GIF
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C | N | sing | 1.47Å | 1.46Å | |
C | C1 | sing | 1.53Å | 1.53Å | |
N | C4 | sing | 1.47Å | 1.47Å | |
O | C5 | sing | 1.43Å | 1.45Å | |
C1 | C2 | sing | 1.53Å | 1.55Å | |
C1 | O2 | sing | 1.43Å | 1.43Å | |
O1 | C2 | sing | 1.43Å | 1.45Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C3 | C5 | sing | 1.53Å | 1.54Å | |
C | H | sing | 1.09Å | 1.10Å | |
C | HA | sing | 1.09Å | 1.10Å | |
N | HN | sing | 1.01Å | 1.00Å | |
O | HO | sing | 0.97Å | 0.95Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | H4A | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C5 | H5A | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N | C | C1 | 109.6° | 109.6° |
C | N | C4 | 118.6° | 111.2° |
N | C | H | 109.5° | 109.4° |
N | C | HA | 109.5° | 109.5° |
C | N | HN | 107.2° | 111.0° |
C | C1 | C2 | 112.0° | 109.2° |
C | C1 | O2 | 109.5° | 109.5° |
C1 | C | H | 109.5° | 109.5° |
C1 | C | HA | 109.4° | 109.4° |
C | C1 | H1 | 107.7° | 109.5° |
N | C4 | C3 | 111.1° | 109.5° |
C4 | N | HN | 107.1° | 111.0° |
N | C4 | H4 | 109.0° | 109.5° |
N | C4 | H4A | 109.1° | 109.5° |
O | C5 | C3 | 113.3° | 109.5° |
C5 | O | HO | 109.5° | 114.0° |
O | C5 | H5 | 108.5° | 109.4° |
O | C5 | H5A | 108.5° | 109.5° |
C2 | C1 | O2 | 111.1° | 109.6° |
C1 | C2 | O1 | 111.3° | 109.5° |
C1 | C2 | C3 | 109.9° | 109.2° |
C2 | C1 | H1 | 107.5° | 109.5° |
C1 | C2 | H2 | 107.6° | 109.5° |
O2 | C1 | H1 | 108.9° | 109.5° |
C1 | O2 | HO2 | 109.5° | 114.0° |
O1 | C2 | C3 | 110.9° | 109.5° |
C2 | O1 | HO1 | 109.5° | 114.0° |
O1 | C2 | H2 | 108.9° | 109.5° |
C2 | C3 | C4 | 107.8° | 109.3° |
C2 | C3 | C5 | 112.2° | 109.5° |
C3 | C2 | H2 | 108.0° | 109.6° |
C2 | C3 | H3 | 108.2° | 109.5° |
C4 | C3 | C5 | 112.4° | 109.5° |
C4 | C3 | H3 | 108.1° | 109.5° |
C3 | C4 | H4 | 109.0° | 109.4° |
C3 | C4 | H4A | 109.0° | 109.4° |
C5 | C3 | H3 | 108.0° | 109.5° |
C3 | C5 | H5 | 108.5° | 109.5° |
C3 | C5 | H5A | 108.5° | 109.5° |
H | C | HA | 109.4° | 109.4° |
H4 | C4 | H4A | 109.5° | 109.4° |
H5 | C5 | H5A | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N | C | C1 | H | 120.0° | 120.0° |
N | C | C1 | HA | 120.0° | 120.1° |
C | N | C4 | HN | 121.3° | 124.1° |
N | C | C1 | C2 | 49.1° | 59.2° |
N | C | C1 | O2 | 172.8° | 179.2° |
C | N | C4 | C3 | 53.2° | 61.7° |
N | C | H | HA | 119.9° | 120.0° |
N | C | C1 | H1 | 68.9° | 60.7° |
C | N | C4 | H4 | 67.0° | 58.2° |
C | N | C4 | H4A | 173.5° | 178.2° |
C1 | C | N | C4 | 48.2° | 61.8° |
C | C1 | C2 | O2 | 122.8° | 120.0° |
C | C1 | C2 | H1 | 118.1° | 119.9° |
C | C1 | O2 | H1 | 117.5° | 120.1° |
C | C1 | C2 | O1 | 65.1° | 62.3° |
C | C1 | C2 | C3 | 58.2° | 57.6° |
C1 | C | H | HA | 119.9° | 119.9° |
