X09
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAI | sing | 1.43Å | 1.43Å | |
| CAI | CAJ | sing | 1.55Å | 1.52Å | |
| CAI | CAK | sing | 1.54Å | 1.53Å | |
| CAJ | OAD | sing | 1.43Å | 1.42Å | |
| CAJ | CAL | sing | 1.55Å | 1.53Å | |
| CAL | CAH | sing | 1.54Å | 1.54Å | |
| CAL | NAM | sing | 1.48Å | 1.49Å | |
| CAH | OAB | sing | 1.43Å | 1.45Å | |
| CAH | CAF | sing | 1.55Å | 1.54Å | |
| CAF | CAG | sing | 1.55Å | 1.54Å | |
| CAG | NAM | sing | 1.48Å | 1.47Å | |
| NAM | CAK | sing | 1.48Å | 1.48Å | |
| CAK | CAE | sing | 1.53Å | 1.51Å | |
| CAE | NAA | sing | 1.47Å | 1.46Å | |
| OAC | HAC | sing | 0.97Å | 0.95Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| OAD | HAD | sing | 0.97Å | 0.95Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| OAB | HAB | sing | 0.97Å | 0.95Å | |
| 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 | |
| CAE | HAE1 | sing | 1.09Å | 1.10Å | |
| CAE | HAE2 | sing | 1.09Å | 1.10Å | |
| NAA | HAA1 | sing | 1.01Å | 1.00Å | |
| NAA | HAA2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAI | CAJ | 112.7° | 110.7° |
| OAC | CAI | CAK | 113.3° | 110.7° |
| CAI | OAC | HAC | 109.5° | 114.0° |
| OAC | CAI | HAI | 101.2° | 110.7° |
| CAJ | CAI | CAK | 94.7° | 103.0° |
| CAI | CAJ | OAD | 110.8° | 111.0° |
| CAI | CAJ | CAL | 97.4° | 101.7° |
| CAJ | CAI | HAI | 118.1° | 110.7° |
| CAI | CAJ | HAJ | 116.8° | 111.0° |
| CAI | CAK | NAM | 100.6° | 107.4° |
| CAI | CAK | CAE | 112.3° | 109.9° |
| CAK | CAI | HAI | 117.6° | 110.9° |
| CAI | CAK | HAK | 113.0° | 109.8° |
| OAD | CAJ | CAL | 110.9° | 111.0° |
| OAD | CAJ | HAJ | 104.5° | 110.9° |
| CAJ | OAD | HAD | 109.5° | 114.0° |
| CAJ | CAL | CAH | 117.2° | 109.2° |
| CAJ | CAL | NAM | 103.6° | 104.8° |
| CAL | CAJ | HAJ | 116.6° | 110.9° |
| CAJ | CAL | HAL | 107.9° | 111.5° |
| CAH | CAL | NAM | 107.7° | 107.3° |
| CAL | CAH | OAB | 114.0° | 110.4° |
| CAL | CAH | CAF | 100.2° | 105.2° |
| CAH | CAL | HAL | 103.7° | 111.5° |
| CAL | CAH | HAH | 113.9° | 110.4° |
| CAL | NAM | CAG | 108.3° | 105.9° |
| CAL | NAM | CAK | 105.1° | 108.3° |
| NAM | CAL | HAL | 117.3° | 112.2° |
| OAB | CAH | CAF | 112.7° | 110.3° |
| OAB | CAH | HAH | 101.7° | 110.2° |
| CAH | OAB | HAB | 109.5° | 114.0° |
