COO

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C13	O1	sing	1.43Å	51.39Å
C13	H13	sing	1.10Å	1.10Å
C13	C1	sing	1.53Å	51.39Å
C13	C11	sing	1.56Å	1.52Å
C11	C15	sing	1.55Å	52.13Å
C11	C14	sing	1.54Å	1.53Å
C11	C12	sing	1.55Å	1.54Å
C14	H141	sing	1.10Å	1.10Å
C14	H142	sing	1.10Å	1.10Å
C14	H143	sing	1.10Å	1.10Å
C12	H121	sing	1.09Å	1.10Å
C12	H122	sing	1.10Å	1.10Å
C12	O6A	sing	1.42Å	1.47Å
O6A	P2A	sing	1.61Å	1.67Å
P2A	O4A	doub	1.50Å	1.63Å
P2A	O5A	sing	1.62Å	1.62Å
P2A	O3A	sing	1.62Å	1.56Å
O5A	H5A	sing	0.98Å	0.95Å
O3A	P1A	sing	1.62Å	1.60Å
P1A	O2A	doub	1.50Å	1.65Å
P1A	O1A	sing	1.62Å	1.51Å
P1A	O5X	sing	1.62Å	1.59Å
O1A	H1A	sing	0.98Å	0.95Å
O5X	C5X	sing	1.42Å	1.42Å
C5X	H5X1	sing	1.09Å	1.10Å
C5X	H5X2	sing	1.09Å	1.10Å
C5X	C4X	sing	1.52Å	1.53Å
C4X	H4X	sing	1.10Å	1.10Å
C4X	O4X	sing	1.44Å	1.47Å
C4X	C3X	sing	1.52Å	1.53Å
O4X	C1X	sing	1.44Å	1.46Å
C3X	C2X	sing	1.52Å	1.52Å
C3X	H3X	sing	1.10Å	1.10Å
C3X	O3X	sing	1.41Å	1.42Å
O3X	P3X	sing	1.61Å	1.60Å
P3X	O9A	doub	1.50Å	1.62Å
P3X	O7A	sing	1.62Å	1.62Å
P3X	O8A	sing	1.62Å	1.48Å
O7A	H7A	sing	0.98Å	0.95Å
O8A	H2	sing	0.98Å	0.95Å
C2X	C1X	sing	1.53Å	1.53Å
C2X	H2X	sing	1.09Å	1.10Å
C2X	O2X	sing	1.43Å	1.43Å
O2X	H1	sing	0.97Å	0.95Å
C1X	H1X	sing	1.09Å	1.10Å
C1X	N9A	sing	1.46Å	1.48Å
N9A	C8A	sing	1.37Å	1.33Å	Aromatic
N9A	C4A	sing	1.37Å	1.33Å	Aromatic
C8A	H8A	sing	1.08Å	1.08Å
C8A	N7A	doub	1.32Å	1.33Å	Aromatic
N7A	C5A	sing	1.37Å	1.33Å	Aromatic
C5A	C6A	doub	1.39Å	1.39Å	Aromatic
C5A	C4A	sing	1.39Å	1.39Å	Aromatic
C4A	N3A	doub	1.34Å	1.34Å	Aromatic
N3A	C2A	sing	1.35Å	1.33Å	Aromatic
C2A	N1A	doub	1.35Å	1.33Å	Aromatic
C2A	H2A	sing	1.09Å	1.08Å
N1A	C6A	sing	1.36Å	1.33Å	Aromatic
C6A	N6A	sing	1.41Å	1.33Å
N6A	H6A1	sing	1.00Å	1.00Å
N6A	H6A2	sing	1.00Å	1.00Å
O1	HO1	sing	0.97Å	0.00Å
C1	O2	doub	1.23Å	0.00Å
C1	N1	sing	1.39Å	0.00Å
N1	HN1	sing	1.02Å	0.00Å
N1	C2	sing	1.44Å	0.00Å
C2	H21	sing	1.10Å	0.00Å
C2	H22	sing	1.10Å	0.00Å
C2	C3	sing	1.52Å	0.00Å
C3	H31	sing	1.10Å	0.00Å
C3	H32	sing	1.10Å	0.00Å
C3	C4	sing	1.52Å	0.00Å
C4	O3	doub	1.23Å	0.00Å
