RDT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | OAK | sing | 1.43Å | 1.43Å | |
| CAB | OAL | sing | 1.43Å | 1.42Å | |
| CAC | CAQ | sing | 1.53Å | 1.55Å | |
| NAD | SAS | sing | 1.66Å | 1.62Å | |
| OAE | SAS | doub | 1.42Å | 1.52Å | |
| OAF | SAS | doub | 1.42Å | 1.53Å | |
| CAG | CAM | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | CAN | sing | 1.38Å | 1.37Å | Aromatic |
| CAH | CAO | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | CAP | doub | 1.39Å | 1.40Å | Aromatic |
| CAI | CAJ | sing | 1.53Å | 1.50Å | |
| CAI | CAM | sing | 1.51Å | 1.51Å | |
| CAJ | NAR | sing | 1.47Å | 1.46Å | |
| OAK | CAN | sing | 1.36Å | 1.37Å | |
| OAL | CAO | sing | 1.36Å | 1.36Å | |
| CAM | CAP | sing | 1.38Å | 1.38Å | Aromatic |
| CAN | CAO | doub | 1.39Å | 1.38Å | Aromatic |
| CAP | CAQ | sing | 1.51Å | 1.57Å | |
| CAQ | NAR | sing | 1.47Å | 1.50Å | |
| NAR | SAS | sing | 1.66Å | 1.69Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAC | HACB | sing | 1.09Å | 1.10Å | |
| NAD | HNAD | sing | 0.97Å | 1.00Å | |
| NAD | HNAA | sing | 0.97Å | 1.00Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | OAK | CAN | 117.0° | 117.0° |
| OAK | CAA | HAA | 109.5° | 109.5° |
| OAK | CAA | HAAA | 109.5° | 109.5° |
| OAK | CAA | HAAB | 109.5° | 109.5° |
| CAB | OAL | CAO | 111.1° | 117.0° |
| OAL | CAB | HAB | 109.5° | 109.5° |
| OAL | CAB | HABA | 109.5° | 109.5° |
| OAL | CAB | HABB | 109.5° | 109.5° |
| CAC | CAQ | CAP | 111.5° | 109.4° |
| CAC | CAQ | NAR | 110.6° | 109.4° |
| CAQ | CAC | HAC | 109.5° | 109.5° |
| CAQ | CAC | HACA | 109.4° | 109.4° |
| CAQ | CAC | HACB | 109.5° | 109.5° |
| CAC | CAQ | HAQ | 108.4° | 109.5° |
| NAD | SAS | OAE | 110.8° | 106.4° |
| NAD | SAS | OAF | 104.1° | 106.4° |
| NAD | SAS | NAR | 112.2° | 107.2° |
| SAS | NAD | HNAD | 109.5° | 120.1° |
| SAS | NAD | HNAA | 109.5° | 120.0° |
| OAE | SAS | OAF | 115.5° | 123.2° |
| OAE | SAS | NAR | 106.0° | 106.4° |
| OAF | SAS | NAR | 108.5° | 106.4° |
| CAM | CAG | CAN | 121.9° | 120.6° |
| CAG | CAM | CAI | 116.0° | 117.6° |
| CAG | CAM | CAP | 120.9° | 119.7° |
| CAM | CAG | HAG | 119.0° | 119.7° |
| CAG | CAN | OAK | 116.8° | 120.2° |
| CAG | CAN | CAO | 118.5° | 119.7° |
| CAN | CAG | HAG | 119.1° | 119.7° |
| CAO | CAH | CAP | 120.7° | 120.5° |
| CAH | CAO | OAL | 121.5° | 120.2° |
