D2X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAJ | PAW | sing | 1.61Å | 1.61Å | |
| OAJ | HOAJ | sing | 0.97Å | 0.95Å | |
| PAW | OAZ | sing | 1.61Å | 1.61Å | |
| OAZ | HOAZ | sing | 0.97Å | 0.95Å | |
| OAX | PAW | doub | 1.48Å | 1.48Å | |
| OAV | PAW | sing | 1.61Å | 1.61Å | |
| PAU | OAV | sing | 1.61Å | 1.61Å | |
| PAU | OAI | sing | 1.61Å | 1.61Å | |
| OAI | HOAI | sing | 0.97Å | 0.95Å | |
| OAY | PAU | doub | 1.48Å | 1.48Å | |
| OAT | PAU | sing | 1.61Å | 1.61Å | |
| OAT | CAS | sing | 1.43Å | 1.43Å | |
| CAS | CAR | sing | 1.53Å | 1.53Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| CAS | HASA | sing | 1.09Å | 1.10Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAR | HARA | sing | 1.09Å | 1.10Å | |
| CAQ | CAR | sing | 1.51Å | 1.53Å | |
| CAQ | SAP | sing | 1.76Å | 1.74Å | Aromatic |
| CAH | CAQ | doub | 1.34Å | 1.39Å | Aromatic |
| CAB | CAH | sing | 1.51Å | 1.53Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CAO | SAP | sing | 1.71Å | 1.74Å | Aromatic |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| NAG | CAH | sing | 1.32Å | 1.33Å | Aromatic |
| NAG | CAO | doub | 1.29Å | 1.34Å | Aromatic |
| CAF | NAG | sing | 1.46Å | 1.47Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAF | HAFA | sing | 1.09Å | 1.10Å | |
| CAE | CAF | sing | 1.51Å | 1.53Å | |
| CAE | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| NAM | CAN | sing | 1.32Å | 1.32Å | Aromatic |
| CAL | NAM | doub | 1.32Å | 1.34Å | Aromatic |
| CAK | CAL | sing | 1.51Å | 1.53Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| CAK | HAKB | sing | 1.09Å | 1.10Å | |
| NAC | CAL | sing | 1.32Å | 1.40Å | Aromatic |
| NAC | CAD | doub | 1.33Å | 1.40Å | Aromatic |
| CAD | CAE | sing | 1.39Å | 1.39Å | Aromatic |
| OAA | CAD | sing | 1.35Å | 1.23Å | |
| OAA | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| PAW | OAJ | HOAJ | 109.5° | 114.0° |
| OAJ | PAW | OAZ | 105.8° | 109.5° |
| OAJ | PAW | OAX | 112.9° | 109.5° |
| OAJ | PAW | OAV | 105.5° | 109.5° |
| PAW | OAZ | HOAZ | 109.5° | 114.0° |
| OAZ | PAW | OAX | 112.7° | 109.5° |
| OAZ | PAW | OAV | 106.7° | 109.5° |
| OAX | PAW | OAV | 112.6° | 109.4° |
| PAW | OAV | PAU | 120.2° | 134.0° |
| OAV | PAU | OAI | 105.4° | 109.5° |
| OAV | PAU | OAY | 112.5° | 109.5° |
| OAV | PAU | OAT | 106.5° | 109.5° |
| PAU | OAI | HOAI | 109.5° | 114.0° |
| OAI | PAU | OAY | 113.1° | 109.4° |
| OAI | PAU | OAT | 106.0° | 109.5° |
| OAY | PAU | OAT | 112.7° | 109.4° |
| PAU | OAT | CAS | 120.7° | 123.0° |
| OAT | CAS | CAR | 110.6° | 109.5° |
| OAT | CAS | HAS | 109.1° | 109.5° |
| OAT | CAS | HASA | 108.8° | 109.5° |