C4	N2	sing	1.39Å	0.00Å
N2	HN2	sing	1.02Å	0.00Å
N2	C5	sing	1.44Å	0.00Å
C5	H51	sing	1.10Å	0.00Å
C5	H52	sing	1.10Å	0.00Å
C5	C6	sing	1.52Å	0.00Å
C6	H61	sing	1.09Å	0.00Å
C6	H62	sing	1.09Å	0.00Å
C6	S1	sing	1.82Å	0.00Å
S1	C7	sing	1.76Å	0.00Å
C7	O4	doub	1.22Å	0.00Å
C7	C8	sing	1.48Å	0.00Å
C8	H8	sing	1.08Å	0.00Å
C8	C9	doub	1.34Å	0.00Å
C9	H9	sing	1.09Å	0.00Å
C9	C10	sing	1.49Å	0.00Å
C10	H101	sing	1.09Å	0.00Å
C10	H102	sing	1.09Å	0.00Å
C10	H103	sing	1.09Å	0.00Å
C15	H151	sing	1.10Å	0.00Å
C15	H152	sing	1.10Å	0.00Å
C15	H153	sing	1.10Å	0.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C13	H13	150.0°	107.1°
O1	C13	C1	0.0°	106.5°
O1	C13	C11	118.4°	109.8°
C13	O1	HO1	90.0°	106.6°
H13	C13	C1	150.0°	109.2°
H13	C13	C11	91.6°	109.8°
C1	C13	C11	118.4°	114.2°
C13	C1	O2	90.0°	122.2°
C13	C1	N1	90.0°	112.8°
C13	C11	C15	60.1°	108.5°
C13	C11	C14	110.7°	111.0°
C13	C11	C12	111.1°	111.2°
C15	C11	C14	78.4°	107.4°
C15	C11	C12	81.1°	108.8°
C11	C15	H151	90.0°	111.0°
C11	C15	H152	90.0°	111.7°
C11	C15	H153	90.0°	111.5°
C14	C11	C12	114.1°	109.8°
C11	C14	H141	109.5°	111.5°
C11	C14	H142	109.5°	111.0°
C11	C14	H143	109.5°	111.6°
C11	C12	H121	109.8°	111.0°
C11	C12	H122	109.9°	111.1°
C11	C12	O6A	108.6°	111.1°
H141	C14	H142	109.5°	107.3°
H141	C14	H143	109.5°	107.0°
H142	C14	H143	109.5°	108.2°
H121	C12	H122	108.8°	108.3°
H121	C12	O6A	109.8°	107.5°
H122	C12	O6A	110.0°	107.8°
C12	O6A	P2A	128.9°	118.3°
O6A	P2A	O4A	106.3°	115.8°
O6A	P2A	O5A	110.0°	104.0°
O6A	P2A	O3A	115.6°	102.8°
O4A	P2A	O5A	109.5°	115.0°
O4A	P2A	O3A	108.8°	114.6°
O5A	P2A	O3A	106.6°	103.0°
P2A	O5A	H5A	109.5°	118.9°
P2A	O3A	P1A	121.7°	131.0°
O3A	P1A	O2A	108.9°	114.2°
O3A	P1A	O1A	113.2°	103.3°
O3A	P1A	O5X	98.9°	104.6°
O2A	P1A	O1A	112.3°	114.3°
O2A	P1A	O5X	102.9°	114.8°
O1A	P1A	O5X	119.4°	104.4°
P1A	O1A	H1A	109.5°	118.9°
P1A	O5X	C5X	125.7°	120.0°
O5X	C5X	H5X1	110.5°	108.8°
O5X	C5X	H5X2	111.2°	108.8°
O5X	C5X	C4X	106.4°	109.0°
H5X1	C5X	H5X2	107.1°	109.2°
H5X1	C5X	C4X	110.5°	110.5°
H5X2	C5X	C4X	111.2°	110.5°
