82.5°	90.0°
H92	C9	C8	H82	36.0°	90.0°
N7	C8	H81	H82	121.5°	90.0°
C8	N7	C6	C5	158.3°	90.0°
C8	N7	C6	H61	38.2°	90.0°
C8	N7	C6	H62	81.9°	90.0°
H81	C8	N7	C6	99.2°	90.0°
H82	C8	N7	C6	19.3°	90.0°
N7	C6	C5	H61	120.0°	90.0°
N7	C6	C5	H62	119.9°	90.0°
N7	C6	H61	H62	119.9°	90.0°
N7	C6	C5	N4	27.8°	90.0°
N7	C6	C5	H51	92.2°	90.0°
N7	C6	C5	H52	147.7°	90.0°
C5	C6	H61	H62	119.9°	90.0°
C6	C5	N4	H51	120.0°	90.0°
C6	C5	N4	H52	119.9°	90.0°
C6	C5	H51	H52	119.8°	90.0°
C6	C5	N4	C3	156.8°	90.0°
H61	C6	C5	N4	147.8°	90.0°
H61	C6	C5	H51	27.8°	90.0°
H61	C6	C5	H52	92.3°	90.0°
H62	C6	C5	N4	92.0°	90.0°
H62	C6	C5	H51	148.0°	90.0°
H62	C6	C5	H52	27.9°	90.0°
N4	C5	H51	H52	119.9°	90.0°
C5	N4	C3	C2	155.4°	90.0°
C5	N4	C3	H31	84.6°	90.0°
C5	N4	C3	H32	34.3°	90.0°
H51	C5	N4	C3	83.3°	90.0°
H52	C5	N4	C3	36.9°	90.0°
N4	C3	C2	H31	120.0°	90.0°
N4	C3	C2	H32	121.1°	90.0°
N4	C3	H31	H32	121.2°	90.0°
N4	C3	C2	H21	159.0°	90.0°
N4	C3	C2	H22	37.4°	90.0°
C2	C3	H31	H32	121.1°	90.0°
C3	C2	H21	H22	118.6°	90.0°
H31	C3	C2	H21	81.0°	90.0°
H31	C3	C2	H22	157.4°	90.0°
H32	C3	C2	H21	37.9°	90.0°
H32	C3	C2	H22	83.6°	90.0°

Definition date:	2006-06-19
Last modified:	2021-03-01
Release status:	REL
Processing site:	RCSB