MBV

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	doub	0.00Å	1.27Å
C1	N1	sing	0.00Å	1.45Å
C1	C2	sing	0.00Å	1.42Å
N1	C4	sing	0.00Å	1.46Å
N1	HN1	sing	0.00Å	1.02Å
C4	C3	sing	0.00Å	1.34Å
C4	C5	doub	0.00Å	1.45Å
C2	C3	doub	0.00Å	1.50Å
C2	C1A	sing	0.00Å	1.49Å
C3	C2A	sing	0.00Å	1.50Å
C1A	H1A1	sing	0.00Å	1.12Å
C1A	H1A2	sing	0.00Å	1.11Å
C1A	H1A3	sing	0.00Å	1.11Å
C2A	C3A	sing	0.00Å	1.52Å
C2A	H2A1	sing	0.00Å	1.12Å
C2A	H2A2	sing	0.00Å	1.11Å
C5	C6	sing	0.00Å	1.33Å
C5	HC5	sing	0.00Å	1.10Å
C6	N2	doub	0.00Å	1.47Å
C6	C7	sing	0.00Å	1.50Å
N2	C9	sing	0.00Å	1.46Å
C9	C8	sing	0.00Å	1.50Å
C9	C10	doub	0.00Å	1.34Å
C7	C8	doub	0.00Å	1.34Å
C7	C1B	sing	0.00Å	1.50Å
C8	C6B	sing	0.00Å	1.50Å
C1B	C2B	sing	0.00Å	1.52Å
C1B	H1B1	sing	0.00Å	1.11Å
C1B	H1B2	sing	0.00Å	1.11Å
C6B	H6B1	sing	0.00Å	1.12Å
C6B	H6B2	sing	0.00Å	1.11Å
C6B	H6B3	sing	0.00Å	1.11Å
C10	C11	sing	0.00Å	1.48Å
C10	H10	sing	0.00Å	1.10Å
C11	N3	sing	0.00Å	1.46Å	Aromatic
C11	C12	doub	0.00Å	1.33Å	Aromatic
N3	C14	sing	0.00Å	1.46Å	Aromatic
N3	HN3	sing	0.00Å	1.02Å
C14	C13	doub	0.00Å	1.33Å	Aromatic
C14	C15	sing	0.00Å	1.43Å
C12	C13	sing	0.00Å	1.50Å	Aromatic
C12	C6C	sing	0.00Å	1.54Å
C13	C1C	sing	0.00Å	1.50Å
C6C	H6C1	sing	0.00Å	1.11Å
C6C	H6C2	sing	0.00Å	1.12Å
C6C	H6C3	sing	0.00Å	1.12Å
C1C	C2C	sing	0.00Å	1.52Å
C1C	H1C1	sing	0.00Å	1.11Å
C1C	H1C2	sing	0.00Å	1.11Å
C15	C16	doub	0.00Å	1.34Å
C15	H15	sing	0.00Å	1.10Å
C16	N4	sing	0.00Å	1.35Å
C16	C17	sing	0.00Å	1.50Å
N4	C19	sing	0.00Å	1.37Å
N4	HN4	sing	0.00Å	1.02Å
C19	C18	sing	0.00Å	1.47Å
C19	O20	doub	0.00Å	1.25Å
C17	C18	doub	0.00Å	1.24Å
C17	C2D	sing	0.00Å	1.47Å
C18	C1D	sing	0.00Å	1.57Å
C2D	C3D	sing	0.00Å	1.53Å
C2D	H2D1	sing	0.00Å	1.11Å
C2D	H2D2	sing	0.00Å	1.11Å
C1D	H1D1	sing	0.00Å	1.11Å
C1D	H1D2	sing	0.00Å	1.11Å
C1D	H1D3	sing	0.00Å	1.12Å
C3A	H3A1	sing	0.00Å	1.12Å
C3A	H3A2	sing	0.00Å	1.11Å
C3A	H3A3	sing	0.00Å	1.11Å
C2B	C3B	sing	0.00Å	1.51Å
C2B	H2B1	sing	0.00Å	1.12Å
C2B	H2B2	sing	0.00Å	1.12Å
C3B	O4B	sing	0.00Å	1.34Å
C3B	O5B	doub	0.00Å	1.21Å
O4B	H4B	sing	0.00Å	0.95Å