C5X	C4X	H4X	109.6°	108.7°
C5X	C4X	O4X	109.2°	109.7°
C5X	C4X	C3X	107.6°	113.5°
H4X	C4X	O4X	111.6°	108.3°
H4X	C4X	C3X	113.1°	111.3°
O4X	C4X	C3X	105.5°	105.2°
C4X	O4X	C1X	107.8°	108.3°
C4X	C3X	C2X	103.0°	102.3°
C4X	C3X	H3X	113.9°	110.2°
C4X	C3X	O3X	109.3°	112.1°
O4X	C1X	C2X	103.3°	107.6°
O4X	C1X	H1X	115.8°	108.3°
O4X	C1X	N9A	107.6°	109.5°
C2X	C3X	H3X	113.3°	109.6°
C2X	C3X	O3X	110.0°	113.5°
C3X	C2X	C1X	99.6°	102.8°
C3X	C2X	H2X	116.2°	112.6°
C3X	C2X	O2X	110.0°	111.3°
H3X	C3X	O3X	107.4°	109.0°
C3X	O3X	P3X	116.5°	118.2°
O3X	P3X	O9A	105.8°	115.1°
O3X	P3X	O7A	103.0°	103.8°
O3X	P3X	O8A	112.0°	102.6°
O9A	P3X	O7A	107.4°	115.3°
O9A	P3X	O8A	112.8°	115.0°
O7A	P3X	O8A	114.9°	103.3°
P3X	O7A	H7A	109.5°	118.9°
P3X	O8A	H2	109.5°	118.9°
C1X	C2X	H2X	114.6°	114.0°
C1X	C2X	O2X	111.7°	109.3°
C2X	C1X	H1X	110.6°	112.5°
C2X	C1X	N9A	113.0°	113.6°
H2X	C2X	O2X	104.9°	106.9°
C2X	O2X	H1	109.5°	107.3°
H1X	C1X	N9A	106.6°	105.2°
C1X	N9A	C8A	125.7°	126.1°
C1X	N9A	C4A	126.3°	126.9°
C8A	N9A	C4A	107.9°	106.9°
N9A	C8A	H8A	125.4°	122.2°
N9A	C8A	N7A	109.3°	112.3°
N9A	C4A	C5A	107.6°	105.2°
N9A	C4A	N3A	133.2°	127.5°
H8A	C8A	N7A	125.3°	125.6°
C8A	N7A	C5A	108.3°	104.8°
N7A	C5A	C6A	134.3°	132.4°
N7A	C5A	C4A	106.8°	110.7°
C6A	C5A	C4A	118.9°	116.8°
C5A	C6A	N1A	118.6°	119.1°
C5A	C6A	N6A	122.0°	120.7°
C5A	C4A	N3A	119.2°	127.3°
C4A	N3A	C2A	120.4°	110.4°
N3A	C2A	N1A	121.6°	128.9°
N3A	C2A	H2A	119.2°	115.6°
N1A	C2A	H2A	119.2°	115.5°
C2A	N1A	C6A	121.3°	117.5°
N1A	C6A	N6A	119.4°	120.2°
C6A	N6A	H6A1	109.5°	119.4°
C6A	N6A	H6A2	109.5°	119.5°
H6A1	N6A	H6A2	109.5°	120.8°
O2	C1	N1	90.0°	125.0°
C1	N1	HN1	90.0°	119.4°
C1	N1	C2	90.0°	123.0°
HN1	N1	C2	90.0°	117.5°
N1	C2	H21	90.0°	109.3°
N1	C2	H22	90.0°	109.3°
N1	C2	C3	90.0°	109.8°
H21	C2	H22	90.0°	107.3°
H21	C2	C3	90.0°	110.6°
H22	C2	C3	90.0°	110.5°
C2	C3	H31	90.0°	110.0°
C2	C3	H32	90.0°	110.0°
C2	C3	C4	90.0°	112.5°
H31	C3	H32	90.0°	107.4°
H31	C3	C4	90.0°	108.4°
H32	C3	C4	90.0°	108.4°
C3	C4	O3	90.0°	123.2°
C3	C4	N2	90.0°	111.6°