| CAH | CAO | CAN | 120.2° | 119.6° |
| CAO | CAH | HAH | 119.6° | 119.7° |
| CAH | CAP | CAM | 117.7° | 120.0° |
| CAH | CAP | CAQ | 123.7° | 117.7° |
| CAP | CAH | HAH | 119.6° | 119.8° |
| CAJ | CAI | CAM | 108.7° | 110.9° |
| CAI | CAJ | NAR | 107.7° | 107.9° |
| CAJ | CAI | HAI | 109.7° | 109.3° |
| CAJ | CAI | HAIA | 109.7° | 109.1° |
| CAI | CAJ | HAJ | 110.1° | 109.8° |
| CAI | CAJ | HAJA | 110.1° | 109.8° |
| CAI | CAM | CAP | 123.0° | 122.8° |
| CAM | CAI | HAI | 109.7° | 109.2° |
| CAM | CAI | HAIA | 109.7° | 109.2° |
| CAJ | NAR | CAQ | 112.1° | 117.4° |
| CAJ | NAR | SAS | 105.8° | 121.3° |
| NAR | CAJ | HAJ | 110.1° | 109.7° |
| NAR | CAJ | HAJA | 110.1° | 109.8° |
| OAK | CAN | CAO | 124.7° | 120.2° |
| OAL | CAO | CAN | 118.3° | 120.2° |
| CAM | CAP | CAQ | 118.6° | 122.4° |
| CAP | CAQ | NAR | 112.4° | 109.7° |
| CAP | CAQ | HAQ | 106.4° | 109.4° |
| CAQ | NAR | SAS | 115.7° | 121.3° |
| NAR | CAQ | HAQ | 107.4° | 109.4° |
| HAA | CAA | HAAA | 109.4° | 109.4° |
| HAA | CAA | HAAB | 109.4° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HAB | CAB | HABA | 109.5° | 109.4° |
| HAB | CAB | HABB | 109.5° | 109.4° |
| HABA | CAB | HABB | 109.5° | 109.5° |
| HAC | CAC | HACA | 109.4° | 109.5° |
| HAC | CAC | HACB | 109.5° | 109.5° |
| HACA | CAC | HACB | 109.5° | 109.5° |
| HNAD | NAD | HNAA | 109.5° | 120.0° |
| HAI | CAI | HAIA | 109.2° | 109.2° |
| HAJ | CAJ | HAJA | 108.8° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | OAK | CAN | CAG | 165.5° | 0.0° |
| CAA | OAK | CAN | CAO | 13.5° | 180.0° |
| OAK | CAA | HAA | HAAA | 120.0° | 120.0° |
| OAK | CAA | HAA | HAAB | 120.0° | 120.0° |
| OAK | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAB | OAL | CAO | CAH | 8.9° | 0.1° |
| CAB | OAL | CAO | CAN | 170.0° | 180.0° |
| OAL | CAB | HAB | HABA | 120.0° | 120.0° |
| OAL | CAB | HAB | HABB | 120.0° | 120.0° |
| OAL | CAB | HABA | HABB | 120.0° | 120.1° |
| CAC | CAQ | CAP | CAH | 50.0° | 71.0° |
| CAC | CAQ | NAR | CAJ | 165.8° | 75.6° |
| CAC | CAQ | CAP | CAM | 130.9° | 108.3° |
| CAC | CAQ | CAP | NAR | 124.8° | 120.0° |
| CAC | CAQ | CAP | HAQ | 117.9° | 119.9° |
| CAC | CAQ | NAR | HAQ | 118.0° | 119.9° |
| CAC | CAQ | NAR | SAS | 72.7° | 104.4° |
| CAQ | CAC | HAC | HACA | 120.0° | 120.0° |