C2C	C3C	sing	0.00Å	1.51Å
C2C	H2C1	sing	0.00Å	1.12Å
C2C	H2C2	sing	0.00Å	1.12Å
C3C	O4C	sing	0.00Å	1.34Å
C3C	O5C	doub	0.00Å	1.21Å
O4C	H4C	sing	0.00Å	0.95Å
C3D	H3D1	sing	0.00Å	1.12Å
C3D	H3D2	sing	0.00Å	1.11Å
C3D	H3D3	sing	0.00Å	1.12Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	N1	126.2°	90.0°
O1	C1	C2	126.9°	90.0°
N1	C1	C2	106.7°	90.0°
C1	N1	C4	107.6°	90.0°
C1	N1	HN1	126.0°	90.0°
C1	C2	C3	107.7°	90.0°
C1	C2	C1A	126.5°	90.0°
C4	N1	HN1	126.5°	90.0°
N1	C4	C3	109.7°	90.0°
N1	C4	C5	120.0°	90.0°
C3	C4	C5	129.6°	90.0°
C4	C3	C2	108.3°	90.0°
C4	C3	C2A	125.9°	90.0°
C4	C5	C6	129.0°	90.0°
C4	C5	HC5	120.6°	90.0°
C3	C2	C1A	125.7°	90.0°
C2	C3	C2A	125.7°	90.0°
C2	C1A	H1A1	126.4°	90.0°
C2	C1A	H1A2	106.2°	90.0°
C2	C1A	H1A3	106.2°	90.0°
C3	C2A	C3A	113.0°	90.0°
C3	C2A	H2A1	110.9°	90.0°
C3	C2A	H2A2	110.9°	90.0°
H1A1	C1A	H1A2	106.3°	90.0°
H1A1	C1A	H1A3	106.3°	90.0°
H1A2	C1A	H1A3	103.3°	90.0°
C3A	C2A	H2A1	110.9°	90.0°
C3A	C2A	H2A2	110.9°	90.0°
C2A	C3A	H3A1	113.0°	90.0°
C2A	C3A	H3A2	110.9°	90.0°
C2A	C3A	H3A3	110.9°	90.0°
H2A1	C2A	H2A2	99.3°	90.0°
C6	C5	HC5	110.5°	90.0°
C5	C6	N2	124.5°	90.0°
C5	C6	C7	127.2°	90.0°
N2	C6	C7	108.3°	90.0°
C6	N2	C9	105.2°	90.0°
C6	C7	C8	109.0°	90.0°
C6	C7	C1B	125.0°	90.0°
N2	C9	C8	108.3°	90.0°
N2	C9	C10	126.4°	90.0°
C8	C9	C10	125.4°	90.0°
C9	C8	C7	109.2°	90.0°
C9	C8	C6B	124.0°	90.0°
C9	C10	C11	124.5°	90.0°
C9	C10	H10	112.2°	90.0°
C8	C7	C1B	126.1°	90.0°
C7	C8	C6B	126.7°	90.0°
C7	C1B	C2B	110.5°	90.0°
C7	C1B	H1B1	111.9°	90.0°
C7	C1B	H1B2	111.9°	90.0°
C8	C6B	H6B1	124.0°	90.0°
C8	C6B	H6B2	107.1°	90.0°
C8	C6B	H6B3	107.0°	90.0°
C2B	C1B	H1B1	111.8°	90.0°
C2B	C1B	H1B2	111.8°	90.0°
C1B	C2B	C3B	112.1°	90.0°
C1B	C2B	H2B1	111.3°	90.0°
C1B	C2B	H2B2	111.3°	90.0°
H1B1	C1B	H1B2	98.5°	90.0°
H6B1	C6B	H6B2	107.1°	90.0°
H6B1	C6B	H6B3	107.0°	90.0°
H6B2	C6B	H6B3	102.7°	90.0°
C11	C10	H10	123.3°	90.0°
C10	C11	N3	129.7°	90.0°
C10	C11	C12	121.8°	90.0°
N3	C11	C12	108.5°	90.0°
C11	N3	C14	106.2°	90.0°
C11	N3	HN3	126.9°	90.0°