O3	C4	N2	90.0°	125.2°
C4	N2	HN2	90.0°	118.6°
C4	N2	C5	90.0°	122.9°
HN2	N2	C5	90.0°	118.6°
N2	C5	H51	90.0°	106.6°
N2	C5	H52	90.0°	108.0°
N2	C5	C6	90.0°	113.0°
H51	C5	H52	90.0°	107.7°
H51	C5	C6	90.0°	109.4°
H52	C5	C6	90.0°	111.9°
C5	C6	H61	90.0°	110.8°
C5	C6	H62	90.0°	109.5°
C5	C6	S1	90.0°	112.2°
H61	C6	H62	90.0°	108.1°
H61	C6	S1	90.0°	108.5°
H62	C6	S1	90.0°	107.6°
C6	S1	C7	90.0°	100.1°
S1	C7	O4	90.0°	123.8°
S1	C7	C8	90.0°	112.2°
O4	C7	C8	90.0°	124.0°
C7	C8	H8	90.0°	119.4°
C7	C8	C9	90.0°	119.8°
H8	C8	C9	90.0°	120.8°
C8	C9	H9	90.0°	120.7°
C8	C9	C10	90.0°	123.3°
H9	C9	C10	90.0°	116.0°
C9	C10	H101	90.0°	109.9°
C9	C10	H102	90.0°	112.3°
C9	C10	H103	90.0°	109.9°
H101	C10	H102	90.0°	108.1°
H101	C10	H103	90.0°	108.3°
H102	C10	H103	90.0°	108.2°
H151	C15	H152	90.0°	107.4°
H151	C15	H153	90.0°	107.8°
H152	C15	H153	90.0°	107.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C13	H13	C1	0.0°	114.9°
O1	C13	H13	C11	180.0°	119.2°
O1	C13	C1	C11	90.0°	121.3°
O1	C13	C11	C15	0.0°	60.6°
O1	C13	C11	C14	62.2°	178.5°
O1	C13	C11	C12	65.6°	59.1°
O1	C13	C1	O2	90.0°	34.7°
O1	C13	C1	N1	90.0°	144.1°
H13	C13	C1	C11	179.9°	123.3°
H13	C13	C11	C15	180.0°	56.9°
H13	C13	C11	C14	117.8°	60.9°
H13	C13	C11	C12	114.4°	176.6°
H13	C13	O1	HO1	90.0°	135.7°
H13	C13	C1	O2	90.0°	150.0°
H13	C13	C1	N1	90.0°	28.8°
C1	C13	C11	C15	0.0°	179.9°
C1	C13	C11	C14	62.2°	62.1°
C1	C13	C11	C12	65.6°	60.4°
C1	C13	O1	HO1	90.0°	19.0°
C13	C1	O2	N1	90.0°	178.7°
C13	C1	N1	HN1	90.0°	0.6°
C13	C1	N1	C2	90.0°	178.8°
C13	C11	C15	C14	122.3°	120.1°
C13	C11	C15	C12	120.7°	121.1°
C13	C11	C14	C12	126.2°	123.3°
C13	C11	C14	H141	82.2°	171.8°
C13	C11	C14	H142	157.8°	52.2°
C13	C11	C14	H143	37.8°	68.6°
C13	C11	C12	H121	133.8°	60.5°
C13	C11	C12	H122	14.2°	60.1°
C13	C11	C12	O6A	106.1°	180.0°
C11	C13	O1	HO1	90.0°	105.1°
C11	C13	C1	O2	90.0°	86.6°
C11	C13	C1	N1	90.0°	94.5°
C13	C11	C15	H151	90.0°	55.9°
C13	C11	C15	H152	90.0°	175.6°
C13	C11	C15	H153	90.0°	64.3°
C15	C11	C14	C12	74.6°	118.2°
C15	C11	C14	H141	30.6°	53.2°
