FUY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | N1 | sing | 1.46Å | 1.46Å | |
C1 | C2 | sing | 1.53Å | 1.53Å | |
C1 | O5 | sing | 1.43Å | 1.43Å | |
N1 | N2 | doub | 1.12Å | 1.25Å | |
C2 | O2 | sing | 1.43Å | 1.43Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
N2 | N3 | doub | 1.13Å | 1.25Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | C5 | sing | 1.53Å | 1.54Å | |
C5 | O5 | sing | 1.43Å | 1.44Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
N3 | HN3 | sing | 0.97Å | 1.00Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
C6 | H63 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N1 | C1 | C2 | 110.4° | 109.5° |
N1 | C1 | O5 | 112.6° | 109.5° |
C1 | N1 | N2 | 119.1° | 120.0° |
N1 | C1 | H1 | 105.6° | 109.5° |
C2 | C1 | O5 | 105.7° | 109.4° |
C1 | C2 | O2 | 114.1° | 109.5° |
C1 | C2 | C3 | 105.1° | 109.2° |
C2 | C1 | H1 | 112.4° | 109.5° |
C1 | C2 | H2 | 110.1° | 109.5° |
C1 | O5 | C5 | 111.9° | 114.1° |
O5 | C1 | H1 | 110.2° | 109.5° |
N1 | N2 | N3 | 176.7° | 179.9° |
O2 | C2 | C3 | 111.5° | 109.5° |
O2 | C2 | H2 | 103.5° | 109.5° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C2 | C3 | O3 | 110.5° | 109.6° |
C2 | C3 | C4 | 108.4° | 109.0° |
C3 | C2 | H2 | 112.7° | 109.6° |
C2 | C3 | H3 | 110.3° | 109.5° |
N2 | N3 | HN3 | 171.3° | 120.0° |
O3 | C3 | C4 | 111.7° | 109.6° |
O3 | C3 | H3 | 106.8° | 109.6° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C3 | C4 | O4 | 109.3° | 109.5° |
C3 | C4 | C5 | 113.5° | 109.2° |
C4 | C3 | H3 | 109.0° | 109.6° |
C3 | C4 | H4 | 106.6° | 109.5° |
O4 | C4 | C5 | 108.7° | 109.5° |
O4 | C4 | H4 | 111.6° | 109.6° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C4 | C5 | O5 | 112.9° | 109.4° |
C4 | C5 | C6 | 110.3° | 109.5° |
C5 | C4 | H4 | 107.2° | 109.6° |
C4 | C5 | H5 | 106.5° | 109.5° |
O5 | C5 | C6 | 109.3° | 109.5° |
O5 | C5 | H5 | 107.5° | 109.5° |
C6 | C5 | H5 | 110.3° | 109.5° |
C5 | C6 | H61 | 109.5° | 109.5° |
C5 | C6 | H62 | 109.5° | 109.5° |
C5 | C6 | H63 | 109.5° | 109.4° |
H61 | C6 | H62 | 109.5° | 109.5° |
H61 | C6 | H63 | 109.5° | 109.5° |
H62 | C6 | H63 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N1 | C1 | C2 | O5 | 122.0° | 120.0° |
N1 | C1 | C2 | H1 | 117.6° | 120.0° |
N1 | C1 | O5 | H1 | 117.6° | 120.0° |
N1 | C1 | C2 | O2 | 41.9° | 62.5° |
N1 | C1 | C2 | C3 | 164.4° | 177.6° |
C1 | N1 | N2 | N3 | 4.2° | 67.8° |
N1 | C1 | O5 | C5 | 170.4° | 178.8° |
N1 | C1 | C2 | H2 | 73.9° | 57.6° |
C2 | C1 | O5 | H1 | 121.8° | 120.0° |
C2 | C1 | N1 | N2 | 119.0° | 120.0° |
C1 | C2 | O2 | C3 | 118.9° | 119.7° |
C1 | C2 | O2 | H2 | 119.6° | 120.1° |
C1 | C2 | C3 | H2 | 119.9° | 119.9° |
C1 | C2 | C3 | O3 | 175.1° | 176.9° |
C1 | C2 | C3 | C4 | 62.1° | 57.0° |
C2 | C1 | O5 | C5 | 69.0° | 61.1° |