| CAH | CAF | CAG | 103.9° | 102.9° |
| CAF | CAH | HAH | 115.1° | 110.3° |
| CAH | CAF | HAF1 | 111.4° | 110.8° |
| CAH | CAF | HAF2 | 112.5° | 110.7° |
| CAF | CAG | NAM | 102.5° | 103.7° |
| CAG | CAF | HAF1 | 111.4° | 110.7° |
| CAG | CAF | HAF2 | 112.5° | 110.7° |
| CAF | CAG | HAG1 | 111.9° | 110.6° |
| CAF | CAG | HAG2 | 113.4° | 110.6° |
| CAG | NAM | CAK | 120.1° | 109.4° |
| NAM | CAG | HAG1 | 111.9° | 110.6° |
| NAM | CAG | HAG2 | 113.3° | 110.6° |
| NAM | CAK | CAE | 108.2° | 109.9° |
| NAM | CAK | HAK | 116.8° | 109.9° |
| CAK | CAE | NAA | 112.0° | 109.5° |
| CAE | CAK | HAK | 106.0° | 109.9° |
| CAK | CAE | HAE1 | 108.6° | 109.6° |
| CAK | CAE | HAE2 | 108.1° | 109.5° |
| NAA | CAE | HAE1 | 108.6° | 109.5° |
| NAA | CAE | HAE2 | 108.0° | 109.4° |
| CAE | NAA | HAA1 | 109.5° | 111.0° |
| CAE | NAA | HAA2 | 109.4° | 111.0° |
| HAF1 | CAF | HAF2 | 105.3° | 110.8° |
| HAG1 | CAG | HAG2 | 104.2° | 110.6° |
| HAE1 | CAE | HAE2 | 111.5° | 109.4° |
| HAA1 | NAA | HAA2 | 109.4° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAI | CAJ | CAK | 117.7° | 118.4° |
| OAC | CAI | CAJ | HAI | 117.5° | 123.1° |
| OAC | CAI | CAK | HAI | 117.6° | 123.2° |
| OAC | CAI | CAJ | OAD | 68.7° | 87.8° |
| OAC | CAI | CAJ | CAL | 175.5° | 154.1° |
| OAC | CAI | CAK | NAM | 173.1° | 140.6° |
| OAC | CAI | CAK | CAE | 72.1° | 99.9° |
| OAC | CAI | CAJ | HAJ | 50.7° | 36.0° |
| OAC | CAI | CAK | HAK | 47.8° | 21.2° |
| CAJ | CAI | CAK | HAI | 125.2° | 118.4° |
| CAI | CAJ | OAD | CAL | 107.0° | 112.3° |
| CAI | CAJ | OAD | HAJ | 126.6° | 123.9° |
| CAI | CAJ | CAL | HAJ | 124.9° | 118.1° |
| CAI | CAJ | CAL | CAH | 158.7° | 151.9° |
| CAI | CAJ | CAL | NAM | 40.2° | 37.1° |
| CAJ | CAI | CAK | NAM | 56.0° | 22.3° |
| CAJ | CAI | CAK | CAE | 170.8° | 141.8° |
| CAJ | CAI | OAC | HAC | 156.6° | 61.5° |
| CAJ | CAI | CAK | HAK | 69.3° | 97.2° |
| CAI | CAJ | OAD | HAD | 58.6° | 61.5° |
| CAI | CAJ | CAL | HAL | 84.8° | 84.5° |
| CAK | CAI | CAJ | OAD | 173.6° | 153.8° |
| CAK | CAI | CAJ | CAL | 57.9° | 35.7° |
| CAI | CAK | NAM | CAL | 31.5° | 1.0° |
| CAI | CAK | NAM | CAG | 153.6° | 114.0° |
| CAI | CAK | NAM | CAE | 117.9° | 119.5° |
| CAI | CAK | NAM | HAK | 122.7° | 119.4° |
| CAI | CAK | CAE | HAK | 123.9° | 121.0° |
