RVD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAK | sing | 1.53Å | 1.51Å | |
| OAB | CAM | doub | 1.22Å | 1.21Å | |
| OAC | CAN | sing | 1.35Å | 1.30Å | |
| OAD | CAM | sing | 1.35Å | 1.25Å | |
| OAE | CAN | doub | 1.22Å | 1.23Å | |
| OAF | CAP | sing | 1.36Å | 1.33Å | |
| CAG | CAK | sing | 1.51Å | 1.38Å | |
| CAG | CAO | doub | 1.33Å | 1.38Å | |
| CAH | CAI | doub | 1.38Å | 1.42Å | Aromatic |
| CAH | CAJ | sing | 1.38Å | 1.42Å | Aromatic |
| CAI | CAQ | sing | 1.38Å | 1.41Å | Aromatic |
| CAJ | CAR | doub | 1.40Å | 1.43Å | Aromatic |
| OAL | CAO | sing | 1.36Å | 1.32Å | |
| OAL | CAQ | sing | 1.36Å | 1.32Å | |
| CAM | CAO | sing | 1.47Å | 1.57Å | |
| CAN | CAR | sing | 1.47Å | 1.52Å | |
| CAP | CAQ | doub | 1.39Å | 1.42Å | Aromatic |
| CAP | CAR | sing | 1.40Å | 1.41Å | Aromatic |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| OAF | HOAF | sing | 0.97Å | 0.95Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAK | CAG | 104.2° | 109.4° |
| CAK | CAA | HAA | 109.5° | 109.4° |
| CAK | CAA | HAAA | 109.5° | 109.5° |
| CAK | CAA | HAAB | 109.5° | 109.5° |
| CAA | CAK | HAK | 111.3° | 109.5° |
| CAA | CAK | HAKA | 111.3° | 109.5° |
| OAB | CAM | OAD | 120.8° | 120.0° |
| OAB | CAM | CAO | 114.0° | 120.0° |
| OAC | CAN | OAE | 124.4° | 120.0° |
| OAC | CAN | CAR | 122.0° | 120.0° |
| CAN | OAC | HOAC | 109.5° | 117.0° |
| OAD | CAM | CAO | 125.1° | 120.0° |
| CAM | OAD | HOAD | 109.5° | 117.0° |
| OAE | CAN | CAR | 113.5° | 120.0° |
| OAF | CAP | CAQ | 119.2° | 120.2° |
| OAF | CAP | CAR | 119.8° | 120.1° |
| CAP | OAF | HOAF | 109.5° | 114.0° |
| CAK | CAG | CAO | 124.4° | 120.0° |
| CAK | CAG | HAG | 117.8° | 120.0° |
| CAG | CAK | HAK | 111.3° | 109.5° |
| CAG | CAK | HAKA | 111.2° | 109.5° |
| CAG | CAO | OAL | 115.5° | 120.0° |
| CAG | CAO | CAM | 124.2° | 119.9° |
| CAO | CAG | HAG | 117.8° | 120.1° |
| CAI | CAH | CAJ | 119.0° | 120.4° |
| CAH | CAI | CAQ | 119.3° | 120.4° |
| CAI | CAH | HAH | 120.5° | 119.8° |
| CAH | CAI | HAI | 120.4° | 119.8° |
| CAH | CAJ | CAR | 122.0° | 120.0° |
| CAJ | CAH | HAH | 120.5° | 119.8° |
| CAH | CAJ | HAJ | 119.0° | 120.0° |
| CAI | CAQ | OAL | 125.4° | 120.0° |
| CAI | CAQ | CAP | 121.2° | 119.9° |
| CAQ | CAI | HAI | 120.4° | 119.8° |
| CAJ | CAR | CAN | 122.4° | 120.1° |
| CAJ | CAR | CAP | 117.5° | 119.7° |
| CAR | CAJ | HAJ | 119.0° | 120.0° |
| CAO | OAL | CAQ | 123.4° | 118.0° |
| OAL | CAO | CAM | 120.2° | 120.0° |
| OAL | CAQ | CAP | 113.4° | 120.0° |
| CAN | CAR | CAP | 120.2° | 120.2° |
| CAQ | CAP | CAR | 121.0° | 119.7° |
| HAA | CAA | HAAA | 109.4° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| HAK | CAK | HAKA | 107.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAK | CAG | HAK | 120.0° | 120.0° |
| CAA | CAK | CAG | HAKA | 120.0° | 120.0° |
| CAA | CAK | CAG | CAO | 120.7° | 122.7° |
| CAK | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAK | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAK | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | CAK | CAG | HAG | 59.3° | 57.4° |
| CAA | CAK | HAK | HAKA | 122.1° | 120.0° |
