Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | sing | 1.43Å | 1.43Å | |
C1 | C2 | sing | 1.53Å | 1.55Å | |
C1 | C5 | sing | 1.53Å | 1.55Å | |
C1 | H1 | sing | 1.09Å | 1.11Å | |
O1 | HO1 | sing | 0.97Å | 0.96Å | |
C2 | O2 | sing | 1.43Å | 1.43Å | |
C2 | C3 | sing | 1.53Å | 1.56Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.96Å | |
C3 | N3 | sing | 1.47Å | 1.48Å | |
C3 | C4 | sing | 1.53Å | 1.55Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
N3 | HN31 | sing | 1.01Å | 1.03Å | |
N3 | HN32 | sing | 1.01Å | 1.03Å | |
C4 | O4 | sing | 1.43Å | 1.45Å | |
C4 | O5 | sing | 1.43Å | 1.47Å | |
C4 | H4 | sing | 1.09Å | 1.09Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | O5 | sing | 1.43Å | 1.45Å | |
C5 | C6 | sing | 1.53Å | 1.54Å | |
C5 | H5 | sing | 1.09Å | 1.11Å | |
C6 | N6 | sing | 1.47Å | 1.48Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.11Å | |
N6 | HN61 | sing | 1.01Å | 1.03Å | |
N6 | HN62 | sing | 1.01Å | 1.03Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 109.4° | 109.6° |
O1 | C1 | C5 | 110.3° | 109.7° |
O1 | C1 | H1 | 108.1° | 109.5° |
C1 | O1 | HO1 | 106.0° | 106.8° |
C2 | C1 | C5 | 109.7° | 109.0° |
C2 | C1 | H1 | 109.5° | 109.6° |
C1 | C2 | O2 | 108.5° | 109.8° |
C1 | C2 | C3 | 115.4° | 108.6° |
C1 | C2 | H2 | 107.5° | 109.6° |
C5 | C1 | H1 | 109.9° | 109.5° |
C1 | C5 | O5 | 107.7° | 109.8° |
C1 | C5 | C6 | 113.9° | 109.4° |
C1 | C5 | H5 | 107.9° | 109.4° |
O2 | C2 | C3 | 108.8° | 109.6° |
O2 | C2 | H2 | 107.0° | 109.6° |
C2 | O2 | HO2 | 106.0° | 106.8° |
C3 | C2 | H2 | 109.3° | 109.6° |
C2 | C3 | N3 | 110.3° | 109.6° |
C2 | C3 | C4 | 111.9° | 109.0° |
C2 | C3 | H3 | 107.7° | 109.5° |
N3 | C3 | C4 | 112.8° | 109.5° |
N3 | C3 | H3 | 108.3° | 109.6° |
C3 | N3 | HN31 | 110.1° | 106.7° |
C3 | N3 | HN32 | 110.0° | 106.7° |
C4 | C3 | H3 | 105.5° | 109.5° |
C3 | C4 | O4 | 114.0° | 109.4° |
C3 | C4 | O5 | 110.4° | 109.8° |
C3 | C4 | H4 | 106.6° | 109.4° |
HN31 | N3 | HN32 | 105.6° | 106.6° |
O4 | C4 | O5 | 111.1° | 109.5° |
O4 | C4 | H4 | 104.3° | 109.4° |
C4 | O4 | HO4 | 114.0° | 106.8° |
O5 | C4 | H4 | 110.1° | 109.4° |
C4 | O5 | C5 | 115.3° | 107.6° |
O5 | C5 | C6 | 111.0° | 109.4° |
O5 | C5 | H5 | 109.2° | 109.4° |
C6 | C5 | H5 | 107.1° | 109.4° |
C5 | C6 | N6 | 112.7° | 109.5° |
C5 | C6 | H61 | 109.5° | 109.5° |
C5 | C6 | H62 | 110.2° | 109.4° |
N6 | C6 | H61 | 109.3° | 109.5° |
N6 | C6 | H62 | 108.8° | 109.4° |
C6 | N6 | HN61 | 110.0° | 106.8° |
C6 | N6 | HN62 | 110.0° | 106.7° |
H61 | C6 | H62 | 106.1° | 109.5° |
HN61 | N6 | HN62 | 105.6° | 106.6° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | C5 | 121.1° | 120.1° |
O1 | C1 | C2 | H1 | 118.2° | 120.1° |
O1 | C1 | C5 | H1 | 119.0° | 120.2° |
O1 | C1 | C2 | O2 | 164.0° | 173.9° |
O1 | C1 | C2 | C3 | 73.7° | 66.2° |
O1 | C1 | C2 | H2 | 48.6° | 53.4° |
O1 | C1 | C5 | O5 | 63.9° | 58.6° |
O1 | C1 | C5 | C6 | 59.6° | 61.5° |
O1 | C1 | C5 | H5 | 178.3° | 178.7° |
C2 | C1 | C5 | H1 | 120.4° | 119.9° |
C2 | C1 | O1 | HO1 | 60.3° | 60.0° |
C1 | C2 | O2 | C3 | 126.2° | 119.2° |
C1 | C2 | O2 | H2 | 115.7° | 120.5° |
C1 | C2 | C3 | H2 | 121.3° | 119.7° |
C1 | C2 | O2 | HO2 | 56.6° | 179.2° |
