A71

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
N1	HN11	sing	0.00Å	1.00Å
N1	HN12	sing	0.00Å	1.00Å
N1	C2	sing	0.00Å	1.51Å
C2	H21	sing	0.00Å	1.10Å
C2	H22	sing	0.00Å	1.10Å
C2	C3	sing	0.00Å	1.55Å
C3	H31	sing	0.00Å	1.10Å
C3	H32	sing	0.00Å	1.10Å
C3	C4	sing	0.00Å	1.54Å
C4	H41	sing	0.00Å	1.10Å
C4	H42	sing	0.00Å	1.10Å
C4	C5	sing	0.00Å	1.54Å
C5	H51	sing	0.00Å	1.10Å
C5	H52	sing	0.00Å	1.10Å
C5	C6	sing	0.00Å	1.55Å
C6	H61	sing	0.00Å	1.10Å
C6	H62	sing	0.00Å	1.10Å
C6	C7	sing	0.00Å	1.54Å
C7	H71	sing	0.00Å	1.10Å
C7	H72	sing	0.00Å	1.10Å
C7	N8	sing	0.00Å	1.49Å
N8	HN81	sing	0.00Å	1.00Å
N8	HN82	sing	0.00Å	1.00Å
N8	PT	sing	0.00Å	1.99Å
N9	PT	sing	0.00Å	1.95Å
N9	HN91	sing	0.00Å	1.00Å
N9	HN92	sing	0.00Å	1.00Å
N9	HN93	sing	0.00Å	1.00Å
N10	PT	sing	0.00Å	1.98Å
N10	H101	sing	0.00Å	1.00Å
N10	H102	sing	0.00Å	1.00Å
N10	H103	sing	0.00Å	1.00Å
PT	N11	sing	0.00Å	1.99Å
N11	H111	sing	0.00Å	1.00Å
N11	H112	sing	0.00Å	1.00Å
N11	H113	sing	0.00Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
HN11	N1	HN12	109.5°	90.0°
HN11	N1	C2	109.5°	90.0°
HN12	N1	C2	109.5°	90.0°
N1	C2	H21	109.8°	90.0°
N1	C2	H22	109.8°	90.0°
N1	C2	C3	108.1°	90.0°
H21	C2	H22	109.5°	90.0°
H21	C2	C3	109.8°	90.0°
H22	C2	C3	109.8°	90.0°
C2	C3	H31	109.2°	90.0°
C2	C3	H32	109.2°	90.0°
C2	C3	C4	110.7°	90.0°
H31	C3	H32	109.5°	90.0°
H31	C3	C4	109.1°	90.0°
H32	C3	C4	109.2°	90.0°
C3	C4	H41	108.8°	90.0°
C3	C4	H42	108.7°	90.0°
C3	C4	C5	112.3°	90.0°
H41	C4	H42	109.5°	90.0°
H41	C4	C5	108.7°	90.0°
H42	C4	C5	108.8°	90.0°
C4	C5	H51	108.4°	90.0°
C4	C5	H52	108.3°	90.0°
C4	C5	C6	113.9°	90.0°
H51	C5	H52	109.5°	90.0°
H51	C5	C6	108.3°	90.0°
H52	C5	C6	108.3°	90.0°
C5	C6	H61	109.2°	90.0°
C5	C6	H62	109.2°	90.0°
C5	C6	C7	110.5°	90.0°
H61	C6	H62	109.5°	90.0°
H61	C6	C7	109.2°	90.0°
H62	C6	C7	109.2°	90.0°
C6	C7	H71	110.0°	90.0°
C6	C7	H72	110.1°	90.0°
C6	C7	N8	107.1°	90.0°
H71	C7	H72	109.5°	90.0°
H71	C7	N8	110.1°	90.0°
H72	C7	N8	110.0°	90.0°
C7	N8	HN81	108.8°	90.0°
C7	N8	HN82	108.8°	90.0°
C7	N8	PT	112.1°	90.0°
HN81	N8	HN82	109.5°	90.0°
HN81	N8	PT	108.8°	90.0°
HN82	N8	PT	108.8°	90.0°
N8	PT	N9	91.1°	90.0°
N8	PT	N10	88.6°	90.0°
N8	PT	N11	176.3°	90.0°
PT	N9	HN91	109.5°	90.0°
PT	N9	HN92	109.5°	90.0°
PT	N9	HN93	109.4°	90.0°
N9	PT	N10	179.6°	90.0°