| CAR | CAS | HAS | 109.1° | 109.5° |
| CAR | CAS | HASA | 108.8° | 109.5° |
| CAS | CAR | HAR | 108.8° | 109.5° |
| CAS | CAR | HARA | 108.4° | 109.4° |
| CAS | CAR | CAQ | 111.4° | 109.5° |
| HAS | CAS | HASA | 110.4° | 109.4° |
| HAR | CAR | HARA | 111.0° | 109.5° |
| HAR | CAR | CAQ | 108.8° | 109.5° |
| HARA | CAR | CAQ | 108.4° | 109.4° |
| CAR | CAQ | SAP | 123.4° | 126.1° |
| CAR | CAQ | CAH | 130.4° | 126.0° |
| SAP | CAQ | CAH | 106.2° | 107.9° |
| CAQ | SAP | CAO | 93.7° | 90.3° |
| CAQ | CAH | CAB | 122.7° | 122.8° |
| CAQ | CAH | NAG | 115.5° | 114.5° |
| CAH | CAB | HAB | 109.5° | 109.5° |
| CAH | CAB | HABA | 109.5° | 109.5° |
| CAH | CAB | HABB | 109.4° | 109.5° |
| CAB | CAH | NAG | 121.9° | 122.8° |
| HAB | CAB | HABA | 109.4° | 109.5° |
| HAB | CAB | HABB | 109.5° | 109.4° |
| HABA | CAB | HABB | 109.5° | 109.4° |
| SAP | CAO | HAO | 126.3° | 125.0° |
| SAP | CAO | NAG | 107.4° | 110.2° |
| HAO | CAO | NAG | 126.3° | 124.9° |
| CAH | NAG | CAO | 117.2° | 117.1° |
| CAH | NAG | CAF | 121.4° | 121.4° |
| CAO | NAG | CAF | 121.3° | 121.5° |
| NAG | CAF | HAF | 109.2° | 109.4° |
| NAG | CAF | HAFA | 109.0° | 109.4° |
| NAG | CAF | CAE | 110.3° | 109.4° |
| HAF | CAF | HAFA | 110.1° | 109.5° |
| HAF | CAF | CAE | 109.2° | 109.5° |
| HAFA | CAF | CAE | 109.0° | 109.5° |
| CAF | CAE | CAN | 119.0° | 120.8° |
| CAF | CAE | CAD | 122.8° | 120.8° |
| CAE | CAN | HAN | 119.1° | 120.4° |
| CAE | CAN | NAM | 121.7° | 119.2° |
| CAN | CAE | CAD | 118.2° | 118.4° |
| HAN | CAN | NAM | 119.2° | 120.4° |
| CAN | NAM | CAL | 121.7° | 121.0° |
| NAM | CAL | CAK | 120.2° | 119.1° |
| NAM | CAL | NAC | 120.1° | 121.8° |
| CAL | CAK | HAK | 109.5° | 109.4° |
| CAL | CAK | HAKA | 109.5° | 109.5° |
| CAL | CAK | HAKB | 109.5° | 109.5° |
| CAK | CAL | NAC | 119.7° | 119.1° |
| HAK | CAK | HAKA | 109.4° | 109.5° |
| HAK | CAK | HAKB | 109.4° | 109.5° |
| HAKA | CAK | HAKB | 109.5° | 109.5° |
| CAL | NAC | CAD | 118.7° | 120.7° |
| NAC | CAD | CAE | 119.6° | 119.0° |
| NAC | CAD | OAA | 120.8° | 120.5° |
| CAE | CAD | OAA | 119.6° | 120.6° |
| CAD | OAA | H19 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAJ | PAW | OAZ | OAX | 123.8° | 120.0° |
| OAJ | PAW | OAZ | OAV | 112.1° | 120.0° |
| OAJ | PAW | OAZ | HOAZ | 111.9° | 60.0° |
| OAJ | PAW | OAX | OAV | 119.4° | 120.0° |
| OAJ | PAW | OAV | PAU | 125.5° | 160.0° |
| HOAJ | OAJ | PAW | OAZ | 179.7° | 60.0° |
| HOAJ | OAJ | PAW | OAX | 56.0° | 60.0° |
| HOAJ | OAJ | PAW | OAV | 67.4° | 180.0° |
| OAZ | PAW | OAX | OAV | 120.8° | 120.0° |
| OAZ | PAW | OAV | PAU | 122.2° | 80.0° |
