DI9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAB | CAJ | sing | 1.54Å | 1.53Å | |
| CAB | CAC | sing | 1.54Å | 1.53Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| CAJ | CAK | sing | 1.55Å | 1.53Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
| CAK | CAL | sing | 1.55Å | 1.53Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| CAL | CAC | sing | 1.54Å | 1.53Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CAC | OAD | sing | 1.43Å | 1.43Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| OAD | PAE | sing | 1.61Å | 1.61Å | |
| PAE | NAM | sing | 1.68Å | 1.62Å | |
| PAE | OAA | doub | 1.48Å | 1.48Å | |
| PAE | OAF | sing | 1.61Å | 1.61Å | |
| NAM | HAM1 | sing | 1.01Å | 1.00Å | |
| NAM | HAM2 | sing | 1.01Å | 1.00Å | |
| OAF | CAG | sing | 1.43Å | 1.43Å | |
| CAG | CAH | sing | 1.54Å | 1.53Å | |
| CAG | CAN | sing | 1.54Å | 1.53Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAH | CAI | sing | 1.54Å | 1.53Å | |
| CAH | HAH1 | sing | 1.09Å | 1.10Å | |
| CAH | HAH2 | sing | 1.09Å | 1.10Å | |
| CAI | CAO | sing | 1.55Å | 1.53Å | |
| CAI | HAI1 | sing | 1.09Å | 1.10Å | |
| CAI | HAI2 | sing | 1.09Å | 1.10Å | |
| CAO | CAN | sing | 1.55Å | 1.53Å | |
| CAO | HAO1 | sing | 1.09Å | 1.10Å | |
| CAO | HAO2 | sing | 1.09Å | 1.10Å | |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAJ | CAB | CAC | 105.5° | 106.6° |
| CAJ | CAB | HAB1 | 111.6° | 110.0° |
| CAJ | CAB | HAB2 | 110.8° | 110.0° |
| CAB | CAJ | CAK | 102.4° | 104.2° |
| CAB | CAJ | HAJ1 | 113.4° | 110.5° |
| CAB | CAJ | HAJ2 | 111.9° | 110.5° |
| CAC | CAB | HAB1 | 111.7° | 110.0° |
| CAC | CAB | HAB2 | 110.8° | 110.0° |
| CAB | CAC | CAL | 103.4° | 106.6° |
| CAB | CAC | OAD | 107.9° | 110.1° |
| CAB | CAC | HAC | 113.9° | 110.1° |
| HAB1 | CAB | HAB2 | 106.4° | 110.0° |
| CAK | CAJ | HAJ1 | 113.4° | 110.5° |
| CAK | CAJ | HAJ2 | 111.9° | 110.5° |
| CAJ | CAK | CAL | 98.3° | 102.7° |
| CAJ | CAK | HAK1 | 115.6° | 110.8° |
| CAJ | CAK | HAK2 | 113.3° | 110.7° |
| HAJ1 | CAJ | HAJ2 | 104.2° | 110.6° |
| CAL | CAK | HAK1 | 115.6° | 110.8° |
| CAL | CAK | HAK2 | 113.4° | 110.7° |
| CAK | CAL | CAC | 100.5° | 104.1° |
| CAK | CAL | HAL1 | 114.4° | 110.5° |
| CAK | CAL | HAL2 | 112.6° | 110.5° |
| HAK1 | CAK | HAK2 | 101.3° | 110.8° |
| CAC | CAL | HAL1 | 114.5° | 110.5° |
| CAC | CAL | HAL2 | 112.6° | 110.5° |
| CAL | CAC | OAD | 108.4° | 110.0° |
| CAL | CAC | HAC | 113.5° | 110.1° |
| HAL1 | CAL | HAL2 | 102.8° | 110.5° |
| OAD | CAC | HAC | 109.3° | 110.0° |
| CAC | OAD | PAE | 120.9° | 106.8° |
| OAD | PAE | NAM | 106.3° | 109.5° |
| OAD | PAE | OAA | 112.8° | 109.5° |
| OAD | PAE | OAF | 106.1° | 109.4° |
| NAM | PAE | OAA | 112.6° | 109.5° |
| NAM | PAE | OAF | 106.0° | 109.4° |