N9	PT	N11	90.8°	90.0°
HN91	N9	HN92	109.5°	90.0°
HN91	N9	HN93	109.5°	90.0°
HN92	N9	HN93	109.5°	90.0°
PT	N10	H101	109.5°	90.0°
PT	N10	H102	109.5°	90.0°
PT	N10	H103	109.5°	90.0°
N10	PT	N11	89.5°	90.0°
H101	N10	H102	109.5°	90.0°
H101	N10	H103	109.5°	90.0°
H102	N10	H103	109.5°	90.0°
PT	N11	H111	109.5°	90.0°
PT	N11	H112	109.4°	90.0°
PT	N11	H113	109.5°	90.0°
H111	N11	H112	109.5°	90.0°
H111	N11	H113	109.5°	90.0°
H112	N11	H113	109.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
HN11	N1	HN12	C2	120.0°	90.0°
HN11	N1	C2	H21	60.2°	90.0°
HN11	N1	C2	H22	60.2°	90.0°
HN11	N1	C2	C3	180.0°	90.0°
HN12	N1	C2	H21	59.8°	90.0°
HN12	N1	C2	H22	179.8°	90.0°
HN12	N1	C2	C3	60.0°	90.0°
N1	C2	H21	H22	120.7°	90.0°
N1	C2	H21	C3	118.7°	90.0°
N1	C2	H22	C3	118.7°	90.0°
N1	C2	C3	H31	46.2°	90.0°
N1	C2	C3	H32	73.5°	90.0°
N1	C2	C3	C4	166.3°	90.0°
H21	C2	H22	C3	120.7°	90.0°
H21	C2	C3	H31	165.9°	90.0°
H21	C2	C3	H32	46.3°	90.0°
H21	C2	C3	C4	73.9°	90.0°
H22	C2	C3	H31	73.6°	90.0°
H22	C2	C3	H32	166.8°	90.0°
H22	C2	C3	C4	46.6°	90.0°
C2	C3	H31	H32	119.4°	90.0°
C2	C3	H31	C4	121.1°	90.0°
C2	C3	H32	C4	121.2°	90.0°
C2	C3	C4	H41	136.3°	90.0°
C2	C3	C4	H42	17.1°	90.0°
C2	C3	C4	C5	103.3°	90.0°
H31	C3	H32	C4	119.4°	90.0°
H31	C3	C4	H41	103.6°	90.0°
H31	C3	C4	H42	137.3°	90.0°
H31	C3	C4	C5	16.8°	90.0°
H32	C3	C4	H41	16.1°	90.0°
H32	C3	C4	H42	103.1°	90.0°
H32	C3	C4	C5	136.5°	90.0°
C3	C4	H41	H42	118.7°	90.0°
C3	C4	H41	C5	122.6°	90.0°
C3	C4	H42	C5	122.6°	90.0°
C3	C4	C5	H51	57.4°	90.0°
C3	C4	C5	H52	61.3°	90.0°
C3	C4	C5	C6	178.0°	90.0°
H41	C4	H42	C5	118.7°	90.0°
H41	C4	C5	H51	177.8°	90.0°
H41	C4	C5	H52	59.1°	90.0°
H41	C4	C5	C6	61.6°	90.0°
H42	C4	C5	H51	63.1°	90.0°
H42	C4	C5	H52	178.2°	90.0°
H42	C4	C5	C6	57.6°	90.0°
C4	C5	H51	H52	118.0°	90.0°
C4	C5	H51	C6	124.1°	90.0°
C4	C5	H52	C6	124.1°	90.0°
C4	C5	C6	H61	79.3°	90.0°
C4	C5	C6	H62	40.4°	90.0°
C4	C5	C6	C7	160.6°	90.0°
H51	C5	H52	C6	118.0°	90.0°
H51	C5	C6	H61	160.0°	90.0°
H51	C5	C6	H62	80.3°	90.0°
H51	C5	C6	C7	39.9°	90.0°
H52	C5	C6	H61	41.3°	90.0°
H52	C5	C6	H62	161.0°	90.0°
H52	C5	C6	C7	78.8°	90.0°
C5	C6	H61	H62	119.5°	90.0°
C5	C6	H61	C7	121.0°	90.0°
C5	C6	H62	C7	121.0°	90.0°
C5	C6	C7	H71	155.3°	90.0°
C5	C6	C7	H72	34.5°	90.0°
C5	C6	C7	N8	85.1°	90.0°