C15	C11	C14	H142	150.6°	66.4°
C15	C11	C14	H143	89.3°	172.9°
C15	C11	C12	H121	80.8°	180.0°
C15	C11	C12	H122	38.9°	59.4°
C15	C11	C12	O6A	159.2°	60.5°
C11	C15	H151	H152	90.0°	122.3°
C11	C15	H151	H153	90.0°	122.4°
C11	C15	H152	H153	90.0°	122.5°
C11	C14	H141	H142	120.0°	121.8°
C11	C14	H141	H143	120.0°	122.3°
C11	C14	H142	H143	120.0°	122.8°
C14	C11	C12	H121	7.9°	62.7°
C14	C11	C12	H122	111.7°	176.8°
C14	C11	C12	O6A	127.9°	56.8°
C14	C11	C15	H151	90.0°	64.3°
C14	C11	C15	H152	90.0°	55.5°
C14	C11	C15	H153	90.0°	175.6°
C12	C11	C14	H141	44.0°	65.0°
C12	C11	C14	H142	76.0°	175.5°
C12	C11	C14	H143	163.9°	54.7°
C11	C12	H121	H122	120.3°	122.2°
C11	C12	H121	O6A	119.3°	121.6°
C11	C12	H122	O6A	119.5°	121.9°
C11	C12	O6A	P2A	124.2°	180.0°
C12	C11	C15	H151	90.0°	177.0°
C12	C11	C15	H152	90.0°	63.3°
C12	C11	C15	H153	90.0°	56.8°
H141	C14	H142	H143	120.0°	115.1°
H121	C12	H122	O6A	120.2°	116.0°
H121	C12	O6A	P2A	115.8°	58.4°
H122	C12	O6A	P2A	3.8°	58.1°
C12	O6A	P2A	O4A	171.9°	180.0°
C12	O6A	P2A	O5A	69.6°	52.9°
C12	O6A	P2A	O3A	51.1°	54.2°
O6A	P2A	O4A	O5A	118.8°	121.4°
O6A	P2A	O4A	O3A	125.1°	119.5°
O6A	P2A	O5A	O3A	126.0°	107.0°
O6A	P2A	O5A	H5A	94.9°	79.1°
O6A	P2A	O3A	P1A	76.8°	66.5°
O4A	P2A	O5A	O3A	117.6°	125.4°
O4A	P2A	O5A	H5A	21.5°	48.5°
O4A	P2A	O3A	P1A	42.6°	60.0°
O5A	P2A	O3A	P1A	160.6°	174.4°
O3A	P2A	O5A	H5A	139.1°	173.9°
P2A	O3A	P1A	O2A	55.8°	60.0°
P2A	O3A	P1A	O1A	69.9°	64.7°
P2A	O3A	P1A	O5X	162.8°	173.7°
O3A	P1A	O2A	O1A	126.2°	118.6°
O3A	P1A	O2A	O5X	104.2°	120.7°
O3A	P1A	O1A	O5X	115.7°	109.1°
O3A	P1A	O1A	H1A	113.5°	170.8°
O3A	P1A	O5X	C5X	77.8°	54.1°
O2A	P1A	O1A	O5X	120.5°	126.2°
O2A	P1A	O1A	H1A	10.3°	46.2°
O2A	P1A	O5X	C5X	170.4°	180.0°
O1A	P1A	O5X	C5X	45.2°	54.1°
O5X	P1A	O1A	H1A	130.8°	80.1°
P1A	O5X	C5X	H5X1	24.6°	59.5°
P1A	O5X	C5X	H5X2	94.1°	59.4°
P1A	O5X	C5X	C4X	144.6°	180.0°
O5X	C5X	H5X1	H5X2	121.2°	118.6°
O5X	C5X	H5X1	C4X	117.5°	119.6°
O5X	C5X	H5X2	C4X	118.3°	119.6°
O5X	C5X	C4X	H4X	176.8°	63.9°
O5X	C5X	C4X	O4X	60.7°	177.9°
O5X	C5X	C4X	C3X	53.4°	60.5°
