Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C5 | O | sing | 1.43Å | 1.43Å | |
C5 | C4 | sing | 1.53Å | 1.55Å | |
C5 | C6 | sing | 1.53Å | 1.55Å | |
C5 | H5 | sing | 1.09Å | 1.11Å | |
O | C1 | sing | 1.43Å | 1.40Å | |
C1 | O1 | sing | 1.43Å | 1.42Å | |
C1 | C2 | sing | 1.53Å | 1.56Å | |
C1 | H1 | sing | 1.09Å | 1.09Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C2 | O2 | sing | 1.43Å | 1.41Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
O2 | HO2 | sing | 0.97Å | 0.98Å | |
C3 | N3 | sing | 1.47Å | 1.55Å | |
C3 | C4 | sing | 1.53Å | 1.52Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
N3 | H31 | sing | 1.01Å | 1.01Å | |
N3 | H32 | sing | 1.01Å | 1.02Å | |
N3 | H33 | sing | 1.01Å | 1.01Å | |
C4 | O4 | sing | 1.43Å | 1.42Å | |
C4 | H4 | sing | 1.09Å | 1.11Å | |
O4 | HO4 | sing | 0.97Å | 0.98Å | |
C6 | O6 | sing | 1.43Å | 1.43Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.11Å | |
O6 | H6 | sing | 0.97Å | 0.98Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C5 | C4 | 107.8° | 109.9° |
O | C5 | C6 | 108.9° | 109.4° |
O | C5 | H5 | 109.6° | 109.5° |
C5 | O | C1 | 118.5° | 107.6° |
C4 | C5 | C6 | 113.5° | 109.3° |
C4 | C5 | H5 | 109.6° | 109.3° |
C5 | C4 | C3 | 108.6° | 109.0° |
C5 | C4 | O4 | 116.1° | 109.6° |
C5 | C4 | H4 | 106.3° | 109.6° |
C6 | C5 | H5 | 107.4° | 109.4° |
C5 | C6 | O6 | 109.3° | 109.5° |
C5 | C6 | H61 | 110.3° | 109.4° |
C5 | C6 | H62 | 109.4° | 109.5° |
O | C1 | O1 | 110.0° | 109.4° |
O | C1 | C2 | 113.1° | 109.8° |
O | C1 | H1 | 104.9° | 109.4° |
O1 | C1 | C2 | 110.6° | 109.4° |
O1 | C1 | H1 | 110.6° | 109.5° |
C1 | O1 | HO1 | 110.0° | 106.8° |
C2 | C1 | H1 | 107.6° | 109.4° |
C1 | C2 | O2 | 113.6° | 109.6° |
C1 | C2 | C3 | 112.4° | 109.0° |
C1 | C2 | H2 | 106.7° | 109.6° |
O2 | C2 | C3 | 107.2° | 109.6° |
O2 | C2 | H2 | 109.5° | 109.5° |
C2 | O2 | HO2 | 106.9° | 106.8° |
C3 | C2 | H2 | 107.2° | 109.5° |
C2 | C3 | N3 | 109.5° | 109.6° |
C2 | C3 | C4 | 110.3° | 108.8° |
C2 | C3 | H3 | 112.2° | 109.6° |
N3 | C3 | C4 | 103.5° | 109.6° |
N3 | C3 | H3 | 107.8° | 109.6° |
C3 | N3 | H31 | 109.9° | 109.5° |
C3 | N3 | H32 | 111.7° | 109.4° |
C3 | N3 | H33 | 115.3° | 109.5° |
C4 | C3 | H3 | 113.2° | 109.6° |
C3 | C4 | O4 | 110.8° | 109.8° |
C3 | C4 | H4 | 107.5° | 109.4° |
H31 | N3 | H32 | 105.9° | 109.5° |
H31 | N3 | H33 | 105.5° | 109.5° |
H32 | N3 | H33 | 107.8° | 109.5° |
O4 | C4 | H4 | 107.2° | 109.5° |
C4 | O4 | HO4 | 105.1° | 106.8° |
O6 | C6 | H61 | 109.9° | 109.5° |
O6 | C6 | H62 | 110.4° | 109.5° |
C6 | O6 | H6 | 108.8° | 106.8° |
H61 | C6 | H62 | 107.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C5 | C4 | C6 | 120.8° | 120.1° |
O | C5 | C4 | H5 | 119.2° | 120.2° |
O | C5 | C6 | H5 | 118.6° | 119.9° |
C5 | O | C1 | O1 | 75.3° | 52.4° |
C5 | O | C1 | C2 | 48.8° | 67.6° |
C5 | O | C1 | H1 | 165.8° | 172.3° |
O | C5 | C4 | C3 | 61.0° | 61.1° |
O | C5 | C4 | O4 | 173.5° | 178.8° |
O | C5 | C4 | H4 | 54.5° | 58.6° |
O | C5 | C6 | O6 | 174.8° | 65.0° |
O | C5 | C6 | H61 | 53.8° | 175.0° |
O | C5 | C6 | H62 | 64.2° | 55.0° |
C4 | C5 | C6 | H5 | 121.2° | 119.7° |
C4 | C5 | O | C1 | 58.1° | 67.6° |
C5 | C4 | C3 | C2 | 58.8° | 53.5° |
C5 | C4 | C3 | N3 | 175.8° | 173.3° |