C11	C12	C13	108.4°	90.0°
C11	C12	C6C	126.5°	90.0°
C14	N3	HN3	126.9°	90.0°
N3	C14	C13	109.0°	90.0°
N3	C14	C15	117.9°	90.0°
C13	C14	C15	133.1°	90.0°
C14	C13	C12	107.9°	90.0°
C14	C13	C1C	127.7°	90.0°
C14	C15	C16	135.5°	90.0°
C14	C15	H15	116.7°	90.0°
C13	C12	C6C	125.0°	90.0°
C12	C13	C1C	124.4°	90.0°
C12	C6C	H6C1	126.6°	90.0°
C12	C6C	H6C2	106.2°	90.0°
C12	C6C	H6C3	106.2°	90.0°
C13	C1C	C2C	107.7°	90.0°
C13	C1C	H1C1	112.8°	90.0°
C13	C1C	H1C2	112.9°	90.0°
H6C1	C6C	H6C2	106.2°	90.0°
H6C1	C6C	H6C3	106.2°	90.0°
H6C2	C6C	H6C3	103.2°	90.0°
C2C	C1C	H1C1	112.9°	90.0°
C2C	C1C	H1C2	112.9°	90.0°
C1C	C2C	C3C	107.6°	90.0°
C1C	C2C	H2C1	112.9°	90.0°
C1C	C2C	H2C2	112.9°	90.0°
H1C1	C1C	H1C2	97.7°	90.0°
C16	C15	H15	107.7°	90.0°
C15	C16	N4	127.1°	90.0°
C15	C16	C17	129.3°	90.0°
N4	C16	C17	103.6°	90.0°
C16	N4	C19	109.6°	90.0°
C16	N4	HN4	124.7°	90.0°
C16	C17	C18	112.5°	90.0°
C16	C17	C2D	130.0°	90.0°
C19	N4	HN4	125.7°	90.0°
N4	C19	C18	108.2°	90.0°
N4	C19	O20	128.0°	90.0°
C18	C19	O20	123.8°	90.0°
C19	C18	C17	106.2°	90.0°
C19	C18	C1D	119.5°	90.0°
C18	C17	C2D	117.5°	90.0°
C17	C18	C1D	134.4°	90.0°
C17	C2D	C3D	127.6°	90.0°
C17	C2D	H2D1	105.8°	90.0°
C17	C2D	H2D2	105.9°	90.0°
C18	C1D	H1D1	119.4°	90.0°
C18	C1D	H1D2	108.6°	90.0°
C18	C1D	H1D3	108.6°	90.0°
C3D	C2D	H2D1	105.9°	90.0°
C3D	C2D	H2D2	105.9°	90.0°
C2D	C3D	H3D1	127.6°	90.0°
C2D	C3D	H3D2	105.8°	90.0°
C2D	C3D	H3D3	105.8°	90.0°
H2D1	C2D	H2D2	103.5°	90.0°
H1D1	C1D	H1D2	108.7°	90.0°
H1D1	C1D	H1D3	108.6°	90.0°
H1D2	C1D	H1D3	101.4°	90.0°
H3A1	C3A	H3A2	110.9°	90.0°
H3A1	C3A	H3A3	110.9°	90.0°
H3A2	C3A	H3A3	99.5°	90.0°
C3B	C2B	H2B1	111.2°	90.0°
C3B	C2B	H2B2	111.2°	90.0°
C2B	C3B	O4B	109.4°	90.0°
C2B	C3B	O5B	125.1°	90.0°
H2B1	C2B	H2B2	99.1°	90.0°
O4B	C3B	O5B	124.5°	90.0°
C3B	O4B	H4B	109.4°	90.0°
C3C	C2C	H2C1	112.9°	90.0°
C3C	C2C	H2C2	112.9°	90.0°
C2C	C3C	O4C	108.9°	90.0°
C2C	C3C	O5C	124.7°	90.0°
H2C1	C2C	H2C2	97.5°	90.0°
O4C	C3C	O5C	123.3°	90.0°
C3C	O4C	H4C	108.9°	90.0°
H3D1	C3D	H3D2	105.9°	90.0°
H3D1	C3D	H3D3	105.8°	90.0°