H5X1	C5X	H5X2	C4X	120.8°	121.8°
H5X1	C5X	C4X	H4X	56.8°	55.6°
H5X1	C5X	C4X	O4X	179.4°	62.6°
H5X1	C5X	C4X	C3X	66.6°	180.0°
H5X2	C5X	C4X	H4X	62.0°	176.6°
H5X2	C5X	C4X	O4X	60.6°	58.4°
H5X2	C5X	C4X	C3X	174.6°	59.0°
C5X	C4X	H4X	O4X	121.1°	119.1°
C5X	C4X	H4X	C3X	120.1°	125.7°
C5X	C4X	O4X	C3X	115.4°	122.5°
C5X	C4X	O4X	C1X	120.4°	148.9°
C5X	C4X	C3X	C2X	93.2°	157.1°
C5X	C4X	C3X	H3X	29.9°	40.6°
C5X	C4X	C3X	O3X	150.0°	81.0°
H4X	C4X	O4X	C3X	123.2°	119.1°
H4X	C4X	O4X	C1X	118.3°	92.6°
H4X	C4X	C3X	C2X	145.5°	79.9°
H4X	C4X	C3X	H3X	91.4°	163.5°
H4X	C4X	C3X	O3X	28.7°	42.0°
O4X	C4X	C3X	C2X	23.3°	37.1°
O4X	C4X	C3X	H3X	146.4°	79.4°
O4X	C4X	C3X	O3X	93.5°	159.0°
C4X	O4X	C1X	C2X	31.3°	5.1°
C4X	O4X	C1X	H1X	89.9°	116.8°
C4X	O4X	C1X	N9A	151.1°	129.0°
C3X	C4X	O4X	C1X	5.0°	26.4°
C4X	C3X	C2X	H3X	123.5°	117.0°
C4X	C3X	C2X	O3X	116.4°	121.0°
C4X	C3X	H3X	O3X	121.1°	123.4°
C4X	C3X	O3X	P3X	134.8°	175.3°
C4X	C3X	C2X	C1X	40.8°	32.8°
C4X	C3X	C2X	H2X	82.7°	156.0°
C4X	C3X	C2X	O2X	158.3°	84.0°
O4X	C1X	C2X	C3X	44.5°	18.1°
O4X	C1X	C2X	H1X	124.5°	119.2°
O4X	C1X	C2X	N9A	116.0°	121.4°
O4X	C1X	C2X	H2X	80.1°	140.3°
O4X	C1X	C2X	O2X	160.7°	100.1°
O4X	C1X	H1X	N9A	119.7°	116.9°
O4X	C1X	N9A	C8A	44.6°	33.9°
O4X	C1X	N9A	C4A	135.0°	146.1°
C2X	C3X	H3X	O3X	121.6°	124.7°
C2X	C3X	O3X	P3X	112.8°	60.0°
C3X	C2X	C1X	H2X	124.7°	122.2°
C3X	C2X	C1X	O2X	116.2°	118.3°
C3X	C2X	H2X	O2X	121.7°	122.5°
C3X	C2X	O2X	H1	104.4°	163.3°
C3X	C2X	C1X	H1X	80.0°	137.4°
C3X	C2X	C1X	N9A	160.6°	103.2°
H3X	C3X	O3X	P3X	10.8°	62.4°
H3X	C3X	C2X	C1X	164.3°	84.1°
H3X	C3X	C2X	H2X	40.8°	39.0°
H3X	C3X	C2X	O2X	78.2°	159.0°
C3X	O3X	P3X	O9A	160.9°	60.0°
C3X	O3X	P3X	O7A	48.3°	173.0°
C3X	O3X	P3X	O8A	75.8°	65.7°
O3X	C3X	C2X	C1X	75.5°	153.8°
O3X	C3X	C2X	H2X	160.9°	83.1°
O3X	C3X	C2X	O2X	41.9°	36.9°
O3X	P3X	O9A	O7A	109.6°	120.9°
O3X	P3X	O9A	O8A	122.8°	119.0°
O3X	P3X	O7A	O8A	122.2°	106.8°
O3X	P3X	O7A	H7A	141.2°	175.7°
O3X	P3X	O8A	H2	19.3°	173.8°
O9A	P3X	O7A	O8A	126.4°	126.3°
O9A	P3X	O7A	H7A	107.4°	48.8°
O9A	P3X	O8A	H2	138.6°	48.0°
