0YR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | NAH | sing | 1.42Å | 1.41Å | |
| NAH | CAI | sing | 1.35Å | 1.36Å | |
| CAI | OAA | doub | 1.21Å | 1.26Å | |
| CAI | CAK | sing | 1.51Å | 1.59Å | |
| CAK | OAE | sing | 1.43Å | 1.44Å | |
| CAK | CAL | sing | 1.53Å | 1.53Å | |
| OAF | CAL | sing | 1.43Å | 1.45Å | |
| CAL | CAJ | sing | 1.53Å | 1.59Å | |
| CAJ | OAD | sing | 1.43Å | 1.45Å | |
| CAJ | CAG | sing | 1.53Å | 1.54Å | |
| CAG | OAB | sing | 1.43Å | 1.49Å | |
| CAG | H1 | sing | 1.09Å | 1.10Å | |
| CAG | H2 | sing | 1.09Å | 1.10Å | |
| NAH | H3 | sing | 0.97Å | 1.00Å | |
| CAJ | H4 | sing | 1.09Å | 1.10Å | |
| CAK | H5 | sing | 1.09Å | 1.10Å | |
| CAL | H6 | sing | 1.09Å | 1.10Å | |
| OAB | H7 | sing | 0.97Å | 0.95Å | |
| OAD | H8 | sing | 0.97Å | 0.95Å | |
| OAF | H9 | sing | 0.97Å | 0.95Å | |
| OAE | H10 | sing | 0.97Å | 0.95Å | |
| OAC | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | NAH | CAI | 116.6° | 120.0° |
| OAC | NAH | H3 | 121.7° | 120.0° |
| NAH | OAC | H11 | 109.5° | 114.0° |
| NAH | CAI | OAA | 123.0° | 120.0° |
| NAH | CAI | CAK | 112.9° | 120.0° |
| CAI | NAH | H3 | 121.7° | 120.0° |
| OAA | CAI | CAK | 123.7° | 120.0° |
| CAI | CAK | OAE | 105.1° | 109.5° |
| CAI | CAK | CAL | 115.6° | 109.5° |
| CAI | CAK | H5 | 109.2° | 109.5° |
| OAE | CAK | CAL | 105.6° | 109.5° |
| OAE | CAK | H5 | 111.3° | 109.5° |
| CAK | OAE | H10 | 109.5° | 114.0° |
| CAK | CAL | OAF | 107.8° | 109.5° |
| CAK | CAL | CAJ | 107.1° | 109.5° |
| CAL | CAK | H5 | 110.0° | 109.4° |
| CAK | CAL | H6 | 108.8° | 109.5° |
| OAF | CAL | CAJ | 115.0° | 109.5° |
| OAF | CAL | H6 | 109.8° | 109.4° |
| CAL | OAF | H9 | 109.5° | 113.9° |
| CAL | CAJ | OAD | 106.1° | 109.4° |
| CAL | CAJ | CAG | 112.9° | 109.5° |
| CAL | CAJ | H4 | 109.3° | 109.5° |
| CAJ | CAL | H6 | 108.1° | 109.5° |
| OAD | CAJ | CAG | 107.2° | 109.5° |
| OAD | CAJ | H4 | 111.3° | 109.5° |
| CAJ | OAD | H8 | 109.5° | 114.0° |
| CAJ | CAG | OAB | 106.5° | 109.4° |
| CAJ | CAG | H1 | 110.2° | 109.5° |
| CAJ | CAG | H2 | 110.2° | 109.5° |
| CAG | CAJ | H4 | 110.0° | 109.5° |
| OAB | CAG | H1 | 110.2° | 109.4° |
| OAB | CAG | H2 | 110.2° | 109.5° |
| CAG | OAB | H7 | 109.5° | 114.0° |
| H1 | CAG | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | NAH | CAI | H3 | 180.0° | 180.0° |
| OAC | NAH | CAI | OAA | 3.9° | 0.0° |
| OAC | NAH | CAI | CAK | 169.2° | 180.0° |
| NAH | CAI | OAA | CAK | 172.4° | 179.9° |
| NAH | CAI | CAK | OAE | 85.4° | 174.9° |
| NAH | CAI | CAK | CAL | 158.6° | 65.0° |
| NAH | CAI | CAK | H5 | 34.0° | 54.9° |
| CAI | NAH | OAC | H11 | 1.8° | 180.0° |