H3D2	C3D	H3D3	103.5°	90.0°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	N1	C2	174.5°	90.0°
O1	C1	N1	C4	175.2°	90.0°
O1	C1	N1	HN1	4.8°	90.0°
O1	C1	C2	C3	172.9°	90.0°
O1	C1	C2	C1A	11.4°	90.0°
C1	N1	C4	HN1	180.0°	90.0°
C1	N1	C4	C3	3.0°	90.0°
C1	N1	C4	C5	174.0°	90.0°
N1	C1	C2	C3	1.6°	90.0°
N1	C1	C2	C1A	174.2°	90.0°
C2	C1	N1	C4	0.7°	90.0°
C2	C1	N1	HN1	179.3°	90.0°
C1	C2	C3	C4	3.5°	90.0°
C1	C2	C3	C1A	175.8°	90.0°
C1	C2	C3	C2A	178.8°	90.0°
C1	C2	C1A	H1A1	180.0°	90.0°
C1	C2	C1A	H1A2	54.7°	90.0°
C1	C2	C1A	H1A3	54.7°	90.0°
N1	C4	C3	C5	169.9°	90.0°
N1	C4	C3	C2	3.9°	90.0°
N1	C4	C3	C2A	178.4°	90.0°
N1	C4	C5	C6	4.6°	90.0°
N1	C4	C5	HC5	175.4°	90.0°
HN1	N1	C4	C3	177.0°	90.0°
HN1	N1	C4	C5	5.9°	90.0°
C4	C3	C2	C2A	177.7°	90.0°
C4	C3	C2	C1A	172.3°	90.0°
C4	C3	C2A	C3A	87.4°	90.0°
C4	C3	C2A	H2A1	37.9°	90.0°
C4	C3	C2A	H2A2	147.3°	90.0°
C3	C4	C5	C6	173.7°	90.0°
C3	C4	C5	HC5	6.3°	90.0°
C5	C4	C3	C2	173.9°	90.0°
C5	C4	C3	C2A	8.4°	90.0°
C4	C5	C6	HC5	180.0°	90.0°
C4	C5	C6	N2	0.5°	90.0°
C4	C5	C6	C7	179.4°	90.0°
C3	C2	C1A	H1A1	5.0°	90.0°
C3	C2	C1A	H1A2	130.2°	90.0°
C3	C2	C1A	H1A3	120.3°	90.0°
C2	C3	C2A	C3A	90.0°	90.0°
C2	C3	C2A	H2A1	144.7°	90.0°
C2	C3	C2A	H2A2	35.4°	90.0°
C1A	C2	C3	C2A	5.4°	90.0°
C2	C1A	H1A1	H1A2	125.2°	90.0°
C2	C1A	H1A1	H1A3	125.2°	90.0°
C2	C1A	H1A2	H1A3	111.5°	90.0°
C3	C2A	C3A	H2A1	125.3°	90.0°
C3	C2A	C3A	H2A2	125.3°	90.0°
C3	C2A	H2A1	H2A2	116.8°	90.0°
C3	C2A	C3A	H3A1	180.0°	90.0°
C3	C2A	C3A	H3A2	54.8°	90.0°
C3	C2A	C3A	H3A3	54.7°	90.0°
H1A1	C1A	H1A2	H1A3	111.7°	90.0°
C3A	C2A	H2A1	H2A2	116.8°	90.0°
C2A	C3A	H3A1	H3A2	125.2°	90.0°
C2A	C3A	H3A1	H3A3	125.3°	90.0°
C2A	C3A	H3A2	H3A3	116.8°	90.0°
H2A1	C2A	C3A	H3A1	54.7°	90.0°
H2A1	C2A	C3A	H3A2	179.9°	90.0°
H2A1	C2A	C3A	H3A3	70.6°	90.0°
H2A2	C2A	C3A	H3A1	54.6°	90.0°
H2A2	C2A	C3A	H3A2	70.6°	90.0°
H2A2	C2A	C3A	H3A3	179.9°	90.0°
C5	C6	N2	C7	180.0°	90.0°
C5	C6	N2	C9	179.9°	90.0°
C5	C6	C7	C8	179.9°	90.0°
C5	C6	C7	C1B	0.1°	90.0°
HC5	C5	C6	N2	179.5°	90.0°
HC5	C5	C6	C7	0.6°	90.0°
C6	N2	C9	C8	0.0°	90.0°