O7A	P3X	O8A	H2	97.9°	78.5°
O8A	P3X	O7A	H7A	19.0°	77.5°
C1X	C2X	H2X	O2X	122.9°	120.9°
C1X	C2X	O2X	H1	5.2°	50.4°
C2X	C1X	H1X	N9A	123.2°	124.2°
C2X	C1X	N9A	C8A	68.8°	86.5°
C2X	C1X	N9A	C4A	111.5°	93.6°
H2X	C2X	O2X	H1	129.9°	73.5°
H2X	C2X	C1X	H1X	155.3°	100.5°
H2X	C2X	C1X	N9A	35.9°	18.9°
O2X	C2X	C1X	H1X	36.2°	19.1°
O2X	C2X	C1X	N9A	83.3°	138.5°
H1X	C1X	N9A	C8A	169.4°	150.0°
H1X	C1X	N9A	C4A	10.2°	29.9°
C1X	N9A	C8A	C4A	179.7°	180.0°
C1X	N9A	C8A	H8A	0.1°	0.0°
C1X	N9A	C8A	N7A	179.9°	179.9°
C1X	N9A	C4A	C5A	180.0°	179.9°
C1X	N9A	C4A	N3A	0.4°	0.0°
N9A	C8A	H8A	N7A	180.0°	180.0°
N9A	C8A	N7A	C5A	0.1°	0.0°
C8A	N9A	C4A	C5A	0.2°	0.0°
C8A	N9A	C4A	N3A	179.9°	180.0°
C4A	N9A	C8A	H8A	179.8°	180.0°
C4A	N9A	C8A	N7A	0.2°	0.0°
N9A	C4A	C5A	N7A	0.2°	0.0°
N9A	C4A	C5A	C6A	180.0°	180.0°
N9A	C4A	C5A	N3A	179.7°	180.0°
N9A	C4A	N3A	C2A	179.9°	180.0°
H8A	C8A	N7A	C5A	180.0°	180.0°
C8A	N7A	C5A	C6A	179.9°	180.0°
C8A	N7A	C5A	C4A	0.1°	0.0°
N7A	C5A	C6A	C4A	179.8°	180.0°
N7A	C5A	C4A	N3A	179.9°	180.0°
N7A	C5A	C6A	N1A	179.8°	180.0°
N7A	C5A	C6A	N6A	0.1°	0.0°
C6A	C5A	C4A	N3A	0.3°	0.0°
C5A	C6A	N1A	C2A	0.2°	0.0°
C5A	C6A	N1A	N6A	179.7°	180.0°
C5A	C6A	N6A	H6A1	77.5°	65.9°
C5A	C6A	N6A	H6A2	42.5°	120.4°
C5A	C4A	N3A	C2A	0.3°	0.1°
C4A	C5A	C6A	N1A	0.0°	0.0°
C4A	C5A	C6A	N6A	179.7°	180.0°
C4A	N3A	C2A	N1A	0.0°	0.1°
C4A	N3A	C2A	H2A	180.0°	180.0°
N3A	C2A	N1A	H2A	180.0°	179.9°
N3A	C2A	N1A	C6A	0.3°	0.1°
C2A	N1A	C6A	N6A	180.0°	179.9°
H2A	C2A	N1A	C6A	179.7°	179.9°
N1A	C6A	N6A	H6A1	102.2°	114.1°
N1A	C6A	N6A	H6A2	137.8°	59.6°
C6A	N6A	H6A1	H6A2	120.0°	173.6°
O2	C1	N1	HN1	90.0°	178.2°
O2	C1	N1	C2	90.0°	0.0°
C1	N1	HN1	C2	90.0°	178.2°
C1	N1	C2	H21	90.0°	31.4°
C1	N1	C2	H22	90.0°	148.6°
C1	N1	C2	C3	90.0°	90.0°
HN1	N1	C2	H21	90.0°	146.7°
HN1	N1	C2	H22	90.0°	29.6°
HN1	N1	C2	C3	90.0°	91.8°
N1	C2	H21	H22	90.0°	118.4°
N1	C2	H21	C3	90.0°	121.0°
N1	C2	H22	C3	90.0°	121.0°
N1	C2	C3	H31	90.0°	59.7°
N1	C2	C3	H32	90.0°	58.4°
N1	C2	C3	C4	90.0°	179.4°
H21	C2	H22	C3	90.0°	120.6°
H21	C2	C3	H31	90.0°	61.0°