| PAE | NAM | HAM1 | 109.4° | 106.7° |
| PAE | NAM | HAM2 | 109.5° | 106.7° |
| OAA | PAE | OAF | 112.5° | 109.5° |
| PAE | OAF | CAG | 120.1° | 106.8° |
| HAM1 | NAM | HAM2 | 109.5° | 106.7° |
| OAF | CAG | CAH | 109.1° | 110.0° |
| OAF | CAG | CAN | 107.6° | 110.0° |
| OAF | CAG | HAG | 109.3° | 110.0° |
| CAH | CAG | CAN | 104.1° | 106.6° |
| CAH | CAG | HAG | 112.5° | 110.1° |
| CAG | CAH | CAI | 100.2° | 106.6° |
| CAG | CAH | HAH1 | 114.6° | 110.0° |
| CAG | CAH | HAH2 | 112.7° | 110.1° |
| CAN | CAG | HAG | 114.0° | 110.1° |
| CAG | CAN | CAO | 105.1° | 104.2° |
| CAG | CAN | HAN1 | 111.9° | 110.5° |
| CAG | CAN | HAN2 | 110.9° | 110.5° |
| CAI | CAH | HAH1 | 114.6° | 110.0° |
| CAI | CAH | HAH2 | 112.7° | 110.1° |
| CAH | CAI | CAO | 98.5° | 104.2° |
| CAH | CAI | HAI1 | 115.5° | 110.5° |
| CAH | CAI | HAI2 | 113.3° | 110.5° |
| HAH1 | CAH | HAH2 | 102.6° | 110.0° |
| CAO | CAI | HAI1 | 115.5° | 110.5° |
| CAO | CAI | HAI2 | 113.3° | 110.5° |
| CAI | CAO | CAN | 102.6° | 102.8° |
| CAI | CAO | HAO1 | 113.3° | 110.8° |
| CAI | CAO | HAO2 | 111.8° | 110.8° |
| HAI1 | CAI | HAI2 | 101.4° | 110.5° |
| CAN | CAO | HAO1 | 113.3° | 110.8° |
| CAN | CAO | HAO2 | 111.8° | 110.7° |
| CAO | CAN | HAN1 | 111.9° | 110.5° |
| CAO | CAN | HAN2 | 111.0° | 110.5° |
| HAO1 | CAO | HAO2 | 104.3° | 110.8° |
| HAN1 | CAN | HAN2 | 106.1° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAJ | CAB | CAC | HAB1 | 121.5° | 119.3° |
| CAJ | CAB | CAC | HAB2 | 120.0° | 119.3° |
| CAJ | CAB | HAB1 | HAB2 | 121.0° | 121.4° |
| CAB | CAJ | CAK | HAJ1 | 122.5° | 118.6° |
| CAB | CAJ | CAK | HAJ2 | 120.0° | 118.7° |
| CAB | CAJ | HAJ1 | HAJ2 | 121.9° | 122.7° |
| CAB | CAJ | CAK | CAL | 47.3° | 38.0° |
| CAB | CAJ | CAK | HAK1 | 171.0° | 80.3° |
| CAB | CAJ | CAK | HAK2 | 72.7° | 156.2° |
| CAJ | CAB | CAC | CAL | 9.7° | 0.0° |
| CAJ | CAB | CAC | OAD | 105.1° | 119.3° |
| CAJ | CAB | CAC | HAC | 133.3° | 119.4° |
| CAC | CAB | HAB1 | HAB2 | 121.1° | 121.4° |
| CAC | CAB | CAJ | CAK | 23.5° | 23.6° |
| CAC | CAB | CAJ | HAJ1 | 99.0° | 142.3° |
| CAC | CAB | CAJ | HAJ2 | 143.5° | 95.0° |
| CAB | CAC | CAL | CAK | 39.2° | 23.6° |
| CAB | CAC | CAL | OAD | 114.4° | 119.3° |
| CAB | CAC | CAL | HAC | 123.9° | 119.4° |
| CAB | CAC | CAL | HAL1 | 84.0° | 95.1° |
| CAB | CAC | CAL | HAL2 | 159.1° | 142.3° |
| CAB | CAC | OAD | HAC | 124.4° | 121.4° |
| CAB | CAC | OAD | PAE | 152.3° | 120.0° |
| HAB1 | CAB | CAJ | CAK | 98.0° | 95.7° |
| HAB1 | CAB | CAJ | HAJ1 | 139.4° | 23.0° |
| HAB1 | CAB | CAJ | HAJ2 | 22.0° | 145.7° |
| HAB1 | CAB | CAC | CAL | 131.2° | 119.3° |
| HAB1 | CAB | CAC | OAD | 16.4° | 121.4° |
| HAB1 | CAB | CAC | HAC | 105.2° | 0.1° |
| HAB2 | CAB | CAJ | CAK | 143.5° | 142.9° |