| HOAZ | OAZ | PAW | OAX | 11.9° | 180.0° |
| HOAZ | OAZ | PAW | OAV | 136.0° | 60.0° |
| OAX | PAW | OAV | PAU | 1.9° | 40.0° |
| PAW | OAV | PAU | OAI | 139.8° | 75.0° |
| PAW | OAV | PAU | OAY | 16.1° | 45.0° |
| PAW | OAV | PAU | OAT | 107.8° | 165.0° |
| OAV | PAU | OAI | OAY | 123.3° | 120.0° |
| OAV | PAU | OAI | OAT | 112.7° | 120.0° |
| OAV | PAU | OAI | HOAI | 21.4° | 60.0° |
| OAV | PAU | OAY | OAT | 120.4° | 120.0° |
| OAV | PAU | OAT | CAS | 52.4° | 175.0° |
| OAI | PAU | OAY | OAT | 120.3° | 120.0° |
| OAI | PAU | OAT | CAS | 59.5° | 64.9° |
| HOAI | OAI | PAU | OAY | 101.9° | 180.0° |
| HOAI | OAI | PAU | OAT | 134.1° | 60.0° |
| OAY | PAU | OAT | CAS | 176.2° | 55.0° |
| PAU | OAT | CAS | CAR | 69.3° | 180.0° |
| PAU | OAT | CAS | HAS | 170.7° | 59.9° |
| PAU | OAT | CAS | HASA | 50.2° | 60.0° |
| OAT | CAS | CAR | HAS | 120.0° | 120.0° |
| OAT | CAS | CAR | HASA | 119.5° | 120.0° |
| OAT | CAS | HAS | HASA | 119.5° | 119.9° |
| OAT | CAS | CAR | HAR | 178.8° | 59.9° |
| OAT | CAS | CAR | HARA | 58.0° | 60.0° |
| OAT | CAS | CAR | CAQ | 61.2° | 180.0° |
| CAR | CAS | HAS | HASA | 119.5° | 120.0° |
| CAS | CAR | HAR | HARA | 119.2° | 120.0° |
| CAS | CAR | HAR | CAQ | 121.6° | 120.1° |
| CAS | CAR | HARA | CAQ | 121.0° | 120.0° |
| CAS | CAR | CAQ | SAP | 118.4° | 90.0° |
| CAS | CAR | CAQ | CAH | 61.1° | 90.3° |
| HAS | CAS | CAR | HAR | 61.2° | 180.0° |
| HAS | CAS | CAR | HARA | 178.0° | 60.0° |
| HAS | CAS | CAR | CAQ | 58.8° | 60.0° |
| HASA | CAS | CAR | HAR | 59.3° | 60.1° |
| HASA | CAS | CAR | HARA | 61.5° | 180.0° |
| HASA | CAS | CAR | CAQ | 179.3° | 60.0° |
| HAR | CAR | HARA | CAQ | 119.5° | 120.0° |
| HAR | CAR | CAQ | SAP | 121.6° | 150.0° |
| HAR | CAR | CAQ | CAH | 58.9° | 29.7° |
| HARA | CAR | CAQ | SAP | 0.8° | 30.0° |
| HARA | CAR | CAQ | CAH | 179.8° | 149.7° |
| CAR | CAQ | SAP | CAH | 179.6° | 179.7° |
| CAR | CAQ | CAH | CAB | 0.5° | 0.0° |
| CAR | CAQ | SAP | CAO | 179.8° | 180.0° |
| CAR | CAQ | CAH | NAG | 179.7° | 180.0° |
| SAP | CAQ | CAH | CAB | 180.0° | 179.7° |
| CAQ | SAP | CAO | HAO | 179.7° | 180.0° |
| SAP | CAQ | CAH | NAG | 0.8° | 0.3° |
| CAQ | SAP | CAO | NAG | 0.3° | 0.2° |
| CAQ | CAH | CAB | NAG | 179.2° | 180.0° |
| CAQ | CAH | CAB | HAB | 178.8° | 90.0° |
| CAQ | CAH | CAB | HABA | 61.2° | 150.0° |
| CAQ | CAH | CAB | HABB | 58.8° | 30.0° |
| CAH | CAQ | SAP | CAO | 0.6° | 0.3° |
| CAQ | CAH | NAG | CAO | 0.6° | 0.1° |
| CAQ | CAH | NAG | CAF | 179.6° | 180.0° |
| CAH | CAB | HAB | HABA | 120.0° | 120.0° |
| CAH | CAB | HAB | HABB | 120.0° | 120.0° |
| CAH | CAB | HABA | HABB | 120.0° | 120.0° |