| OAB | CAM | OAD | CAO | 178.6° | 180.0° |
| OAB | CAM | CAO | CAG | 141.0° | 180.0° |
| OAB | CAM | CAO | OAL | 37.6° | 0.0° |
| OAB | CAM | OAD | HOAD | 0.0° | 0.0° |
| OAC | CAN | OAE | CAR | 179.4° | 180.0° |
| OAC | CAN | CAR | CAJ | 179.8° | 0.1° |
| OAC | CAN | CAR | CAP | 0.9° | 180.0° |
| OAD | CAM | CAO | CAG | 37.7° | 0.0° |
| OAD | CAM | CAO | OAL | 143.7° | 180.0° |
| OAE | CAN | CAR | CAJ | 0.8° | 179.9° |
| OAE | CAN | CAR | CAP | 178.4° | 0.0° |
| OAE | CAN | OAC | HOAC | 0.0° | 0.0° |
| OAF | CAP | CAQ | CAI | 179.7° | 180.0° |
| OAF | CAP | CAR | CAJ | 179.8° | 180.0° |
| OAF | CAP | CAQ | OAL | 1.4° | 0.0° |
| OAF | CAP | CAR | CAN | 0.9° | 0.0° |
| OAF | CAP | CAQ | CAR | 178.9° | 180.0° |
| CAK | CAG | CAO | HAG | 180.0° | 180.0° |
| CAK | CAG | CAO | OAL | 0.1° | 5.9° |
| CAK | CAG | CAO | CAM | 178.8° | 174.1° |
| CAG | CAK | CAA | HAA | 180.0° | 175.1° |
| CAG | CAK | CAA | HAAA | 60.0° | 64.9° |
| CAG | CAK | CAA | HAAB | 60.0° | 55.2° |
| CAG | CAK | HAK | HAKA | 122.1° | 120.0° |
| CAG | CAO | OAL | CAM | 178.8° | 180.0° |
| CAG | CAO | OAL | CAQ | 117.4° | 111.1° |
| CAO | CAG | CAK | HAK | 0.7° | 2.7° |
| CAO | CAG | CAK | HAKA | 119.3° | 117.3° |
| CAI | CAH | CAJ | HAH | 180.0° | 179.6° |
| CAH | CAI | CAQ | HAI | 180.0° | 179.9° |
| CAI | CAH | CAJ | CAR | 0.3° | 0.0° |
| CAH | CAI | CAQ | OAL | 179.0° | 180.0° |
| CAH | CAI | CAQ | CAP | 1.0° | 0.1° |
| CAI | CAH | CAJ | HAJ | 179.7° | 179.9° |
| CAJ | CAH | CAI | CAQ | 0.4° | 0.1° |
| CAH | CAJ | CAR | HAJ | 180.0° | 180.0° |
| CAH | CAJ | CAR | CAN | 178.5° | 180.0° |
| CAH | CAJ | CAR | CAP | 0.8° | 0.0° |
| CAJ | CAH | CAI | HAI | 179.6° | 180.0° |
| CAI | CAQ | OAL | CAO | 33.6° | 5.8° |
| CAI | CAQ | OAL | CAP | 178.1° | 180.0° |
| CAI | CAQ | CAP | CAR | 1.5° | 0.0° |
| CAQ | CAI | CAH | HAH | 179.6° | 179.7° |
| CAJ | CAR | CAN | CAP | 179.2° | 180.0° |
| CAJ | CAR | CAP | CAQ | 1.3° | 0.1° |
| CAR | CAJ | CAH | HAH | 179.7° | 179.7° |
| CAO | OAL | CAQ | CAP | 148.3° | 174.2° |
| OAL | CAO | CAG | HAG | 179.9° | 174.1° |
| CAQ | OAL | CAO | CAM | 63.9° | 68.9° |
| OAL | CAQ | CAP | CAR | 179.7° | 180.0° |
| OAL | CAQ | CAI | HAI | 1.0° | 0.1° |
| CAO | CAM | OAD | HOAD | 178.6° | 180.0° |
| CAM | CAO | CAG | HAG | 1.2° | 5.9° |
| CAN | CAR | CAP | CAQ | 178.0° | 180.0° |
| CAR | CAN | OAC | HOAC | 179.3° | 180.0° |
| CAN | CAR | CAJ | HAJ | 1.5° | 0.0° |
| CAQ | CAP | OAF | HOAF | 180.0° | 90.0° |
| CAP | CAQ | CAI | HAI | 179.0° | 180.0° |
| CAR | CAP | OAF | HOAF | 1.1° | 90.0° |
| CAP | CAR | CAJ | HAJ | 179.2° | 180.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | CAK | HAK | 60.0° | 64.9° |
| HAA | CAA | CAK | HAKA | 60.0° | 55.2° |
| HAAA | CAA | CAK | HAK | 60.0° | 55.1° |
| HAAA | CAA | CAK | HAKA | 180.0° | 175.1° |
| HAAB | CAA | CAK | HAK | 180.0° | 175.1° |
| HAAB | CAA | CAK | HAKA | 59.9° | 64.8° |
| HAG | CAG | CAK | HAK | 179.3° | 177.3° |
| HAG | CAG | CAK | HAKA | 60.7° | 62.6° |
| HAH | CAH | CAI | HAI | 0.4° | 0.4° |
| HAH | CAH | CAJ | HAJ | 0.3° | 0.3° |
