X05
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CAK | sing | 1.43Å | 1.45Å | |
| CAK | CAL | sing | 1.52Å | 1.53Å | |
| CAK | CAJ | sing | 1.54Å | 1.55Å | |
| CAL | CAI | sing | 1.53Å | 1.52Å | |
| CAL | NAM | sing | 1.49Å | 1.47Å | |
| CAI | OAB | sing | 1.43Å | 1.43Å | |
| CAI | CAE | sing | 1.55Å | 1.52Å | |
| CAE | CAF | sing | 1.55Å | 1.53Å | |
| CAF | NAM | sing | 1.47Å | 1.47Å | |
| NAM | CAG | sing | 1.46Å | 1.49Å | |
| CAG | CAH | sing | 1.54Å | 1.54Å | |
| CAH | NAA | sing | 1.47Å | 1.47Å | |
| CAH | CAJ | sing | 1.53Å | 1.57Å | |
| CAJ | OAC | sing | 1.43Å | 1.45Å | |
| OAD | HAD | sing | 0.97Å | 0.95Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| OAB | HAB | sing | 0.97Å | 0.95Å | |
| CAE | HAE1 | sing | 1.09Å | 1.10Å | |
| CAE | HAE2 | sing | 1.09Å | 1.10Å | |
| CAF | HAF1 | sing | 1.09Å | 1.10Å | |
| CAF | HAF2 | sing | 1.09Å | 1.10Å | |
| CAG | HAG1 | sing | 1.09Å | 1.10Å | |
| CAG | HAG2 | sing | 1.09Å | 1.10Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| NAA | HAA1 | sing | 1.01Å | 1.00Å | |
| NAA | HAA2 | sing | 1.01Å | 1.00Å | |
| OAC | HAC | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CAK | CAL | 108.9° | 109.8° |
| OAD | CAK | CAJ | 113.7° | 109.8° |
| CAK | OAD | HAD | 109.5° | 114.0° |
| OAD | CAK | HAK | 106.7° | 109.8° |
| CAL | CAK | CAJ | 108.6° | 107.6° |
| CAK | CAL | CAI | 111.9° | 113.9° |
| CAK | CAL | NAM | 107.8° | 107.5° |
| CAL | CAK | HAK | 112.0° | 109.8° |
| CAK | CAL | HAL | 106.6° | 110.2° |
| CAK | CAJ | CAH | 113.0° | 110.6° |
| CAK | CAJ | OAC | 109.9° | 109.3° |
| CAJ | CAK | HAK | 107.0° | 109.9° |
| CAK | CAJ | HAJ | 107.5° | 109.3° |
| CAI | CAL | NAM | 100.6° | 103.8° |
| CAL | CAI | OAB | 109.0° | 110.5° |
| CAL | CAI | CAE | 101.5° | 104.2° |
| CAI | CAL | HAL | 113.1° | 110.3° |
| CAL | CAI | HAI | 114.4° | 110.5° |
| CAL | NAM | CAF | 102.2° | 103.7° |
| CAL | NAM | CAG | 115.2° | 109.3° |
| NAM | CAL | HAL | 116.9° | 110.9° |
| OAB | CAI | CAE | 108.3° | 110.5° |
| OAB | CAI | HAI | 108.3° | 110.5° |
| CAI | OAB | HAB | 109.5° | 114.0° |
| CAI | CAE | CAF | 105.1° | 104.9° |
| CAE | CAI | HAI | 115.0° | 110.5° |
| CAI | CAE | HAE1 | 110.9° | 110.4° |
| CAI | CAE | HAE2 | 111.9° | 110.4° |
| CAE | CAF | NAM | 103.9° | 103.5° |