| OAA | CAI | CAK | OAE | 87.6° | 5.0° |
| OAA | CAI | CAK | CAL | 28.3° | 115.0° |
| OAA | CAI | NAH | H3 | 176.1° | 180.0° |
| OAA | CAI | CAK | H5 | 152.9° | 125.0° |
| CAI | CAK | OAE | CAL | 122.6° | 120.0° |
| CAI | CAK | OAE | H5 | 118.0° | 120.0° |
| CAI | CAK | CAL | H5 | 124.2° | 120.0° |
| CAI | CAK | CAL | OAF | 51.4° | 60.0° |
| CAI | CAK | CAL | CAJ | 175.7° | 180.0° |
| CAK | CAI | NAH | H3 | 10.8° | 0.0° |
| CAI | CAK | CAL | H6 | 67.6° | 60.0° |
| CAI | CAK | OAE | H10 | 180.0° | 60.0° |
| OAE | CAK | CAL | H5 | 120.2° | 120.0° |
| OAE | CAK | CAL | OAF | 167.1° | 180.0° |
| OAE | CAK | CAL | CAJ | 68.6° | 60.0° |
| OAE | CAK | CAL | H6 | 48.0° | 60.0° |
| CAK | CAL | OAF | CAJ | 119.4° | 120.0° |
| CAK | CAL | OAF | H6 | 118.4° | 120.0° |
| CAK | CAL | CAJ | H6 | 117.1° | 120.0° |
| CAK | CAL | CAJ | OAD | 73.5° | 60.0° |
| CAK | CAL | CAJ | CAG | 169.4° | 180.0° |
| CAK | CAL | CAJ | H4 | 46.5° | 60.0° |
| CAK | CAL | OAF | H9 | 180.0° | 60.0° |
| CAL | CAK | OAE | H10 | 57.4° | 60.0° |
| OAF | CAL | CAJ | H6 | 123.2° | 119.9° |
| OAF | CAL | CAJ | OAD | 166.7° | 180.0° |
| OAF | CAL | CAJ | CAG | 49.6° | 60.0° |
| OAF | CAL | CAJ | H4 | 73.2° | 60.1° |
| OAF | CAL | CAK | H5 | 72.7° | 60.0° |
| CAL | CAJ | OAD | CAG | 120.9° | 120.0° |
| CAL | CAJ | OAD | H4 | 118.8° | 120.0° |
| CAL | CAJ | CAG | H4 | 122.4° | 120.0° |
| CAL | CAJ | CAG | OAB | 55.4° | 175.0° |
| CAL | CAJ | CAG | H1 | 175.0° | 55.1° |
| CAL | CAJ | CAG | H2 | 64.1° | 65.0° |
| CAJ | CAL | CAK | H5 | 51.6° | 60.0° |
| CAL | CAJ | OAD | H8 | 180.0° | 60.1° |
| CAJ | CAL | OAF | H9 | 60.6° | 60.0° |
| OAD | CAJ | CAG | H4 | 121.1° | 120.0° |
| OAD | CAJ | CAG | OAB | 61.0° | 65.0° |
| OAD | CAJ | CAG | H1 | 58.5° | 175.0° |
| OAD | CAJ | CAG | H2 | 179.4° | 55.0° |
| OAD | CAJ | CAL | H6 | 43.6° | 60.0° |
| CAJ | CAG | OAB | H1 | 119.5° | 119.9° |
| CAJ | CAG | OAB | H2 | 119.5° | 120.0° |
| CAJ | CAG | H1 | H2 | 121.3° | 120.0° |
| CAG | CAJ | CAL | H6 | 73.5° | 59.9° |
| CAJ | CAG | OAB | H7 | 180.0° | 180.0° |
| CAG | CAJ | OAD | H8 | 59.1° | 59.9° |
| OAB | CAG | H1 | H2 | 121.4° | 120.0° |
| OAB | CAG | CAJ | H4 | 177.9° | 55.0° |
| H1 | CAG | CAJ | H4 | 62.6° | 65.0° |
| H1 | CAG | OAB | H7 | 60.5° | 60.1° |
| H2 | CAG | CAJ | H4 | 58.3° | 175.0° |
| H2 | CAG | OAB | H7 | 60.5° | 60.0° |
| H3 | NAH | OAC | H11 | 178.2° | 0.0° |
| H4 | CAJ | CAL | H6 | 163.6° | NaN° |
| H4 | CAJ | OAD | H8 | 61.2° | 180.0° |
| H5 | CAK | CAL | H6 | 168.2° | 180.0° |
| H5 | CAK | OAE | H10 | 62.0° | 180.0° |
| H6 | CAL | OAF | H9 | 61.6° | 180.0° |