C6	N2	C9	C10	180.0°	90.0°
N2	C6	C7	C8	0.0°	90.0°
N2	C6	C7	C1B	180.0°	90.0°
C7	C6	N2	C9	0.0°	90.0°
C6	C7	C8	C9	0.0°	90.0°
C6	C7	C8	C1B	180.0°	90.0°
C6	C7	C8	C6B	180.0°	90.0°
C6	C7	C1B	C2B	55.7°	90.0°
C6	C7	C1B	H1B1	69.6°	90.0°
C6	C7	C1B	H1B2	179.0°	90.0°
N2	C9	C8	C10	180.0°	90.0°
N2	C9	C8	C7	0.0°	90.0°
N2	C9	C8	C6B	180.0°	90.0°
N2	C9	C10	C11	2.9°	90.0°
N2	C9	C10	H10	177.1°	90.0°
C9	C8	C7	C6B	180.0°	90.0°
C9	C8	C7	C1B	180.0°	90.0°
C9	C8	C6B	H6B1	180.0°	90.0°
C9	C8	C6B	H6B2	54.7°	90.0°
C9	C8	C6B	H6B3	54.8°	90.0°
C8	C9	C10	C11	177.1°	90.0°
C8	C9	C10	H10	2.8°	90.0°
C10	C9	C8	C7	180.0°	90.0°
C10	C9	C8	C6B	0.0°	90.0°
C9	C10	C11	H10	179.9°	90.0°
C9	C10	C11	N3	8.4°	90.0°
C9	C10	C11	C12	171.7°	90.0°
C8	C7	C1B	C2B	124.3°	90.0°
C8	C7	C1B	H1B1	110.4°	90.0°
C8	C7	C1B	H1B2	1.0°	90.0°
C7	C8	C6B	H6B1	0.1°	90.0°
C7	C8	C6B	H6B2	125.2°	90.0°
C7	C8	C6B	H6B3	125.3°	90.0°
C1B	C7	C8	C6B	0.0°	90.0°
C7	C1B	C2B	H1B1	125.3°	90.0°
C7	C1B	C2B	H1B2	125.3°	90.0°
C7	C1B	H1B1	H1B2	117.8°	90.0°
C7	C1B	C2B	C3B	120.1°	90.0°
C7	C1B	C2B	H2B1	114.6°	90.0°
C7	C1B	C2B	H2B2	5.1°	90.0°
C8	C6B	H6B1	H6B2	125.3°	90.0°
C8	C6B	H6B1	H6B3	125.2°	90.0°
C8	C6B	H6B2	H6B3	112.5°	90.0°
C2B	C1B	H1B1	H1B2	117.7°	90.0°
C1B	C2B	C3B	H2B1	125.3°	90.0°
C1B	C2B	C3B	H2B2	125.3°	90.0°
C1B	C2B	H2B1	H2B2	117.2°	90.0°
C1B	C2B	C3B	O4B	23.2°	90.0°
C1B	C2B	C3B	O5B	167.7°	90.0°
H1B1	C1B	C2B	C3B	5.2°	90.0°
H1B1	C1B	C2B	H2B1	120.1°	90.0°
H1B1	C1B	C2B	H2B2	130.4°	90.0°
H1B2	C1B	C2B	C3B	114.6°	90.0°
H1B2	C1B	C2B	H2B1	10.7°	90.0°
H1B2	C1B	C2B	H2B2	120.2°	90.0°
H6B1	C6B	H6B2	H6B3	112.5°	90.0°
C10	C11	N3	C12	179.9°	90.0°
C10	C11	N3	C14	180.0°	90.0°
C10	C11	N3	HN3	0.0°	90.0°
C10	C11	C12	C13	180.0°	90.0°
C10	C11	C12	C6C	0.1°	90.0°
H10	C10	C11	N3	171.5°	90.0°
H10	C10	C11	C12	8.4°	90.0°
C11	N3	C14	HN3	180.0°	90.0°
C11	N3	C14	C13	0.0°	90.0°
C11	N3	C14	C15	180.0°	90.0°
N3	C11	C12	C13	0.1°	90.0°
N3	C11	C12	C6C	180.0°	90.0°
C12	C11	N3	C14	0.1°	90.0°
C12	C11	N3	HN3	179.9°	90.0°
C11	C12	C13	C14	0.0°	90.0°