| CAF | CAE | HAE1 | 111.0° | 110.3° |
| CAF | CAE | HAE2 | 111.9° | 110.3° |
| CAE | CAF | HAF1 | 111.4° | 110.6° |
| CAE | CAF | HAF2 | 112.6° | 110.6° |
| CAF | NAM | CAG | 114.8° | 116.5° |
| NAM | CAF | HAF1 | 111.4° | 110.6° |
| NAM | CAF | HAF2 | 112.6° | 110.7° |
| NAM | CAG | CAH | 110.8° | 107.8° |
| NAM | CAG | HAG1 | 109.0° | 109.8° |
| NAM | CAG | HAG2 | 108.7° | 109.8° |
| CAG | CAH | NAA | 108.8° | 109.2° |
| CAG | CAH | CAJ | 113.9° | 110.7° |
| CAH | CAG | HAG1 | 109.0° | 109.8° |
| CAH | CAG | HAG2 | 108.7° | 109.8° |
| CAG | CAH | HAH | 107.1° | 109.2° |
| NAA | CAH | CAJ | 109.9° | 109.2° |
| NAA | CAH | HAH | 111.3° | 109.2° |
| CAH | NAA | HAA1 | 109.5° | 111.0° |
| CAH | NAA | HAA2 | 109.5° | 111.0° |
| CAH | CAJ | OAC | 111.8° | 109.2° |
| CAH | CAJ | HAJ | 105.5° | 109.2° |
| CAJ | CAH | HAH | 105.9° | 109.2° |
| OAC | CAJ | HAJ | 108.9° | 109.2° |
| CAJ | OAC | HAC | 109.5° | 114.0° |
| HAE1 | CAE | HAE2 | 106.2° | 110.4° |
| HAF1 | CAF | HAF2 | 105.2° | 110.7° |
| HAG1 | CAG | HAG2 | 110.5° | 109.8° |
| HAA1 | NAA | HAA2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CAK | CAL | CAJ | 124.3° | 119.5° |
| OAD | CAK | CAL | HAK | 117.8° | 120.9° |
| OAD | CAK | CAJ | HAK | 117.6° | 121.0° |
| OAD | CAK | CAL | CAI | 63.9° | 63.2° |
| OAD | CAK | CAL | NAM | 173.5° | 177.6° |
| OAD | CAK | CAJ | CAH | 174.4° | 175.6° |
| OAD | CAK | CAJ | OAC | 60.0° | 64.1° |
| OAD | CAK | CAL | HAL | 60.2° | 61.4° |
| OAD | CAK | CAJ | HAJ | 58.4° | 55.4° |
| CAL | CAK | CAJ | HAK | 121.1° | 119.5° |
| CAK | CAL | CAI | NAM | 114.2° | 116.6° |
| CAK | CAL | CAI | HAL | 120.4° | 124.6° |
| CAK | CAL | NAM | HAL | 119.9° | 120.6° |
| CAK | CAL | CAI | OAB | 44.3° | 25.8° |
| CAK | CAL | CAI | CAE | 158.4° | 144.5° |
| CAK | CAL | NAM | CAF | 169.2° | 165.3° |
| CAK | CAL | NAM | CAG | 65.6° | 69.8° |
| CAL | CAK | CAJ | CAH | 53.0° | 56.1° |
| CAL | CAK | CAJ | OAC | 178.6° | 176.4° |
| CAL | CAK | OAD | HAD | 178.5° | 180.0° |
| CAL | CAK | CAJ | HAJ | 63.0° | 64.1° |
| CAK | CAL | CAI | HAI | 77.1° | 96.8° |
| CAJ | CAK | CAL | CAI | 171.9° | 177.3° |
| CAJ | CAK | CAL | NAM | 62.2° | 62.9° |
| CAK | CAJ | CAH | CAG | 43.5° | 53.7° |
| CAK | CAJ | CAH | NAA | 165.8° | 174.0° |
| CAK | CAJ | CAH | OAC | 124.6° | 120.3° |
