Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C2 | C3 | sing | 1.53Å | 1.59Å | |
C2 | C1 | sing | 1.53Å | 1.51Å | |
C2 | O2 | sing | 1.43Å | 1.42Å | |
C2 | HC2 | sing | 1.09Å | 1.11Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C3 | HC3 | sing | 1.09Å | 1.11Å | |
C1 | N5 | sing | 1.47Å | 1.50Å | |
C1 | HC11 | sing | 1.09Å | 1.11Å | |
C1 | HC12 | sing | 1.09Å | 1.11Å | |
C4 | C5 | sing | 1.53Å | 1.49Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | HC4 | sing | 1.09Å | 1.12Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C5 | N5 | sing | 1.47Å | 1.50Å | |
C5 | HC5 | sing | 1.09Å | 1.11Å | |
C6 | O6 | sing | 1.43Å | 1.41Å | |
C6 | HC61 | sing | 1.09Å | 1.11Å | |
C6 | HC62 | sing | 1.09Å | 1.12Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
N5 | HN5 | sing | 1.01Å | 1.02Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C3 | C2 | C1 | 112.5° | 109.1° |
C3 | C2 | O2 | 111.7° | 109.6° |
C3 | C2 | HC2 | 106.1° | 109.5° |
C2 | C3 | C4 | 113.3° | 108.9° |
C2 | C3 | O3 | 110.5° | 109.5° |
C2 | C3 | HC3 | 105.7° | 109.6° |
C1 | C2 | O2 | 110.4° | 109.5° |
C1 | C2 | HC2 | 107.5° | 109.5° |
C2 | C1 | N5 | 113.9° | 109.7° |
C2 | C1 | HC11 | 110.6° | 109.4° |
C2 | C1 | HC12 | 110.6° | 109.4° |
O2 | C2 | HC2 | 108.4° | 109.6° |
C2 | O2 | HO2 | 111.7° | 106.8° |
C4 | C3 | O3 | 108.0° | 109.7° |
C4 | C3 | HC3 | 108.2° | 109.6° |
C3 | C4 | C5 | 109.9° | 109.2° |
C3 | C4 | O4 | 110.6° | 109.5° |
C3 | C4 | HC4 | 108.4° | 109.5° |
O3 | C3 | HC3 | 111.2° | 109.5° |
C3 | O3 | HO3 | 110.5° | 106.8° |
N5 | C1 | HC11 | 110.5° | 109.4° |
N5 | C1 | HC12 | 110.5° | 109.5° |
C1 | N5 | C5 | 116.0° | 107.4° |
C1 | N5 | HN5 | 109.9° | 106.7° |
HC11 | C1 | HC12 | 99.7° | 109.4° |
C5 | C4 | O4 | 109.4° | 109.6° |
C5 | C4 | HC4 | 109.6° | 109.5° |
C4 | C5 | C6 | 114.3° | 109.4° |
C4 | C5 | N5 | 111.2° | 109.8° |
C4 | C5 | HC5 | 104.0° | 109.4° |
O4 | C4 | HC4 | 108.9° | 109.5° |
C4 | O4 | HO4 | 110.7° | 106.9° |
C6 | C5 | N5 | 106.4° | 109.5° |
C6 | C5 | HC5 | 108.9° | 109.4° |
C5 | C6 | O6 | 117.9° | 109.5° |
C5 | C6 | HC61 | 109.2° | 109.4° |
C5 | C6 | HC62 | 109.2° | 109.5° |
N5 | C5 | HC5 | 112.2° | 109.4° |
C5 | N5 | HN5 | 109.9° | 106.7° |
O6 | C6 | HC61 | 109.2° | 109.5° |
O6 | C6 | HC62 | 109.2° | 109.5° |
C6 | O6 | HO6 | 117.8° | 106.8° |
HC61 | C6 | HC62 | 100.9° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C3 | C2 | C1 | O2 | 125.4° | 119.9° |
C3 | C2 | C1 | HC2 | 116.5° | 119.9° |
C3 | C2 | O2 | HC2 | 116.5° | 120.2° |
C2 | C3 | C4 | O3 | 122.7° | 119.9° |
C2 | C3 | C4 | HC3 | 116.8° | 119.8° |
C2 | C3 | O3 | HC3 | 117.0° | 120.2° |
C3 | C2 | C1 | N5 | 40.2° | 61.4° |
C3 | C2 | C1 | HC11 | 165.4° | 58.7° |
C3 | C2 | C1 | HC12 | 85.0° | 178.5° |
C2 | C3 | C4 | C5 | 54.7° | 55.6° |
C2 | C3 | C4 | O4 | 175.6° | 175.7° |
C2 | C3 | C4 | HC4 | 65.1° | 64.3° |
C3 | C2 | O2 | HO2 | 180.0° | 179.8° |
C2 | C3 | O3 | HO3 | 179.9° | 59.9° |
C1 | C2 | O2 | HC2 | 117.6° | 120.1° |
C1 | C2 | C3 | C4 | 45.8° | 55.6° |