C11	C12	C13	C6C	179.9°	90.0°
C11	C12	C13	C1C	179.9°	90.0°
C11	C12	C6C	H6C1	180.0°	90.0°
C11	C12	C6C	H6C2	54.7°	90.0°
C11	C12	C6C	H6C3	54.7°	90.0°
N3	C14	C13	C15	180.0°	90.0°
N3	C14	C13	C12	0.0°	90.0°
N3	C14	C13	C1C	180.0°	90.0°
N3	C14	C15	C16	78.7°	90.0°
N3	C14	C15	H15	101.3°	90.0°
HN3	N3	C14	C13	179.9°	90.0°
HN3	N3	C14	C15	0.0°	90.0°
C14	C13	C12	C1C	180.0°	90.0°
C14	C13	C12	C6C	180.0°	90.0°
C14	C13	C1C	C2C	58.5°	90.0°
C14	C13	C1C	H1C1	176.2°	90.0°
C14	C13	C1C	H1C2	66.7°	90.0°
C13	C14	C15	C16	101.4°	90.0°
C13	C14	C15	H15	78.7°	90.0°
C15	C14	C13	C12	180.0°	90.0°
C15	C14	C13	C1C	0.1°	90.0°
C14	C15	C16	H15	180.0°	90.0°
C14	C15	C16	N4	51.6°	90.0°
C14	C15	C16	C17	128.3°	90.0°
C13	C12	C6C	H6C1	0.1°	90.0°
C13	C12	C6C	H6C2	125.4°	90.0°
C13	C12	C6C	H6C3	125.2°	90.0°
C12	C13	C1C	C2C	121.5°	90.0°
C12	C13	C1C	H1C1	3.7°	90.0°
C12	C13	C1C	H1C2	113.2°	90.0°
C6C	C12	C13	C1C	0.0°	90.0°
C12	C6C	H6C1	H6C2	125.3°	90.0°
C12	C6C	H6C1	H6C3	125.3°	90.0°
C12	C6C	H6C2	H6C3	111.5°	90.0°
C13	C1C	C2C	H1C1	125.2°	90.0°
C13	C1C	C2C	H1C2	125.3°	90.0°
C13	C1C	H1C1	H1C2	118.8°	90.0°
C13	C1C	C2C	C3C	136.5°	90.0°
C13	C1C	C2C	H2C1	11.2°	90.0°
C13	C1C	C2C	H2C2	98.2°	90.0°
H6C1	C6C	H6C2	H6C3	111.5°	90.0°
C2C	C1C	H1C1	H1C2	118.8°	90.0°
C1C	C2C	C3C	H2C1	125.3°	90.0°
C1C	C2C	C3C	H2C2	125.3°	90.0°
C1C	C2C	H2C1	H2C2	118.8°	90.0°
C1C	C2C	C3C	O4C	96.8°	90.0°
C1C	C2C	C3C	O5C	63.9°	90.0°
H1C1	C1C	C2C	C3C	98.3°	90.0°
H1C1	C1C	C2C	H2C1	136.3°	90.0°
H1C1	C1C	C2C	H2C2	27.0°	90.0°
H1C2	C1C	C2C	C3C	11.2°	90.0°
H1C2	C1C	C2C	H2C1	114.1°	90.0°
H1C2	C1C	C2C	H2C2	136.5°	90.0°
C15	C16	N4	C17	180.0°	90.0°
C15	C16	N4	C19	180.0°	90.0°
C15	C16	N4	HN4	0.1°	90.0°
C15	C16	C17	C18	179.9°	90.0°
C15	C16	C17	C2D	0.0°	90.0°
H15	C15	C16	N4	128.3°	90.0°
H15	C15	C16	C17	51.7°	90.0°
C16	N4	C19	HN4	180.0°	90.0°
C16	N4	C19	C18	0.0°	90.0°
C16	N4	C19	O20	180.0°	90.0°
N4	C16	C17	C18	0.0°	90.0°
N4	C16	C17	C2D	180.0°	90.0°
C17	C16	N4	C19	0.0°	90.0°
C17	C16	N4	HN4	180.0°	90.0°
C16	C17	C18	C19	0.1°	90.0°