| CAI | CAK | CAE | NAA | 34.3° | 173.5° |
| CAK | CAI | OAC | HAC | 50.6° | 175.1° |
| CAK | CAI | CAJ | HAJ | 66.9° | 82.4° |
| CAI | CAK | CAE | HAE1 | 85.7° | 66.4° |
| CAI | CAK | CAE | HAE2 | 153.2° | 53.6° |
| OAD | CAJ | CAL | HAJ | 119.4° | 123.7° |
| OAD | CAJ | CAL | CAH | 85.7° | 90.0° |
| OAD | CAJ | CAL | NAM | 155.8° | 155.3° |
| OAD | CAJ | CAI | HAI | 48.8° | 35.3° |
| OAD | CAJ | CAL | HAL | 30.8° | 33.7° |
| CAJ | CAL | CAH | NAM | 116.2° | 113.1° |
| CAJ | CAL | CAH | HAL | 118.7° | 123.6° |
| CAJ | CAL | NAM | HAL | 118.7° | 121.2° |
| CAJ | CAL | CAH | OAB | 19.5° | 4.9° |
| CAJ | CAL | CAH | CAF | 140.1° | 114.1° |
| CAJ | CAL | NAM | CAG | 124.1° | 93.1° |
| CAJ | CAL | NAM | CAK | 5.4° | 24.2° |
| CAL | CAJ | CAI | HAI | 66.9° | 82.8° |
| CAL | CAJ | OAD | HAD | 165.5° | 173.8° |
| CAJ | CAL | CAH | HAH | 96.5° | 126.9° |
| CAH | CAL | NAM | HAL | 116.5° | 122.8° |
| CAL | CAH | OAB | CAF | 113.3° | 115.8° |
| CAL | CAH | OAB | HAH | 122.9° | 122.2° |
| CAL | CAH | CAF | HAH | 122.6° | 119.0° |
| CAL | CAH | CAF | CAG | 39.0° | 23.1° |
| CAH | CAL | NAM | CAG | 0.7° | 22.9° |
| CAH | CAL | NAM | CAK | 130.2° | 140.2° |
| CAH | CAL | CAJ | HAJ | 33.7° | 33.8° |
| CAL | CAH | OAB | HAB | 13.3° | 180.0° |
| CAL | CAH | CAF | HAF1 | 81.0° | 95.3° |
| CAL | CAH | CAF | HAF2 | 161.1° | 141.5° |
| NAM | CAL | CAH | OAB | 96.7° | 118.0° |
| NAM | CAL | CAH | CAF | 23.9° | 1.0° |
| CAL | NAM | CAG | CAF | 25.2° | 37.5° |
| CAL | NAM | CAG | CAK | 120.6° | 116.5° |
| CAL | NAM | CAK | CAE | 149.4° | 118.5° |
| NAM | CAL | CAJ | HAJ | 84.8° | 81.0° |
| CAL | NAM | CAK | HAK | 91.2° | 120.5° |
| NAM | CAL | CAH | HAH | 147.3° | 120.0° |
| CAL | NAM | CAG | HAG1 | 145.1° | 156.0° |
| CAL | NAM | CAG | HAG2 | 97.4° | 81.0° |
| OAB | CAH | CAF | HAH | 115.9° | 122.0° |
| OAB | CAH | CAF | CAG | 82.5° | 95.9° |
| OAB | CAH | CAL | HAL | 138.2° | 118.8° |
| OAB | CAH | CAF | HAF1 | 157.5° | 145.8° |
| OAB | CAH | CAF | HAF2 | 39.6° | 22.5° |
| CAH | CAF | CAG | HAF1 | 120.0° | 118.4° |
| CAH | CAF | CAG | HAF2 | 122.0° | 118.3° |
| CAH | CAF | CAG | NAM | 40.6° | 37.2° |
| CAF | CAH | CAL | HAL | 101.2° | 122.3° |
| CAF | CAH | OAB | HAB | 126.6° | 64.2° |