| CAQ | CAC | HAC | HACB | 120.0° | 120.0° |
| CAQ | CAC | HACA | HACB | 120.0° | 120.0° |
| NAD | SAS | OAE | OAF | 118.0° | 122.9° |
| NAD | SAS | OAE | NAR | 121.9° | 114.1° |
| NAD | SAS | OAF | NAR | 119.6° | 114.1° |
| NAD | SAS | NAR | CAJ | 9.3° | 90.0° |
| NAD | SAS | NAR | CAQ | 134.1° | 90.1° |
| SAS | NAD | HNAD | HNAA | 120.0° | 180.0° |
| OAE | SAS | OAF | NAR | 118.8° | 123.0° |
| OAE | SAS | NAR | CAJ | 111.7° | 23.5° |
| OAE | SAS | NAR | CAQ | 13.1° | 156.5° |
| OAE | SAS | NAD | HNAD | 180.0° | 113.5° |
| OAE | SAS | NAD | HNAA | 60.0° | 66.5° |
| OAF | SAS | NAR | CAJ | 123.7° | 156.5° |
| OAF | SAS | NAR | CAQ | 111.5° | 23.5° |
| OAF | SAS | NAD | HNAD | 55.3° | 113.5° |
| OAF | SAS | NAD | HNAA | 175.3° | 66.4° |
| CAM | CAG | CAN | HAG | 180.0° | 179.7° |
| CAG | CAM | CAP | CAH | 0.4° | 0.7° |
| CAG | CAM | CAI | CAJ | 152.7° | 160.0° |
| CAG | CAM | CAI | CAP | 179.9° | 179.6° |
| CAM | CAG | CAN | OAK | 179.6° | 179.8° |
| CAM | CAG | CAN | CAO | 0.6° | 0.1° |
| CAG | CAM | CAP | CAQ | 179.5° | 178.7° |
| CAG | CAM | CAI | HAI | 32.7° | 79.6° |
| CAG | CAM | CAI | HAIA | 87.4° | 39.7° |
| CAG | CAN | CAO | CAH | 0.2° | 0.2° |
| CAN | CAG | CAM | CAI | 179.2° | 179.3° |
| CAG | CAN | OAK | CAO | 179.0° | 179.9° |
| CAG | CAN | CAO | OAL | 179.0° | 179.7° |
| CAN | CAG | CAM | CAP | 0.9° | 0.3° |
| CAO | CAH | CAP | HAH | 180.0° | 179.9° |
| CAH | CAO | CAN | OAK | 178.8° | 179.7° |
| CAH | CAO | OAL | CAN | 178.9° | 179.9° |
| CAO | CAH | CAP | CAM | 0.3° | 0.6° |
| CAO | CAH | CAP | CAQ | 178.8° | 178.8° |
| CAH | CAP | CAM | CAI | 179.7° | 178.9° |
| CAP | CAH | CAO | OAL | 179.5° | 179.9° |
| CAH | CAP | CAM | CAQ | 179.1° | 179.3° |
| CAP | CAH | CAO | CAN | 0.6° | 0.2° |
| CAH | CAP | CAQ | NAR | 174.9° | 169.0° |
| CAH | CAP | CAQ | HAQ | 67.9° | 48.9° |
| CAJ | CAI | CAM | HAI | 120.0° | 120.4° |
| CAJ | CAI | CAM | HAIA | 120.0° | 120.3° |
| CAI | CAJ | NAR | HAJ | 120.0° | 119.6° |
| CAI | CAJ | NAR | HAJA | 120.0° | 119.6° |
| CAJ | CAI | CAM | CAP | 27.4° | 20.4° |
| CAI | CAJ | NAR | CAQ | 69.6° | 64.2° |
| CAI | CAJ | NAR | SAS | 163.4° | 115.8° |
| CAJ | CAI | HAI | HAIA | 120.3° | 119.3° |
| CAI | CAJ | HAJ | HAJA | 120.7° | 120.8° |
| CAM | CAI | CAJ | NAR | 60.3° | 47.6° |
| CAI | CAM | CAP | CAQ | 0.6° | 1.7° |