C1 | C | N | HN | 169.5° | 174.2° |
C | C1 | C2 | H2 | 175.6° | 177.6° |
C | C1 | O2 | HO2 | 180.0° | 60.1° |
N | C4 | C3 | C2 | 56.6° | 59.2° |
N | C4 | C3 | H4 | 120.2° | 120.0° |
N | C4 | C3 | H4A | 120.3° | 120.1° |
N | C4 | C3 | C5 | 179.2° | 179.1° |
C4 | N | C | H | 168.3° | 178.2° |
C4 | N | C | HA | 71.8° | 58.3° |
N | C4 | C3 | H3 | 60.1° | 60.8° |
N | C4 | H4 | H4A | 119.3° | 120.0° |
O | C5 | C3 | C2 | 179.2° | 175.0° |
O | C5 | C3 | C4 | 59.1° | 65.2° |
O | C5 | C3 | H5 | 120.6° | 120.0° |
O | C5 | C3 | H5A | 120.6° | 120.0° |
O | C5 | C3 | H3 | 60.0° | 54.9° |
O | C5 | H5 | H5A | 118.3° | 120.0° |
C2 | C1 | O2 | H1 | 118.2° | 120.1° |
C1 | C2 | O1 | C3 | 122.7° | 119.7° |
C1 | C2 | O1 | H2 | 118.5° | 120.1° |
C1 | C2 | C3 | H2 | 117.1° | 120.0° |
C1 | C2 | C3 | C4 | 60.2° | 57.6° |
C1 | C2 | C3 | C5 | 175.6° | 177.6° |
C2 | C1 | C | H | 169.1° | 179.1° |
C2 | C1 | C | HA | 71.0° | 60.9° |
C1 | C2 | O1 | HO1 | 180.0° | 60.0° |
C2 | C1 | O2 | HO2 | 55.7° | 179.9° |
C1 | C2 | C3 | H3 | 56.5° | 62.3° |
O2 | C1 | C2 | O1 | 57.7° | 57.7° |
O2 | C1 | C2 | C3 | 179.0° | 177.6° |
O2 | C1 | C | H | 67.1° | 60.9° |
O2 | C1 | C | HA | 52.8° | 59.1° |
O2 | C1 | C2 | H2 | 61.6° | 62.4° |
O1 | C2 | C3 | H2 | 119.3° | 120.2° |
O1 | C2 | C3 | C4 | 63.4° | 62.3° |
O1 | C2 | C3 | C5 | 60.9° | 57.7° |
O1 | C2 | C1 | H1 | 176.8° | 177.8° |
O1 | C2 | C3 | H3 | 180.0° | 177.8° |
C2 | C3 | C4 | C5 | 124.2° | 120.0° |
C2 | C3 | C4 | H3 | 116.7° | 119.9° |
C2 | C3 | C5 | H3 | 119.2° | 120.1° |
C3 | C2 | C1 | H1 | 59.8° | 62.3° |
C3 | C2 | O1 | HO1 | 57.3° | 179.7° |
C2 | C3 | C4 | H4 | 63.6° | 60.8° |
C2 | C3 | C4 | H4A | 176.9° | 179.2° |
C2 | C3 | C5 | H5 | 60.2° | 65.0° |
C2 | C3 | C5 | H5A | 58.7° | 55.0° |
C4 | C3 | C5 | H3 | 119.1° | 120.1° |
C3 | C4 | N | HN | 174.5° | 174.2° |
C4 | C3 | C2 | H2 | 177.3° | 177.6° |
C3 | C4 | H4 | H4A | 119.2° | 119.9° |
C4 | C3 | C5 | H5 | 61.4° | 54.8° |
C4 | C3 | C5 | H5A | 179.7° | 174.8° |
C3 | C5 | O | HO | 180.0° | 180.0° |
C5 | C3 | C2 | H2 | 58.4° | 62.4° |
C5 | C3 | C4 | H4 | 60.5° | 59.1° |
C5 | C3 | C4 | H4A | 59.0° | 60.8° |
C3 | C5 | H5 | H5A | 118.2° | 120.0° |
H | C | N | HN | 70.4° | 54.2° |
H | C | C1 | H1 | 51.1° | 59.3° |
HA | C | N | HN | 49.5° | 65.8° |
HA | C | C1 | H1 | 171.1° | 179.2° |
HN | N | C4 | H4 | 54.3° | 65.9° |
HN | N | C4 | H4A | 65.2° | 54.1° |
HO | O | C5 | H5 | 59.4° | 60.0° |
HO | O | C5 | H5A | 59.5° | 60.0° |
H1 | C1 | C2 | H2 | 57.5° | 57.7° |
H1 | C1 | O2 | HO2 | 62.5° | 60.1° |
HO1 | O1 | C2 | H2 | 61.4° | 60.1° |
H2 | C2 | C3 | H3 | 60.7° | 57.6° |
H3 | C3 | C4 | H4 | 179.6° | 179.2° |
H3 | C3 | C4 | H4A | 60.1° | 59.3° |
H3 | C3 | C5 | H5 | 179.5° | 174.9° |
H3 | C3 | C5 | H5A | 60.6° | 65.1° |