C5 | C4 | C3 | O4 | 128.6° | 120.0° |
C5 | C4 | C3 | H4 | 114.6° | 119.7° |
C5 | C4 | C3 | H3 | 67.8° | 66.3° |
C5 | C4 | O4 | H4 | 118.5° | 120.2° |
C5 | C4 | O4 | HO4 | 23.8° | 60.0° |
C4 | C5 | C6 | O6 | 65.0° | 174.6° |
C4 | C5 | C6 | H61 | 174.0° | 54.5° |
C4 | C5 | C6 | H62 | 55.9° | 65.4° |
C6 | C5 | O | C1 | 178.3° | 172.3° |
C6 | C5 | C4 | C3 | 178.3° | 178.9° |
C6 | C5 | C4 | O4 | 52.7° | 58.7° |
C6 | C5 | C4 | H4 | 66.3° | 61.5° |
C5 | C6 | O6 | H61 | 121.3° | 120.0° |
C5 | C6 | O6 | H62 | 120.4° | 120.0° |
C5 | C6 | H61 | H62 | 119.2° | 120.0° |
C5 | C6 | O6 | H6 | 151.1° | 180.0° |
H5 | C5 | O | C1 | 61.1° | 52.5° |
H5 | C5 | C4 | C3 | 58.2° | 59.1° |
H5 | C5 | C4 | O4 | 67.3° | 61.1° |
H5 | C5 | C4 | H4 | 173.6° | 178.7° |
H5 | C5 | C6 | O6 | 56.2° | 54.9° |
H5 | C5 | C6 | H61 | 64.8° | 65.1° |
H5 | C5 | C6 | H62 | 177.2° | 174.9° |
O | C1 | O1 | C2 | 125.6° | 120.3° |
O | C1 | O1 | H1 | 115.3° | 119.9° |
O | C1 | C2 | H1 | 115.3° | 120.0° |
O | C1 | O1 | HO1 | 180.0° | 59.7° |
O | C1 | C2 | O2 | 164.2° | 178.8° |
O | C1 | C2 | C3 | 42.2° | 61.3° |
O | C1 | C2 | H2 | 75.1° | 58.6° |
O1 | C1 | C2 | H1 | 120.8° | 119.9° |
O1 | C1 | C2 | O2 | 40.4° | 61.1° |
O1 | C1 | C2 | C3 | 81.6° | 58.8° |
O1 | C1 | C2 | H2 | 161.1° | 178.6° |
C2 | C1 | O1 | HO1 | 54.4° | 180.0° |
C1 | C2 | O2 | C3 | 124.8° | 119.6° |
C1 | C2 | O2 | H2 | 119.2° | 120.2° |
C1 | C2 | C3 | H2 | 117.0° | 119.9° |
C1 | C2 | O2 | HO2 | 72.6° | 60.4° |
C1 | C2 | C3 | N3 | 162.3° | 173.5° |
C1 | C2 | C3 | C4 | 49.1° | 53.6° |
C1 | C2 | C3 | H3 | 78.1° | 66.2° |
H1 | C1 | O1 | HO1 | 64.7° | 60.2° |
H1 | C1 | C2 | O2 | 80.5° | 58.8° |
H1 | C1 | C2 | C3 | 157.5° | 178.7° |
H1 | C1 | C2 | H2 | 40.3° | 61.4° |
O2 | C2 | C3 | H2 | 117.5° | 120.2° |
O2 | C2 | C3 | N3 | 72.2° | 66.6° |
O2 | C2 | C3 | C4 | 174.6° | 173.6° |
O2 | C2 | C3 | H3 | 47.4° | 53.8° |
C3 | C2 | O2 | HO2 | 162.6° | 180.0° |
C2 | C3 | N3 | C4 | 117.6° | 119.4° |
C2 | C3 | N3 | H3 | 122.2° | 120.3° |
C2 | C3 | C4 | H3 | 126.6° | 119.8° |
C2 | C3 | N3 | H31 | 48.6° | 59.7° |
C2 | C3 | N3 | H32 | 165.8° | 60.3° |
C2 | C3 | N3 | H33 | 70.6° | 179.7° |
C2 | C3 | C4 | O4 | 172.6° | 173.5° |
C2 | C3 | C4 | H4 | 55.9° | 66.3° |
H2 | C2 | O2 | HO2 | 46.6° | 59.8° |
H2 | C2 | C3 | N3 | 45.3° | 53.6° |
H2 | C2 | C3 | C4 | 67.9° | 66.2° |
H2 | C2 | C3 | H3 | 164.9° | 173.9° |
N3 | C3 | C4 | H3 | 116.4° | 120.3° |
C3 | N3 | H31 | H32 | 120.8° | 119.9° |
C3 | N3 | H31 | H33 | 125.0° | 120.1° |
C3 | N3 | H32 | H33 | 127.7° | 120.0° |
N3 | C3 | C4 | O4 | 55.6° | 66.6° |
N3 | C3 | C4 | H4 | 61.2° | 53.6° |
C4 | C3 | N3 | H31 | 69.0° | 59.7° |
C4 | C3 | N3 | H32 | 48.2° | 179.7° |
C4 | C3 | N3 | H33 | 171.8° | 60.3° |
C3 | C4 | O4 | H4 | 117.0° | 120.1° |
C3 | C4 | O4 | HO4 | 148.3° | 179.7° |
H3 | C3 | N3 | H31 | 170.8° | 180.0° |
H3 | C3 | N3 | H32 | 71.9° | 60.0° |
H3 | C3 | N3 | H33 | 51.7° | 60.0° |
H3 | C3 | C4 | O4 | 60.8° | 53.7° |
H3 | C3 | C4 | H4 | 177.5° | 173.9° |
H31 | N3 | H32 | H33 | 112.6° | 120.0° |
H4 | C4 | O4 | HO4 | 94.7° | 60.2° |
O6 | C6 | H61 | H62 | 120.2° | 120.0° |
H61 | C6 | O6 | H6 | 87.6° | 60.0° |
H62 | C6 | O6 | H6 | 30.7° | 60.0° |