| HAB2 | CAB | CAJ | HAJ1 | 21.0° | 98.5° |
| HAB2 | CAB | CAJ | HAJ2 | 96.5° | 24.2° |
| HAB2 | CAB | CAC | CAL | 110.3° | 119.3° |
| HAB2 | CAB | CAC | OAD | 134.9° | 0.0° |
| HAB2 | CAB | CAC | HAC | 13.3° | 121.3° |
| CAK | CAJ | HAJ1 | HAJ2 | 121.9° | 122.6° |
| CAJ | CAK | CAL | HAK1 | 123.7° | 118.4° |
| CAJ | CAK | CAL | HAK2 | 120.0° | 118.3° |
| CAJ | CAK | HAK1 | HAK2 | 122.9° | 123.4° |
| CAJ | CAK | CAL | CAC | 53.5° | 38.0° |
| CAJ | CAK | CAL | HAL1 | 69.6° | 80.7° |
| CAJ | CAK | CAL | HAL2 | 173.5° | 156.7° |
| HAJ1 | CAJ | CAK | CAL | 75.2° | 156.6° |
| HAJ1 | CAJ | CAK | HAK1 | 48.5° | 38.3° |
| HAJ1 | CAJ | CAK | HAK2 | 164.8° | 85.2° |
| HAJ2 | CAJ | CAK | CAL | 167.3° | 80.7° |
| HAJ2 | CAJ | CAK | HAK1 | 69.0° | 160.9° |
| HAJ2 | CAJ | CAK | HAK2 | 47.3° | 37.5° |
| CAL | CAK | HAK1 | HAK2 | 122.9° | 123.3° |
| CAK | CAL | CAC | HAL1 | 123.1° | 118.7° |
| CAK | CAL | CAC | HAL2 | 120.0° | 118.7° |
| CAK | CAL | HAL1 | HAL2 | 122.4° | 122.6° |
| CAK | CAL | CAC | OAD | 75.3° | 142.9° |
| CAK | CAL | CAC | HAC | 163.1° | 95.7° |
| HAK1 | CAK | CAL | CAC | 177.2° | 80.4° |
| HAK1 | CAK | CAL | HAL1 | 54.1° | 160.9° |
| HAK1 | CAK | CAL | HAL2 | 62.8° | 38.3° |
| HAK2 | CAK | CAL | CAC | 66.5° | 156.2° |
| HAK2 | CAK | CAL | HAL1 | 170.4° | 37.6° |
| HAK2 | CAK | CAL | HAL2 | 53.5° | 85.1° |
| CAC | CAL | HAL1 | HAL2 | 122.4° | 122.7° |
| CAL | CAC | OAD | HAC | 124.2° | 121.4° |
| CAL | CAC | OAD | PAE | 96.2° | 122.8° |
| HAL1 | CAL | CAC | OAD | 161.6° | 24.3° |
| HAL1 | CAL | CAC | HAC | 40.0° | 145.6° |
| HAL2 | CAL | CAC | OAD | 44.7° | 98.4° |
| HAL2 | CAL | CAC | HAC | 76.9° | 22.9° |
| CAC | OAD | PAE | NAM | 22.2° | 70.0° |
| CAC | OAD | PAE | OAA | 146.1° | 50.0° |
| CAC | OAD | PAE | OAF | 90.2° | 170.0° |
| HAC | CAC | OAD | PAE | 27.9° | 1.4° |
| OAD | PAE | NAM | OAA | 124.0° | 120.0° |
| OAD | PAE | NAM | OAF | 112.5° | 120.0° |
| OAD | PAE | OAA | OAF | 120.0° | 120.0° |
| OAD | PAE | NAM | HAM1 | 27.0° | 60.0° |
| OAD | PAE | NAM | HAM2 | 147.0° | 53.8° |
| OAD | PAE | OAF | CAG | 163.1° | 165.0° |
| NAM | PAE | OAA | OAF | 119.7° | 120.0° |
| PAE | NAM | HAM1 | HAM2 | 120.0° | 113.8° |
| NAM | PAE | OAF | CAG | 50.4° | 75.0° |
| OAA | PAE | NAM | HAM1 | 151.1° | 180.0° |
| OAA | PAE | NAM | HAM2 | 88.9° | 66.2° |
| OAA | PAE | OAF | CAG | 73.1° | 45.0° |
| OAF | PAE | NAM | HAM1 | 85.5° | 60.0° |
| OAF | PAE | NAM | HAM2 | 34.5° | 173.8° |
| PAE | OAF | CAG | CAH | 130.5° | 120.0° |
| PAE | OAF | CAG | CAN | 117.2° | 122.8° |
| PAE | OAF | CAG | HAG | 7.1° | 1.4° |
| OAF | CAG | CAH | CAN | 114.6° | 119.3° |
| OAF | CAG | CAH | HAG | 121.5° | 121.4° |
| OAF | CAG | CAN | HAG | 121.4° | 121.4° |
| OAF | CAG | CAH | CAI | 76.1° | 119.3° |