H21	C2	C3	H32	90.0°	179.1°
H21	C2	C3	C4	90.0°	60.0°
H22	C2	C3	H31	90.0°	179.6°
H22	C2	C3	H32	90.0°	62.3°
H22	C2	C3	C4	90.0°	58.7°
C2	C3	H31	H32	90.0°	119.7°
C2	C3	H31	C4	90.0°	123.4°
C2	C3	H32	C4	90.0°	123.4°
C2	C3	C4	O3	90.0°	0.1°
C2	C3	C4	N2	90.0°	180.0°
H31	C3	H32	C4	90.0°	116.9°
H31	C3	C4	O3	90.0°	121.8°
H31	C3	C4	N2	90.0°	58.1°
H32	C3	C4	O3	90.0°	122.0°
H32	C3	C4	N2	90.0°	58.1°
C3	C4	O3	N2	90.0°	179.9°
C3	C4	N2	HN2	90.0°	0.1°
C3	C4	N2	C5	90.0°	179.9°
O3	C4	N2	HN2	90.0°	180.0°
O3	C4	N2	C5	90.0°	0.0°
C4	N2	HN2	C5	90.0°	179.9°
C4	N2	C5	H51	90.0°	30.2°
C4	N2	C5	H52	90.0°	145.6°
C4	N2	C5	C6	90.0°	90.0°
HN2	N2	C5	H51	90.0°	149.8°
HN2	N2	C5	H52	90.0°	34.3°
HN2	N2	C5	C6	90.0°	90.0°
N2	C5	H51	H52	90.0°	115.7°
N2	C5	H51	C6	90.0°	122.5°
N2	C5	H52	C6	90.0°	125.0°
N2	C5	C6	H61	90.0°	60.0°
N2	C5	C6	H62	90.0°	179.1°
N2	C5	C6	S1	90.0°	61.4°
H51	C5	H52	C6	90.0°	120.3°
H51	C5	C6	H61	90.0°	58.5°
H51	C5	C6	H62	90.0°	60.6°
H51	C5	C6	S1	90.0°	180.0°
H52	C5	C6	H61	90.0°	177.8°
H52	C5	C6	H62	90.0°	58.7°
H52	C5	C6	S1	90.0°	60.7°
C5	C6	H61	H62	90.0°	120.0°
C5	C6	H61	S1	90.0°	123.6°
C5	C6	H62	S1	90.0°	122.2°
C5	C6	S1	C7	90.0°	177.2°
H61	C6	H62	S1	90.0°	117.0°
H61	C6	S1	C7	90.0°	60.0°
H62	C6	S1	C7	90.0°	56.7°
C6	S1	C7	O4	90.0°	29.9°
C6	S1	C7	C8	90.0°	150.0°
S1	C7	O4	C8	90.0°	179.9°
S1	C7	C8	H8	90.0°	0.0°
S1	C7	C8	C9	90.0°	180.0°
O4	C7	C8	H8	90.0°	180.0°
O4	C7	C8	C9	90.0°	0.1°
C7	C8	H8	C9	90.0°	179.9°
C7	C8	C9	H9	90.0°	0.0°
C7	C8	C9	C10	90.0°	180.0°
H8	C8	C9	H9	90.0°	179.9°
H8	C8	C9	C10	90.0°	0.1°
C8	C9	H9	C10	90.0°	180.0°
C8	C9	C10	H101	90.0°	120.3°
C8	C9	C10	H102	90.0°	0.1°
C8	C9	C10	H103	90.0°	120.6°
H9	C9	C10	H101	90.0°	59.7°
H9	C9	C10	H102	90.0°	179.9°
H9	C9	C10	H103	90.0°	59.4°
C9	C10	H101	H102	90.0°	122.9°
C9	C10	H101	H103	90.0°	120.0°
C9	C10	H102	H103	90.0°	121.5°
H101	C10	H102	H103	90.0°	117.2°
H151	C15	H152	H153	90.0°	115.6°

Definition date:	2006-08-01
Last modified:	2011-06-04
Release status:	REL
Processing site:	RCSB
Derived from:	2HW5