H61	C6	H62	C7	119.5°	90.0°
H61	C6	C7	H71	84.6°	90.0°
H61	C6	C7	H72	154.7°	90.0°
H61	C6	C7	N8	35.1°	90.0°
H62	C6	C7	H71	35.1°	90.0°
H62	C6	C7	H72	85.6°	90.0°
H62	C6	C7	N8	154.8°	90.0°
C6	C7	H71	H72	121.1°	90.0°
C6	C7	H71	N8	117.8°	90.0°
C6	C7	H72	N8	117.8°	90.0°
C6	C7	N8	HN81	178.9°	90.0°
C6	C7	N8	HN82	59.7°	90.0°
C6	C7	N8	PT	60.7°	90.0°
H71	C7	H72	N8	121.1°	90.0°
H71	C7	N8	HN81	61.4°	90.0°
H71	C7	N8	HN82	179.3°	90.0°
H71	C7	N8	PT	58.9°	90.0°
H72	C7	N8	HN81	59.3°	90.0°
H72	C7	N8	HN82	59.9°	90.0°
H72	C7	N8	PT	179.7°	90.0°
C7	N8	HN81	HN82	118.8°	90.0°
C7	N8	HN81	PT	122.4°	90.0°
C7	N8	HN82	PT	122.4°	90.0°
C7	N8	PT	N9	102.2°	90.0°
C7	N8	PT	N10	77.6°	90.0°
C7	N8	PT	N11	136.2°	90.0°
HN81	N8	HN82	PT	118.8°	90.0°
HN81	N8	PT	N9	137.4°	90.0°
HN81	N8	PT	N10	42.8°	90.0°
HN81	N8	PT	N11	15.9°	90.0°
HN82	N8	PT	N9	18.2°	90.0°
HN82	N8	PT	N10	162.0°	90.0°
HN82	N8	PT	N11	103.4°	90.0°
N8	PT	N9	N10	32.1°	90.0°
N8	PT	N9	N11	176.8°	90.0°
N8	PT	N9	HN91	180.0°	90.0°
N8	PT	N9	HN92	60.0°	90.0°
N8	PT	N9	HN93	60.0°	90.0°
N8	PT	N10	N11	176.8°	90.0°
N8	PT	N10	H101	180.0°	90.0°
N8	PT	N10	H102	60.0°	90.0°
N8	PT	N10	H103	60.0°	90.0°
N8	PT	N11	H111	180.0°	90.0°
N8	PT	N11	H112	60.0°	90.0°
N8	PT	N11	H113	60.0°	90.0°
PT	N9	HN91	HN92	120.0°	90.0°
PT	N9	HN91	HN93	120.0°	90.0°
PT	N9	HN92	HN93	120.0°	90.0°
N9	PT	N10	N11	151.1°	90.0°
N9	PT	N10	H101	147.9°	90.0°
N9	PT	N10	H102	27.9°	90.0°
N9	PT	N10	H103	92.1°	90.0°
N9	PT	N11	H111	58.5°	90.0°
N9	PT	N11	H112	178.5°	90.0°
N9	PT	N11	H113	61.5°	90.0°
HN91	N9	HN92	HN93	120.0°	90.0°
HN91	N9	PT	N10	147.9°	90.0°
HN91	N9	PT	N11	3.2°	90.0°
HN92	N9	PT	N10	92.1°	90.0°
HN92	N9	PT	N11	116.8°	90.0°
HN93	N9	PT	N10	27.9°	90.0°
HN93	N9	PT	N11	123.2°	90.0°
PT	N10	H101	H102	120.0°	90.0°
PT	N10	H101	H103	120.0°	90.0°
PT	N10	H102	H103	120.0°	90.0°
N10	PT	N11	H111	121.3°	90.0°
N10	PT	N11	H112	1.3°	90.0°
N10	PT	N11	H113	118.7°	90.0°
H101	N10	H102	H103	120.0°	90.0°
H101	N10	PT	N11	3.2°	90.0°
H102	N10	PT	N11	123.2°	90.0°
H103	N10	PT	N11	116.8°	90.0°
PT	N11	H111	H112	120.0°	90.0°
PT	N11	H111	H113	120.0°	90.0°
PT	N11	H112	H113	120.0°	90.0°
H111	N11	H112	H113	120.0°	90.0°

Definition date:	2006-10-10
Last modified:	2023-09-23
Release status:	REL
Processing site:	EBI
Derived from:	2DYW