| CAH | CAF | HAF1 | HAF2 | 122.3° | 123.2° |
| CAH | CAF | CAG | HAG1 | 160.6° | 155.7° |
| CAH | CAF | CAG | HAG2 | 81.9° | 81.3° |
| CAF | CAG | NAM | HAG1 | 120.0° | 118.5° |
| CAF | CAG | NAM | HAG2 | 122.5° | 118.6° |
| CAF | CAG | NAM | CAK | 145.7° | 154.1° |
| CAG | CAF | CAH | HAH | 161.6° | 142.1° |
| CAG | CAF | HAF1 | HAF2 | 122.2° | 123.3° |
| CAF | CAG | HAG1 | HAG2 | 122.9° | 122.9° |
| CAG | NAM | CAK | CAE | 88.5° | 126.5° |
| CAG | NAM | CAK | HAK | 30.9° | 5.4° |
| CAG | NAM | CAL | HAL | 117.2° | 145.7° |
| NAM | CAG | CAF | HAF1 | 79.4° | 81.2° |
| NAM | CAG | CAF | HAF2 | 162.6° | 155.6° |
| NAM | CAG | HAG1 | HAG2 | 122.8° | 122.9° |
| NAM | CAK | CAE | HAK | 126.0° | 121.0° |
| NAM | CAK | CAE | NAA | 144.4° | 55.6° |
| NAM | CAK | CAI | HAI | 69.2° | 96.1° |
| CAK | NAM | CAL | HAL | 113.3° | 97.0° |
| CAK | NAM | CAG | HAG1 | 94.3° | 87.4° |
| CAK | NAM | CAG | HAG2 | 23.2° | 35.5° |
| NAM | CAK | CAE | HAE1 | 24.4° | 175.6° |
| NAM | CAK | CAE | HAE2 | 96.7° | 64.4° |
| CAK | CAE | NAA | HAE1 | 120.0° | 120.1° |
| CAK | CAE | NAA | HAE2 | 118.9° | 120.0° |
| CAE | CAK | CAI | HAI | 45.6° | 23.3° |
| CAK | CAE | HAE1 | HAE2 | 118.9° | 120.1° |
| CAK | CAE | NAA | HAA1 | 92.9° | 56.1° |
| CAK | CAE | NAA | HAA2 | 147.2° | 180.0° |
| NAA | CAE | CAK | HAK | 89.5° | 65.5° |
| NAA | CAE | HAE1 | HAE2 | 119.0° | 119.9° |
| CAE | NAA | HAA1 | HAA2 | 120.0° | 123.9° |
| HAC | OAC | CAI | HAI | 76.2° | 61.6° |
| HAI | CAI | CAJ | HAJ | 168.3° | 159.1° |
| HAI | CAI | CAK | HAK | 165.5° | 144.4° |
| HAJ | CAJ | OAD | HAD | 68.0° | 62.4° |
| HAJ | CAJ | CAL | HAL | 150.2° | 157.4° |
| HAK | CAK | CAE | HAE1 | 150.4° | 54.6° |
| HAK | CAK | CAE | HAE2 | 29.4° | 174.6° |
| HAL | CAL | CAH | HAH | 22.2° | 3.3° |
| HAH | CAH | OAB | HAB | 109.6° | 57.8° |
| HAH | CAH | CAF | HAF1 | 41.6° | 23.7° |
| HAH | CAH | CAF | HAF2 | 76.4° | 99.5° |
| HAF1 | CAF | CAG | HAG1 | 40.6° | 37.3° |
| HAF1 | CAF | CAG | HAG2 | 158.1° | 160.3° |
| HAF2 | CAF | CAG | HAG1 | 77.4° | 85.9° |
| HAF2 | CAF | CAG | HAG2 | 40.1° | 37.0° |
| HAE1 | CAE | NAA | HAA1 | 27.1° | 64.0° |
| HAE1 | CAE | NAA | HAA2 | 92.8° | 59.9° |
| HAE2 | CAE | NAA | HAA1 | 148.2° | 176.1° |
| HAE2 | CAE | NAA | HAA2 | 28.3° | 60.0° |