| CAI | CAM | CAG | HAG | 0.8° | 0.4° |
| CAM | CAI | HAI | HAIA | 120.3° | 119.3° |
| CAM | CAI | CAJ | HAJ | 179.6° | 72.0° |
| CAM | CAI | CAJ | HAJA | 59.7° | 167.1° |
| CAJ | NAR | CAQ | CAP | 40.5° | 44.4° |
| CAJ | NAR | CAQ | SAS | 121.4° | 180.0° |
| NAR | CAJ | CAI | HAI | 179.7° | 72.9° |
| NAR | CAJ | CAI | HAIA | 59.6° | 167.8° |
| NAR | CAJ | HAJ | HAJA | 120.7° | 120.8° |
| CAJ | NAR | CAQ | HAQ | 76.1° | 164.5° |
| OAK | CAN | CAO | OAL | 0.1° | 0.4° |
| CAN | OAK | CAA | HAA | 180.0° | 60.0° |
| CAN | OAK | CAA | HAAA | 60.0° | 60.0° |
| CAN | OAK | CAA | HAAB | 60.0° | 180.0° |
| OAK | CAN | CAG | HAG | 0.4° | 0.5° |
| CAO | OAL | CAB | HAB | 180.0° | 60.0° |
| CAO | OAL | CAB | HABA | 60.0° | 180.0° |
| CAO | OAL | CAB | HABB | 60.0° | 59.9° |
| OAL | CAO | CAH | HAH | 0.5° | 0.1° |
| CAM | CAP | CAQ | NAR | 6.1° | 11.7° |
| CAP | CAM | CAG | HAG | 179.1° | 180.0° |
| CAM | CAP | CAH | HAH | 179.7° | 179.5° |
| CAP | CAM | CAI | HAI | 147.4° | 100.0° |
| CAP | CAM | CAI | HAIA | 92.5° | 140.7° |
| CAM | CAP | CAQ | HAQ | 111.2° | 131.7° |
| CAO | CAN | CAG | HAG | 179.5° | 179.6° |
| CAN | CAO | CAH | HAH | 179.4° | 180.0° |
| CAP | CAQ | NAR | HAQ | 116.7° | 120.0° |
| CAP | CAQ | NAR | SAS | 162.0° | 135.6° |
| CAP | CAQ | CAC | HAC | 180.0° | 60.0° |
| CAP | CAQ | CAC | HACA | 60.0° | 180.0° |
| CAP | CAQ | CAC | HACB | 60.0° | 60.1° |
| CAQ | CAP | CAH | HAH | 1.2° | 1.1° |
| NAR | CAQ | CAC | HAC | 54.2° | 60.2° |
| NAR | CAQ | CAC | HACA | 174.2° | 59.8° |
| NAR | CAQ | CAC | HACB | 65.8° | 179.8° |
| CAQ | NAR | CAJ | HAJ | 170.4° | 55.4° |
| CAQ | NAR | CAJ | HAJA | 50.4° | 176.2° |
| NAR | SAS | NAD | HNAD | 61.8° | 0.0° |
| NAR | SAS | NAD | HNAA | 58.2° | 180.0° |
| SAS | NAR | CAJ | HAJ | 43.4° | 124.6° |
| SAS | NAR | CAJ | HAJA | 76.5° | 3.8° |
| SAS | NAR | CAQ | HAQ | 45.3° | 15.6° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAB | CAB | HABA | HABB | 120.0° | 119.9° |
| HAC | CAC | HACA | HACB | 120.0° | 120.0° |
| HAC | CAC | CAQ | HAQ | 63.2° | 179.9° |
| HACA | CAC | CAQ | HAQ | 56.7° | 60.1° |
| HACB | CAC | CAQ | HAQ | 176.8° | 59.9° |
| HAI | CAI | CAJ | HAJ | 59.6° | 167.6° |
| HAI | CAI | CAJ | HAJA | 60.3° | 46.7° |
| HAIA | CAI | CAJ | HAJ | 60.4° | 48.3° |
| HAIA | CAI | CAJ | HAJA | 179.7° | 72.6° |