C1 | C2 | C3 | N3 | 84.9° | 66.1° |
C1 | C2 | C3 | C4 | 41.5° | 53.7° |
C1 | C2 | C3 | H3 | 157.1° | 173.6° |
C2 | C1 | C5 | O5 | 56.7° | 61.3° |
C2 | C1 | C5 | C6 | 179.8° | 178.5° |
C2 | C1 | C5 | H5 | 61.1° | 58.7° |
C5 | C1 | O1 | HO1 | 60.5° | 179.7° |
C5 | C1 | C2 | O2 | 74.9° | 66.0° |
C5 | C1 | C2 | C3 | 47.4° | 53.8° |
C5 | C1 | C2 | H2 | 169.7° | 173.5° |
C1 | C5 | O5 | C4 | 66.8° | 67.6° |
C1 | C5 | O5 | C6 | 125.2° | 120.1° |
C1 | C5 | O5 | H5 | 116.9° | 120.0° |
C1 | C5 | C6 | H5 | 119.2° | 119.8° |
C1 | C5 | C6 | N6 | 177.8° | 179.9° |
C1 | C5 | C6 | H61 | 60.2° | 59.8° |
C1 | C5 | C6 | H62 | 56.1° | 60.2° |
H1 | C1 | O1 | HO1 | 179.4° | 60.2° |
H1 | C1 | C2 | O2 | 45.8° | 53.8° |
H1 | C1 | C2 | C3 | 168.1° | 173.6° |
H1 | C1 | C2 | H2 | 69.7° | 66.7° |
H1 | C1 | C5 | O5 | 177.1° | 178.8° |
H1 | C1 | C5 | C6 | 59.4° | 58.7° |
H1 | C1 | C5 | H5 | 59.3° | 61.1° |
O2 | C2 | C3 | H2 | 116.6° | 120.3° |
O2 | C2 | C3 | N3 | 152.9° | 173.9° |
O2 | C2 | C3 | C4 | 80.7° | 66.2° |
O2 | C2 | C3 | H3 | 34.9° | 53.6° |
C3 | C2 | O2 | HO2 | 177.1° | 60.0° |
C2 | C3 | N3 | C4 | 125.9° | 119.6° |
C2 | C3 | N3 | H3 | 117.7° | 120.2° |
C2 | C3 | C4 | H3 | 116.9° | 119.9° |
C2 | C3 | N3 | HN31 | 175.3° | 179.6° |
C2 | C3 | N3 | HN32 | 59.3° | 66.7° |
C2 | C3 | C4 | O4 | 170.6° | 178.6° |
C2 | C3 | C4 | O5 | 44.8° | 61.2° |
C2 | C3 | C4 | H4 | 74.9° | 58.9° |
H2 | C2 | O2 | HO2 | 59.1° | 60.3° |
H2 | C2 | C3 | N3 | 36.4° | 53.6° |
H2 | C2 | C3 | C4 | 162.8° | 173.5° |
H2 | C2 | C3 | H3 | 81.7° | 66.7° |
N3 | C3 | C4 | H3 | 118.0° | 120.2° |
C3 | N3 | HN31 | HN32 | 118.7° | 113.7° |
N3 | C3 | C4 | O4 | 45.5° | 61.4° |
N3 | C3 | C4 | O5 | 80.3° | 58.7° |
N3 | C3 | C4 | H4 | 160.1° | 178.8° |
C4 | C3 | N3 | HN31 | 58.8° | 60.0° |
C4 | C3 | N3 | HN32 | 174.8° | 173.7° |
C3 | C4 | O4 | O5 | 125.5° | 120.3° |
C3 | C4 | O4 | H4 | 115.9° | 119.8° |
C3 | C4 | O5 | H4 | 117.4° | 120.1° |
C3 | C4 | O4 | HO4 | 180.0° | 179.7° |
C3 | C4 | O5 | C5 | 60.7° | 67.6° |
H3 | C3 | N3 | HN31 | 57.6° | 60.2° |
H3 | C3 | N3 | HN32 | 58.3° | 53.5° |
H3 | C3 | C4 | O4 | 72.5° | 58.8° |
H3 | C3 | C4 | O5 | 161.6° | 178.9° |
H3 | C3 | C4 | H4 | 42.0° | 61.0° |
O4 | C4 | O5 | H4 | 115.0° | 119.9° |
O4 | C4 | O5 | C5 | 171.7° | 172.4° |
O5 | C4 | O4 | HO4 | 54.4° | 60.0° |
C4 | O5 | C5 | C6 | 168.0° | 172.3° |
C4 | O5 | C5 | H5 | 50.1° | 52.4° |
H4 | C4 | O4 | HO4 | 64.2° | 59.9° |
H4 | C4 | O5 | C5 | 56.7° | 52.5° |
O5 | C5 | C6 | H5 | 119.2° | 119.9° |
O5 | C5 | C6 | N6 | 60.5° | 59.8° |
O5 | C5 | C6 | H61 | 61.5° | 179.9° |
O5 | C5 | C6 | H62 | 177.8° | 60.1° |
C5 | C6 | N6 | H61 | 122.1° | 120.1° |
C5 | C6 | N6 | H62 | 122.5° | 119.9° |
C5 | C6 | H61 | H62 | 118.9° | 120.0° |
C5 | C6 | N6 | HN61 | 62.1° | 179.9° |
C5 | C6 | N6 | HN62 | 178.1° | 66.3° |
H5 | C5 | C6 | N6 | 58.6° | 60.1° |
H5 | C5 | C6 | H61 | 179.4° | 60.0° |
H5 | C5 | C6 | H62 | 63.0° | 180.0° |
N6 | C6 | H61 | H62 | 117.1° | 119.9° |
C6 | N6 | HN61 | HN62 | 118.7° | 113.7° |
H61 | C6 | N6 | HN61 | 175.8° | 59.8° |
H61 | C6 | N6 | HN62 | 59.8° | 53.8° |
H62 | C6 | N6 | HN61 | 60.4° | 60.1° |
H62 | C6 | N6 | HN62 | 55.6° | 173.8° |