| OAF | CAG | CAH | HAH1 | 47.1° | 121.5° |
| OAF | CAG | CAH | HAH2 | 163.9° | 0.1° |
| OAF | CAG | CAN | CAO | 106.7° | 142.9° |
| OAF | CAG | CAN | HAN1 | 131.6° | 24.2° |
| OAF | CAG | CAN | HAN2 | 13.3° | 98.4° |
| CAH | CAG | CAN | HAG | 122.9° | 119.3° |
| CAG | CAH | CAI | HAH1 | 123.2° | 119.3° |
| CAG | CAH | CAI | HAH2 | 120.0° | 119.3° |
| CAG | CAH | HAH1 | HAH2 | 122.5° | 121.4° |
| CAG | CAH | CAI | CAO | 53.0° | 23.6° |
| CAG | CAH | CAI | HAI1 | 70.7° | 142.3° |
| CAG | CAH | CAI | HAI2 | 173.0° | 95.1° |
| CAH | CAG | CAN | CAO | 9.0° | 23.6° |
| CAH | CAG | CAN | HAN1 | 112.7° | 95.1° |
| CAH | CAG | CAN | HAN2 | 129.0° | 142.3° |
| CAN | CAG | CAH | CAI | 38.5° | 0.0° |
| CAN | CAG | CAH | HAH1 | 161.7° | 119.3° |
| CAN | CAG | CAH | HAH2 | 81.5° | 119.3° |
| CAG | CAN | CAO | CAI | 24.0° | 37.9° |
| CAG | CAN | CAO | HAN1 | 121.7° | 118.7° |
| CAG | CAN | CAO | HAN2 | 120.0° | 118.7° |
| CAG | CAN | CAO | HAO1 | 146.5° | 80.4° |
| CAG | CAN | CAO | HAO2 | 96.0° | 156.3° |
| CAG | CAN | HAN1 | HAN2 | 121.2° | 122.6° |
| HAG | CAG | CAH | CAI | 162.4° | 119.3° |
| HAG | CAG | CAH | HAH1 | 74.4° | 0.0° |
| HAG | CAG | CAH | HAH2 | 42.4° | 121.4° |
| HAG | CAG | CAN | CAO | 131.9° | 95.7° |
| HAG | CAG | CAN | HAN1 | 10.2° | 145.6° |
| HAG | CAG | CAN | HAN2 | 108.1° | 23.0° |
| CAI | CAH | HAH1 | HAH2 | 122.4° | 121.4° |
| CAH | CAI | CAO | HAI1 | 123.6° | 118.7° |
| CAH | CAI | CAO | HAI2 | 120.0° | 118.7° |
| CAH | CAI | HAI1 | HAI2 | 122.9° | 122.6° |
| CAH | CAI | CAO | CAN | 47.6° | 37.9° |
| CAH | CAI | CAO | HAO1 | 170.1° | 80.4° |
| CAH | CAI | CAO | HAO2 | 72.4° | 156.2° |
| HAH1 | CAH | CAI | CAO | 176.2° | 95.7° |
| HAH1 | CAH | CAI | HAI1 | 52.6° | 23.0° |
| HAH1 | CAH | CAI | HAI2 | 63.7° | 145.6° |
| HAH2 | CAH | CAI | CAO | 67.0° | 142.9° |
| HAH2 | CAH | CAI | HAI1 | 169.3° | 98.4° |
| HAH2 | CAH | CAI | HAI2 | 53.0° | 24.2° |
| CAO | CAI | HAI1 | HAI2 | 122.9° | 122.6° |
| CAI | CAO | CAN | HAO1 | 122.5° | 118.3° |
| CAI | CAO | CAN | HAO2 | 120.0° | 118.4° |
| CAI | CAO | HAO1 | HAO2 | 121.8° | 123.4° |
| CAI | CAO | CAN | HAN1 | 145.7° | 80.7° |
| CAI | CAO | CAN | HAN2 | 96.0° | 156.6° |
| HAI1 | CAI | CAO | CAN | 76.1° | 156.7° |
| HAI1 | CAI | CAO | HAO1 | 46.5° | 38.3° |
| HAI1 | CAI | CAO | HAO2 | 164.0° | 85.0° |
| HAI2 | CAI | CAO | CAN | 167.6° | 80.8° |
| HAI2 | CAI | CAO | HAO1 | 69.9° | 160.9° |
| HAI2 | CAI | CAO | HAO2 | 47.6° | 37.5° |
| CAN | CAO | HAO1 | HAO2 | 121.8° | 123.3° |
| CAO | CAN | HAN1 | HAN2 | 121.2° | 122.6° |
| HAO1 | CAO | CAN | HAN1 | 91.8° | 160.9° |
| HAO1 | CAO | CAN | HAN2 | 26.5° | 38.3° |
| HAO2 | CAO | CAN | HAN1 | 25.7° | 37.6° |
| HAO2 | CAO | CAN | HAN2 | 144.0° | 85.0° |