C1 | C2 | O2 | HO2 | 179.7° | 60.0° |
C1 | C2 | C3 | H3 | 57.2° | 62.9° |
O5 | C1 | N1 | N2 | 123.1° | 120.0° |
O5 | C1 | C2 | O2 | 163.9° | 177.5° |
O5 | C1 | C2 | C3 | 73.6° | 57.6° |
C1 | O5 | C5 | C4 | 52.4° | 61.1° |
C1 | O5 | C5 | C6 | 175.5° | 178.9° |
O5 | C1 | C2 | H2 | 48.1° | 62.4° |
C1 | O5 | C5 | H5 | 64.8° | 58.9° |
N2 | N1 | C1 | H1 | 2.7° | 0.0° |
N1 | N2 | N3 | HN3 | 180.0° | 22.2° |
O2 | C2 | C3 | H2 | 115.9° | 120.2° |
O2 | C2 | C3 | O3 | 50.9° | 63.3° |
O2 | C2 | C3 | C4 | 173.7° | 176.9° |
O2 | C2 | C1 | H1 | 75.7° | 57.5° |
O2 | C2 | C3 | H3 | 67.0° | 57.0° |
C2 | C3 | O3 | C4 | 120.8° | 119.5° |
C2 | C3 | O3 | H3 | 120.0° | 120.2° |
C2 | C3 | C4 | H3 | 120.1° | 119.8° |
C2 | C3 | C4 | O4 | 74.4° | 62.9° |
C2 | C3 | C4 | C5 | 47.1° | 57.0° |
C3 | C2 | C1 | H1 | 46.8° | 62.4° |
C3 | C2 | O2 | HO2 | 60.7° | 179.7° |
C2 | C3 | O3 | HO3 | 138.0° | 60.0° |
C2 | C3 | C4 | H4 | 164.9° | 176.9° |
O3 | C3 | C4 | H3 | 117.9° | 120.3° |
O3 | C3 | C4 | O4 | 47.7° | 56.9° |
O3 | C3 | C4 | C5 | 169.2° | 176.9° |
O3 | C3 | C2 | H2 | 65.0° | 56.9° |
O3 | C3 | C4 | H4 | 73.0° | 63.2° |
C3 | C4 | O4 | C5 | 124.4° | 119.7° |
C3 | C4 | O4 | H4 | 117.6° | 120.1° |
C3 | C4 | C5 | H4 | 117.4° | 119.9° |
C3 | C4 | C5 | O5 | 41.0° | 57.6° |
C3 | C4 | C5 | C6 | 163.6° | 177.6° |
C4 | C3 | C2 | H2 | 57.8° | 63.0° |
C4 | C3 | O3 | HO3 | 17.2° | 179.5° |
C3 | C4 | O4 | HO4 | 46.5° | 180.0° |
C3 | C4 | C5 | H5 | 76.7° | 62.4° |
O4 | C4 | C5 | H4 | 120.7° | 120.2° |
O4 | C4 | C5 | O5 | 80.8° | 62.3° |
O4 | C4 | C5 | C6 | 41.8° | 57.7° |
O4 | C4 | C3 | H3 | 165.5° | 177.2° |
O4 | C4 | C5 | H5 | 161.4° | 177.8° |
C4 | C5 | O5 | C6 | 123.1° | 120.0° |
C4 | C5 | O5 | H5 | 117.2° | 120.0° |
C4 | C5 | C6 | H5 | 117.3° | 120.0° |
C5 | C4 | C3 | H3 | 73.0° | 62.8° |
C5 | C4 | O4 | HO4 | 77.8° | 60.3° |
C4 | C5 | C6 | H61 | 111.4° | 60.0° |
C4 | C5 | C6 | H62 | 8.6° | 180.0° |
C4 | C5 | C6 | H63 | 128.6° | 60.0° |
O5 | C5 | C6 | H5 | 118.0° | 120.0° |
C5 | O5 | C1 | H1 | 52.8° | 58.8° |
O5 | C5 | C4 | H4 | 158.5° | 177.5° |
O5 | C5 | C6 | H61 | 13.2° | 179.9° |
O5 | C5 | C6 | H62 | 133.3° | 60.0° |
O5 | C5 | C6 | H63 | 106.8° | 59.9° |
C6 | C5 | C4 | H4 | 78.9° | 62.5° |
C5 | C6 | H61 | H62 | 120.0° | 120.0° |
C5 | C6 | H61 | H63 | 120.0° | 120.0° |
C5 | C6 | H62 | H63 | 120.0° | 120.0° |
H1 | C1 | C2 | H2 | 168.5° | 177.6° |
H2 | C2 | O2 | HO2 | 60.7° | 60.1° |
H2 | C2 | C3 | H3 | 177.1° | 177.1° |
H3 | C3 | O3 | HO3 | 102.0° | 60.2° |
H3 | C3 | C4 | H4 | 44.8° | 57.1° |
H4 | C4 | O4 | HO4 | 164.2° | 59.9° |
H4 | C4 | C5 | H5 | 40.7° | 57.6° |
H5 | C5 | C6 | H61 | 131.3° | 60.1° |
H5 | C5 | C6 | H62 | 108.7° | 60.0° |
H5 | C5 | C6 | H63 | 11.3° | 179.9° |
H61 | C6 | H62 | H63 | 120.0° | 120.0° |