C16	C17	C18	C2D	180.0°	90.0°
C16	C17	C18	C1D	180.0°	90.0°
C16	C17	C2D	C3D	107.3°	90.0°
C16	C17	C2D	H2D1	127.4°	90.0°
C16	C17	C2D	H2D2	18.0°	90.0°
N4	C19	C18	O20	180.0°	90.0°
N4	C19	C18	C17	0.1°	90.0°
N4	C19	C18	C1D	180.0°	90.0°
HN4	N4	C19	C18	180.0°	90.0°
HN4	N4	C19	O20	0.1°	90.0°
C19	C18	C17	C1D	179.9°	90.0°
C19	C18	C17	C2D	180.0°	90.0°
C19	C18	C1D	H1D1	179.9°	90.0°
C19	C18	C1D	H1D2	54.7°	90.0°
C19	C18	C1D	H1D3	54.7°	90.0°
O20	C19	C18	C17	180.0°	90.0°
O20	C19	C18	C1D	0.1°	90.0°
C18	C17	C2D	C3D	72.7°	90.0°
C18	C17	C2D	H2D1	52.6°	90.0°
C18	C17	C2D	H2D2	162.0°	90.0°
C17	C18	C1D	H1D1	0.1°	90.0°
C17	C18	C1D	H1D2	125.4°	90.0°
C17	C18	C1D	H1D3	125.1°	90.0°
C2D	C17	C18	C1D	0.1°	90.0°
C17	C2D	C3D	H2D1	125.3°	90.0°
C17	C2D	C3D	H2D2	125.3°	90.0°
C17	C2D	H2D1	H2D2	111.1°	90.0°
C17	C2D	C3D	H3D1	180.0°	90.0°
C17	C2D	C3D	H3D2	54.7°	90.0°
C17	C2D	C3D	H3D3	54.8°	90.0°
C18	C1D	H1D1	H1D2	125.3°	90.0°
C18	C1D	H1D1	H1D3	125.2°	90.0°
C18	C1D	H1D2	H1D3	114.3°	90.0°
C3D	C2D	H2D1	H2D2	111.2°	90.0°
C2D	C3D	H3D1	H3D2	125.3°	90.0°
C2D	C3D	H3D1	H3D3	125.2°	90.0°
C2D	C3D	H3D2	H3D3	111.1°	90.0°
H2D1	C2D	C3D	H3D1	54.8°	90.0°
H2D1	C2D	C3D	H3D2	70.6°	90.0°
H2D1	C2D	C3D	H3D3	180.0°	90.0°
H2D2	C2D	C3D	H3D1	54.7°	90.0°
H2D2	C2D	C3D	H3D2	180.0°	90.0°
H2D2	C2D	C3D	H3D3	70.5°	90.0°
H1D1	C1D	H1D2	H1D3	114.3°	90.0°
H3A1	C3A	H3A2	H3A3	116.8°	90.0°
C3B	C2B	H2B1	H2B2	117.1°	90.0°
C2B	C3B	O4B	O5B	169.1°	90.0°
C2B	C3B	O4B	H4B	180.0°	90.0°
H2B1	C2B	C3B	O4B	102.1°	90.0°
H2B1	C2B	C3B	O5B	66.9°	90.0°
H2B2	C2B	C3B	O4B	148.5°	90.0°
H2B2	C2B	C3B	O5B	42.5°	90.0°
O5B	C3B	O4B	H4B	10.8°	90.0°
C3C	C2C	H2C1	H2C2	118.8°	90.0°
C2C	C3C	O4C	O5C	161.0°	90.0°
C2C	C3C	O4C	H4C	180.0°	90.0°
H2C1	C2C	C3C	O4C	28.5°	90.0°
H2C1	C2C	C3C	O5C	170.8°	90.0°
H2C2	C2C	C3C	O4C	137.9°	90.0°
H2C2	C2C	C3C	O5C	61.4°	90.0°
O5C	C3C	O4C	H4C	19.0°	90.0°
H3D1	C3D	H3D2	H3D3	111.1°	90.0°

Definition date:	2000-11-20
Last modified:	2011-06-04
Release status:	REL
Processing site:	EBI
Derived from:	1HE3