C1 | C2 | C3 | O3 | 167.2° | 175.6° |
C1 | C2 | C3 | HC3 | 72.5° | 64.2° |
C2 | C1 | N5 | HC11 | 125.3° | 120.1° |
C2 | C1 | N5 | HC12 | 125.3° | 120.0° |
C2 | C1 | HC11 | HC12 | 116.5° | 119.8° |
C2 | C1 | N5 | C5 | 46.3° | 65.7° |
C1 | C2 | O2 | HO2 | 54.1° | 60.1° |
C2 | C1 | N5 | HN5 | 171.6° | 179.8° |
O2 | C2 | C3 | C4 | 78.9° | 64.3° |
O2 | C2 | C3 | O3 | 42.5° | 55.7° |
O2 | C2 | C3 | HC3 | 162.8° | 175.8° |
O2 | C2 | C1 | N5 | 85.2° | 58.6° |
O2 | C2 | C1 | HC11 | 40.0° | 178.7° |
O2 | C2 | C1 | HC12 | 149.5° | 61.5° |
HC2 | C2 | C3 | C4 | 163.1° | 175.5° |
HC2 | C2 | C3 | O3 | 75.5° | 64.5° |
HC2 | C2 | C3 | HC3 | 44.9° | 55.6° |
HC2 | C2 | C1 | N5 | 156.7° | 178.7° |
HC2 | C2 | C1 | HC11 | 78.1° | 61.2° |
HC2 | C2 | C1 | HC12 | 31.4° | 58.6° |
HC2 | C2 | O2 | HO2 | 63.5° | 60.1° |
C4 | C3 | O3 | HC3 | 118.5° | 120.3° |
C3 | C4 | C5 | O4 | 121.7° | 120.0° |
C3 | C4 | C5 | HC4 | 119.0° | 119.9° |
C3 | C4 | O4 | HC4 | 119.0° | 120.0° |
C3 | C4 | C5 | C6 | 178.7° | 178.5° |
C3 | C4 | C5 | N5 | 58.3° | 61.4° |
C3 | C4 | C5 | HC5 | 62.7° | 58.6° |
C4 | C3 | O3 | HO3 | 55.5° | 179.4° |
C3 | C4 | O4 | HO4 | 180.0° | 59.9° |
O3 | C3 | C4 | C5 | 177.4° | 175.5° |
O3 | C3 | C4 | O4 | 61.7° | 64.4° |
O3 | C3 | C4 | HC4 | 57.7° | 55.6° |
HC3 | C3 | C4 | C5 | 62.1° | 64.2° |
HC3 | C3 | C4 | O4 | 58.8° | 55.8° |
HC3 | C3 | C4 | HC4 | 178.1° | 175.9° |
HC3 | C3 | O3 | HO3 | 63.0° | 60.2° |
N5 | C1 | HC11 | HC12 | 116.4° | 119.9° |
C1 | N5 | C5 | C4 | 55.4° | 65.7° |
C1 | N5 | C5 | C6 | 179.6° | 174.2° |
C1 | N5 | C5 | HN5 | 125.3° | 114.1° |
C1 | N5 | C5 | HC5 | 60.6° | 54.3° |
HC11 | C1 | N5 | C5 | 171.5° | 54.4° |
HC11 | C1 | N5 | HN5 | 63.2° | 59.7° |
HC12 | C1 | N5 | C5 | 79.0° | 174.3° |
HC12 | C1 | N5 | HN5 | 46.3° | 60.2° |
C5 | C4 | O4 | HC4 | 119.8° | 120.2° |
C4 | C5 | C6 | N5 | 123.0° | 120.3° |
C4 | C5 | C6 | HC5 | 115.8° | 119.8° |
C4 | C5 | N5 | HC5 | 116.0° | 120.0° |
C4 | C5 | C6 | O6 | 155.7° | 179.8° |
C4 | C5 | C6 | HC61 | 79.0° | 60.2° |
C4 | C5 | C6 | HC62 | 30.5° | 59.8° |
C5 | C4 | O4 | HO4 | 58.8° | 179.7° |
C4 | C5 | N5 | HN5 | 179.3° | 179.7° |
O4 | C4 | C5 | C6 | 59.6° | 58.5° |
O4 | C4 | C5 | N5 | 179.9° | 178.6° |
O4 | C4 | C5 | HC5 | 59.0° | 61.3° |
HC4 | C4 | C5 | C6 | 59.7° | 61.7° |
HC4 | C4 | C5 | N5 | 60.7° | 58.5° |
HC4 | C4 | C5 | HC5 | 178.3° | 178.5° |
HC4 | C4 | O4 | HO4 | 61.0° | 60.1° |
C6 | C5 | N5 | HC5 | 119.1° | 119.8° |
C5 | C6 | O6 | HC61 | 125.3° | 120.0° |
C5 | C6 | O6 | HC62 | 125.3° | 120.0° |
C5 | C6 | HC61 | HC62 | 115.0° | 120.0° |
C6 | C5 | N5 | HN5 | 54.3° | 60.1° |
C5 | C6 | O6 | HO6 | 179.9° | 180.0° |
N5 | C5 | C6 | O6 | 32.7° | 59.8° |
N5 | C5 | C6 | HC61 | 158.0° | 60.1° |
N5 | C5 | C6 | HC62 | 92.6° | 179.9° |
HC5 | C5 | C6 | O6 | 88.5° | 60.0° |
HC5 | C5 | C6 | HC61 | 36.8° | 180.0° |
HC5 | C5 | C6 | HC62 | 146.3° | 60.0° |
HC5 | C5 | N5 | HN5 | 64.7° | 59.7° |
O6 | C6 | HC61 | HC62 | 114.9° | 120.0° |
HC61 | C6 | O6 | HO6 | 54.7° | 60.0° |
HC62 | C6 | O6 | HO6 | 54.7° | 60.0° |