| CAB | CAH | NAG | CAO | 179.8° | 179.9° |
| CAB | CAH | NAG | CAF | 1.2° | 0.0° |
| HAB | CAB | HABA | HABB | 120.0° | 119.9° |
| HAB | CAB | CAH | NAG | 0.3° | 90.0° |
| HABA | CAB | CAH | NAG | 119.7° | 30.0° |
| HABB | CAB | CAH | NAG | 120.3° | 150.0° |
| SAP | CAO | HAO | NAG | 180.0° | 179.7° |
| SAP | CAO | NAG | CAH | 0.1° | 0.1° |
| SAP | CAO | NAG | CAF | 179.1° | 179.8° |
| HAO | CAO | NAG | CAH | 179.9° | 179.9° |
| HAO | CAO | NAG | CAF | 0.9° | 0.0° |
| CAH | NAG | CAO | CAF | 179.1° | 179.9° |
| CAH | NAG | CAF | HAF | 152.8° | 155.0° |
| CAH | NAG | CAF | HAFA | 32.5° | 35.0° |
| CAH | NAG | CAF | CAE | 87.1° | 85.0° |
| CAO | NAG | CAF | HAF | 26.2° | 25.1° |
| CAO | NAG | CAF | HAFA | 146.5° | 145.1° |
| CAO | NAG | CAF | CAE | 93.9° | 94.9° |
| NAG | CAF | HAF | HAFA | 119.7° | 120.0° |
| NAG | CAF | HAF | CAE | 120.7° | 120.0° |
| NAG | CAF | HAFA | CAE | 120.5° | 120.0° |
| NAG | CAF | CAE | CAN | 1.1° | 95.1° |
| NAG | CAF | CAE | CAD | 178.3° | 84.8° |
| HAF | CAF | HAFA | CAE | 119.8° | 120.0° |
| HAF | CAF | CAE | CAN | 119.0° | 145.0° |
| HAF | CAF | CAE | CAD | 61.6° | 35.2° |
| HAFA | CAF | CAE | CAN | 120.7° | 24.9° |
| HAFA | CAF | CAE | CAD | 58.7° | 155.3° |
| CAF | CAE | CAN | CAD | 179.4° | 179.8° |
| CAF | CAE | CAN | HAN | 0.6° | 0.1° |
| CAF | CAE | CAN | NAM | 179.4° | 180.0° |
| CAF | CAE | CAD | NAC | 179.2° | 179.8° |
| CAF | CAE | CAD | OAA | 1.7° | 0.2° |
| CAE | CAN | HAN | NAM | 180.0° | 179.9° |
| CAE | CAN | NAM | CAL | 0.2° | 0.1° |
| CAN | CAE | CAD | NAC | 0.2° | 0.4° |
| CAN | CAE | CAD | OAA | 178.9° | 180.0° |
| HAN | CAN | NAM | CAL | 179.8° | 180.0° |
| HAN | CAN | CAE | CAD | 180.0° | 179.8° |
| CAN | NAM | CAL | CAK | 179.8° | 179.9° |
| CAN | NAM | CAL | NAC | 0.2° | 0.0° |
| NAM | CAN | CAE | CAD | 0.0° | 0.1° |
| NAM | CAL | CAK | NAC | 180.0° | 180.0° |
| NAM | CAL | CAK | HAK | 2.3° | 90.0° |
| NAM | CAL | CAK | HAKA | 117.6° | 150.0° |
| NAM | CAL | CAK | HAKB | 122.3° | 29.9° |
| NAM | CAL | NAC | CAD | 0.0° | 0.3° |
| CAL | CAK | HAK | HAKA | 120.0° | 120.0° |
| CAL | CAK | HAK | HAKB | 120.0° | 120.0° |
| CAL | CAK | HAKA | HAKB | 120.0° | 120.1° |
| CAK | CAL | NAC | CAD | 180.0° | 179.8° |
| HAK | CAK | HAKA | HAKB | 120.0° | 120.0° |
| HAK | CAK | CAL | NAC | 177.7° | 90.0° |
| HAKA | CAK | CAL | NAC | 62.4° | 30.0° |
| HAKB | CAK | CAL | NAC | 57.7° | 150.0° |
| CAL | NAC | CAD | CAE | 0.2° | 0.5° |
| CAL | NAC | CAD | OAA | 178.9° | 180.0° |
| NAC | CAD | CAE | OAA | 179.1° | 179.5° |
| NAC | CAD | OAA | H19 | 13.1° | 90.0° |
| CAE | CAD | OAA | H19 | 167.8° | 90.5° |
