DR8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAJ | CAI | sing | 1.47Å | 1.46Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ3 | sing | 1.09Å | 1.10Å | |
| CAI | CAH | trip | 1.17Å | 1.28Å | |
| CAH | CAG | sing | 1.38Å | 1.37Å | |
| CAG | CAF | trip | 1.17Å | 1.15Å | |
| CAF | CAE | sing | 1.38Å | 1.34Å | |
| CAE | CAD | trip | 1.17Å | 1.18Å | |
| CAD | NAC | sing | 1.43Å | 1.32Å | |
| NAC | CAK | sing | 1.47Å | 1.49Å | |
| NAC | CAA | sing | 1.47Å | 1.48Å | |
| NAC | CAB | sing | 1.47Å | 1.49Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| CAK | HAK3 | sing | 1.09Å | 1.10Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| CAB | HAB3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAJ | HAJ1 | 109.4° | 109.4° |
| CAI | CAJ | HAJ2 | 109.5° | 109.5° |
| CAI | CAJ | HAJ3 | 109.5° | 109.5° |
| CAJ | CAI | CAH | 177.7° | 180.0° |
| HAJ1 | CAJ | HAJ2 | 109.5° | 109.5° |
| HAJ1 | CAJ | HAJ3 | 109.5° | 109.5° |
| HAJ2 | CAJ | HAJ3 | 109.4° | 109.5° |
| CAI | CAH | CAG | 178.9° | 180.0° |
| CAH | CAG | CAF | 179.6° | 180.0° |
| CAG | CAF | CAE | 177.7° | 180.0° |
| CAF | CAE | CAD | 178.9° | 180.0° |
| CAE | CAD | NAC | 172.5° | 180.0° |
| CAD | NAC | CAK | 99.3° | 109.5° |
| CAD | NAC | CAA | 115.6° | 109.5° |
| CAD | NAC | CAB | 107.6° | 109.5° |
| CAK | NAC | CAA | 111.9° | 109.5° |
| CAK | NAC | CAB | 111.5° | 109.5° |
| NAC | CAK | HAK1 | 109.4° | 109.4° |
| NAC | CAK | HAK2 | 109.5° | 109.5° |
| NAC | CAK | HAK3 | 109.5° | 109.4° |
| CAA | NAC | CAB | 110.5° | 109.5° |
| NAC | CAA | HAA1 | 109.5° | 109.5° |
| NAC | CAA | HAA2 | 109.4° | 109.5° |
| NAC | CAA | HAA3 | 109.5° | 109.5° |
| NAC | CAB | HAB1 | 109.5° | 109.4° |
| NAC | CAB | HAB2 | 109.5° | 109.5° |
| NAC | CAB | HAB3 | 109.5° | 109.4° |
| HAK1 | CAK | HAK2 | 109.5° | 109.5° |
| HAK1 | CAK | HAK3 | 109.5° | 109.5° |
| HAK2 | CAK | HAK3 | 109.4° | 109.5° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.4° |
| HAA2 | CAA | HAA3 | 109.4° | 109.5° |
| HAB1 | CAB | HAB2 | 109.5° | 109.5° |
| HAB1 | CAB | HAB3 | 109.5° | 109.5° |
| HAB2 | CAB | HAB3 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAJ | HAJ1 | HAJ2 | 120.0° | 120.0° |
| CAI | CAJ | HAJ1 | HAJ3 | 120.0° | 120.0° |
| CAI | CAJ | HAJ2 | HAJ3 | 120.0° | 120.0° |
| CAJ | CAI | CAH | CAG | 78.6° | 90.0° |
| HAJ1 | CAJ | HAJ2 | HAJ3 | 120.0° | 120.0° |
| HAJ1 | CAJ | CAI | CAH | 63.3° | 90.0° |
| HAJ2 | CAJ | CAI | CAH | 176.7° | 90.0° |
| HAJ3 | CAJ | CAI | CAH | 56.7° | 90.0° |
| CAI | CAH | CAG | CAF | 114.4° | 90.0° |
| CAH | CAG | CAF | CAE | 57.1° | 90.0° |
| CAG | CAF | CAE | CAD | 50.5° | 90.0° |
| CAF | CAE | CAD | NAC | 123.4° | 90.0° |
| CAE | CAD | NAC | CAK | 24.0° | 90.0° |
| CAE | CAD | NAC | CAA | 143.8° | 90.0° |
| CAE | CAD | NAC | CAB | 92.2° | 90.0° |
| CAD | NAC | CAK | CAA | 122.6° | 120.0° |
| CAD | NAC | CAK | CAB | 113.1° | 120.0° |
| CAD | NAC | CAA | CAB | 122.4° | 120.0° |
| CAD | NAC | CAK | HAK1 | 173.9° | 60.0° |
| CAD | NAC | CAK | HAK2 | 66.1° | 180.0° |
| CAD | NAC | CAK | HAK3 | 53.9° | 60.0° |
| CAD | NAC | CAA | HAA1 | 92.8° | 60.0° |
| CAD | NAC | CAA | HAA2 | 27.2° | 180.0° |
| CAD | NAC | CAA | HAA3 | 147.2° | 60.0° |
| CAD | NAC | CAB | HAB1 | 80.6° | 60.0° |
| CAD | NAC | CAB | HAB2 | 159.3° | 180.0° |
| CAD | NAC | CAB | HAB3 | 39.4° | 60.0° |
| CAK | NAC | CAA | CAB | 124.8° | 120.0° |
| NAC | CAK | HAK1 | HAK2 | 120.0° | 120.0° |
| NAC | CAK | HAK1 | HAK3 | 120.0° | 119.9° |
| NAC | CAK | HAK2 | HAK3 | 120.0° | 120.0° |
| CAK | NAC | CAA | HAA1 | 154.5° | 180.0° |
| CAK | NAC | CAA | HAA2 | 85.5° | 60.0° |
| CAK | NAC | CAA | HAA3 | 34.5° | 60.1° |
| CAK | NAC | CAB | HAB1 | 171.5° | 60.0° |
| CAK | NAC | CAB | HAB2 | 51.5° | 60.0° |
| CAK | NAC | CAB | HAB3 | 68.5° | 180.0° |
| CAA | NAC | CAK | HAK1 | 63.6° | 60.0° |
| CAA | NAC | CAK | HAK2 | 56.5° | 60.0° |
| CAA | NAC | CAK | HAK3 | 176.4° | 180.0° |
| NAC | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| NAC | CAA | HAA1 | HAA3 | 120.0° | 119.9° |
| NAC | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| CAA | NAC | CAB | HAB1 | 46.4° | 180.0° |
| CAA | NAC | CAB | HAB2 | 73.6° | 60.0° |
| CAA | NAC | CAB | HAB3 | 166.4° | 60.1° |
| CAB | NAC | CAK | HAK1 | 60.7° | 180.0° |
| CAB | NAC | CAK | HAK2 | 179.2° | 60.0° |
| CAB | NAC | CAK | HAK3 | 59.3° | 60.0° |
| CAB | NAC | CAA | HAA1 | 29.6° | 60.0° |
| CAB | NAC | CAA | HAA2 | 149.7° | 60.0° |
| CAB | NAC | CAA | HAA3 | 90.4° | 180.0° |
| NAC | CAB | HAB1 | HAB2 | 120.0° | 120.0° |
| NAC | CAB | HAB1 | HAB3 | 120.0° | 119.9° |
| NAC | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| HAK1 | CAK | HAK2 | HAK3 | 120.0° | 120.0° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAB1 | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