| CAK | CAJ | CAH | HAJ | 117.2° | 120.3° |
| CAK | CAJ | OAC | HAJ | 117.5° | 119.5° |
| CAJ | CAK | OAD | HAD | 57.3° | 61.9° |
| CAJ | CAK | CAL | HAL | 64.0° | 58.1° |
| CAK | CAJ | CAH | HAH | 73.9° | 66.6° |
| CAK | CAJ | OAC | HAC | 156.7° | 180.0° |
| CAI | CAL | NAM | HAL | 122.9° | 118.5° |
| CAL | CAI | OAB | CAE | 109.6° | 114.8° |
| CAL | CAI | OAB | HAI | 125.0° | 122.6° |
| CAL | CAI | CAE | HAI | 124.1° | 118.7° |
| CAL | CAI | CAE | CAF | 20.6° | 2.5° |
| CAI | CAL | NAM | CAF | 52.0° | 44.3° |
| CAI | CAL | NAM | CAG | 177.1° | 169.2° |
| CAI | CAL | CAK | HAK | 53.9° | 57.7° |
| CAL | CAI | OAB | HAB | 33.3° | 180.0° |
| CAL | CAI | CAE | HAE1 | 99.4° | 116.3° |
| CAL | CAI | CAE | HAE2 | 142.2° | 121.3° |
| NAM | CAL | CAI | OAB | 69.9° | 90.8° |
| NAM | CAL | CAI | CAE | 44.2° | 27.9° |
| CAL | NAM | CAF | CAE | 38.4° | 42.2° |
| CAL | NAM | CAF | CAG | 125.4° | 120.2° |
| CAL | NAM | CAG | CAH | 54.5° | 65.6° |
| NAM | CAL | CAK | HAK | 55.8° | 56.7° |
| NAM | CAL | CAI | HAI | 168.7° | 146.6° |
| CAL | NAM | CAF | HAF1 | 81.5° | 76.2° |
| CAL | NAM | CAF | HAF2 | 160.5° | 160.7° |
| CAL | NAM | CAG | HAG1 | 65.5° | 54.0° |
| CAL | NAM | CAG | HAG2 | 173.9° | 174.9° |
| OAB | CAI | CAE | HAI | 121.3° | 122.6° |
| OAB | CAI | CAE | CAF | 94.1° | 116.2° |
| OAB | CAI | CAL | HAL | 164.6° | 150.3° |
| OAB | CAI | CAE | HAE1 | 145.9° | 124.9° |
| OAB | CAI | CAE | HAE2 | 27.6° | 2.6° |
| CAI | CAE | CAF | HAE1 | 120.0° | 118.9° |
| CAI | CAE | CAF | HAE2 | 121.6° | 118.8° |
| CAI | CAE | CAF | NAM | 10.2° | 24.0° |
| CAE | CAI | CAL | HAL | 81.2° | 91.0° |
| CAE | CAI | OAB | HAB | 143.0° | 65.2° |
| CAI | CAE | HAE1 | HAE2 | 121.7° | 122.3° |
| CAI | CAE | CAF | HAF1 | 109.8° | 94.5° |
| CAI | CAE | CAF | HAF2 | 132.3° | 142.5° |
| CAE | CAF | NAM | HAF1 | 120.0° | 118.5° |
| CAE | CAF | NAM | HAF2 | 122.1° | 118.5° |
| CAE | CAF | NAM | CAG | 163.9° | 162.4° |
| CAF | CAE | CAI | HAI | 144.7° | 121.2° |
| CAF | CAE | HAE1 | HAE2 | 121.8° | 122.2° |
| CAE | CAF | HAF1 | HAF2 | 122.3° | 122.9° |
| CAF | NAM | CAG | CAH | 172.7° | 177.3° |
| CAF | NAM | CAL | HAL | 70.9° | 74.2° |
| NAM | CAF | CAE | HAE1 | 130.2° | 142.9° |
| NAM | CAF | CAE | HAE2 | 111.4° | 94.9° |
| NAM | CAF | HAF1 | HAF2 | 122.3° | 123.0° |
| CAF | NAM | CAG | HAG1 | 52.7° | 63.1° |
| CAF | NAM | CAG | HAG2 | 67.8° | 57.7° |
| NAM | CAG | CAH | HAG1 | 120.0° | 119.6° |
| NAM | CAG | CAH | HAG2 | 119.4° | 119.6° |
| NAM | CAG | CAH | NAA | 164.5° | 177.7° |
| NAM | CAG | CAH | CAJ | 41.5° | 57.4° |
| CAG | NAM | CAL | HAL | 54.3° | 50.8° |
| CAG | NAM | CAF | HAF1 | 43.9° | 43.9° |
| CAG | NAM | CAF | HAF2 | 74.1° | 79.1° |
| NAM | CAG | HAG1 | HAG2 | 119.5° | 120.8° |
| NAM | CAG | CAH | HAH | 75.2° | 62.9° |
| CAG | CAH | NAA | CAJ | 125.3° | 121.2° |
| CAG | CAH | NAA | HAH | 117.7° | 119.4° |
| CAG | CAH | CAJ | HAH | 117.4° | 120.3° |
| CAG | CAH | CAJ | OAC | 168.1° | 174.1° |
| CAG | CAH | CAJ | HAJ | 73.7° | 66.5° |
| CAH | CAG | HAG1 | HAG2 | 119.5° | 120.8° |
| CAG | CAH | NAA | HAA1 | 10.8° | 60.0° |
| CAG | CAH | NAA | HAA2 | 109.2° | 176.0° |
| NAA | CAH | CAJ | HAH | 120.3° | 119.4° |
| NAA | CAH | CAJ | OAC | 69.6° | 65.6° |
| NAA | CAH | CAJ | HAJ | 48.6° | 53.8° |
| NAA | CAH | CAG | HAG1 | 44.5° | 58.1° |
| NAA | CAH | CAG | HAG2 | 76.1° | 62.7° |
| CAH | NAA | HAA1 | HAA2 | 120.0° | 124.0° |
| CAH | CAJ | OAC | HAJ | 116.2° | 119.4° |
| CAH | CAJ | CAK | HAK | 68.0° | 63.4° |
| CAJ | CAH | CAG | HAG1 | 78.5° | 62.2° |
| CAJ | CAH | CAG | HAG2 | 161.0° | 176.9° |
| CAJ | CAH | NAA | HAA1 | 114.5° | 178.8° |
| CAJ | CAH | NAA | HAA2 | 125.6° | 54.8° |
| CAH | CAJ | OAC | HAC | 30.4° | 58.8° |
| OAC | CAJ | CAK | HAK | 57.6° | 56.9° |
| OAC | CAJ | CAH | HAH | 50.7° | 53.8° |
| HAD | OAD | CAK | HAK | 60.5° | 59.1° |
| HAK | CAK | CAL | HAL | 178.0° | 177.7° |
| HAK | CAK | CAJ | HAJ | 175.9° | 176.3° |
| HAL | CAL | CAI | HAI | 43.3° | 27.8° |
| HAJ | CAJ | CAH | HAH | 168.9° | 173.2° |
| HAJ | CAJ | OAC | HAC | 85.7° | 60.6° |
| HAI | CAI | OAB | HAB | 91.7° | 57.4° |
| HAI | CAI | CAE | HAE1 | 24.7° | 2.4° |
| HAI | CAI | CAE | HAE2 | 93.7° | 119.9° |
| HAE1 | CAE | CAF | HAF1 | 10.2° | 24.4° |
| HAE1 | CAE | CAF | HAF2 | 107.7° | 98.6° |
| HAE2 | CAE | CAF | HAF1 | 128.6° | 146.6° |
| HAE2 | CAE | CAF | HAF2 | 10.7° | 23.7° |
| HAG1 | CAG | CAH | HAH | 164.9° | 177.6° |
| HAG2 | CAG | CAH | HAH | 44.3° | 56.7° |
| HAH | CAH | NAA | HAA1 | 128.6° | 59.4° |
| HAH | CAH | NAA | HAA2 | 8.6° | 64.6° |
