W14
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAL | doub | 1.21Å | 1.23Å | |
| OAB | CAM | sing | 1.36Å | 1.37Å | |
| FAC | CAQ | sing | 1.40Å | 1.33Å | |
| FAD | CAQ | sing | 1.40Å | 1.24Å | |
| FAE | CAQ | sing | 1.40Å | 1.49Å | |
| CAF | CAG | doub | 1.38Å | 1.42Å | Aromatic |
| CAF | CAM | sing | 1.39Å | 1.41Å | Aromatic |
| CAG | CAN | sing | 1.39Å | 1.39Å | Aromatic |
| CAH | CAM | doub | 1.38Å | 1.38Å | Aromatic |
| CAH | CAO | sing | 1.39Å | 1.39Å | Aromatic |
| CAI | CAJ | sing | 1.53Å | 1.56Å | |
| CAI | CAN | sing | 1.51Å | 1.41Å | |
| CAJ | NAP | sing | 1.47Å | 1.49Å | |
| CAK | CAO | sing | 1.51Å | 1.42Å | |
| CAK | NAP | sing | 1.47Å | 1.49Å | |
| CAL | NAP | sing | 1.35Å | 1.36Å | |
| CAL | CAQ | sing | 1.51Å | 1.54Å | |
| CAN | CAO | doub | 1.38Å | 1.39Å | Aromatic |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| 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 | |
| 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) |
| OAA | CAL | NAP | 122.4° | 120.0° |
| OAA | CAL | CAQ | 117.7° | 120.0° |
| OAB | CAM | CAF | 119.5° | 120.2° |
| OAB | CAM | CAH | 118.2° | 120.2° |
| CAM | OAB | HOAB | 109.5° | 114.0° |
| FAC | CAQ | FAD | 105.6° | 109.5° |
| FAC | CAQ | FAE | 110.5° | 109.4° |
| FAC | CAQ | CAL | 109.2° | 109.5° |
| FAD | CAQ | FAE | 111.1° | 109.5° |
| FAD | CAQ | CAL | 113.9° | 109.5° |
| FAE | CAQ | CAL | 106.6° | 109.5° |
| CAG | CAF | CAM | 116.8° | 119.8° |
| CAF | CAG | CAN | 121.2° | 120.6° |
| CAG | CAF | HAF | 121.6° | 120.1° |
| CAF | CAG | HAG | 119.4° | 119.7° |
| CAF | CAM | CAH | 122.3° | 119.6° |
| CAM | CAF | HAF | 121.6° | 120.1° |
| CAG | CAN | CAI | 117.3° | 117.5° |
| CAG | CAN | CAO | 119.9° | 119.6° |
| CAN | CAG | HAG | 119.4° | 119.7° |
| CAM | CAH | CAO | 119.1° | 120.5° |
| CAM | CAH | HAH | 120.5° | 119.8° |
| CAH | CAO | CAK | 117.4° | 117.8° |
| CAH | CAO | CAN | 120.7° | 119.9° |
| CAO | CAH | HAH | 120.4° | 119.8° |
| CAJ | CAI | CAN | 118.8° | 110.9° |
| CAI | CAJ | NAP | 110.3° | 107.9° |
| CAJ | CAI | HAI | 106.4° | 109.2° |
| CAJ | CAI | HAIA | 106.5° | 109.2° |
| CAI | CAJ | HAJ | 109.2° | 109.8° |
| CAI | CAJ | HAJA | 109.2° | 109.8° |
| CAI | CAN | CAO | 122.8° | 122.8° |
| CAN | CAI | HAI | 106.5° | 109.2° |
| CAN | CAI | HAIA | 106.5° | 109.2° |
| CAJ | NAP | CAK | 120.8° | 117.3° |
| CAJ | NAP | CAL | 122.1° | 121.3° |
| NAP | CAJ | HAJ | 109.2° | 109.8° |
| NAP | CAJ | HAJA | 109.2° | 109.7° |
| CAO | CAK | NAP | 117.4° | 109.7° |
| CAK | CAO | CAN | 121.9° | 122.3° |
| CAO | CAK | HAK | 106.9° | 109.4° |
| CAO | CAK | HAKA | 106.9° | 109.4° |
| CAK | NAP | CAL | 117.0° | 121.3° |
| NAP | CAK | HAK | 106.9° | 109.5° |
| NAP | CAK | HAKA | 106.9° | 109.4° |
| NAP | CAL | CAQ | 119.6° | 120.0° |
| HAI | CAI | HAIA | 112.3° | 109.2° |
| HAJ | CAJ | HAJA | 109.8° | 109.8° |
| HAK | CAK | HAKA | 111.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAL | CAQ | FAC | 124.6° | 0.0° |
| OAA | CAL | CAQ | FAD | 117.6° | 120.0° |
| OAA | CAL | CAQ | FAE | 5.2° | 120.0° |
| OAA | CAL | NAP | CAJ | 175.0° | 0.0° |
| OAA | CAL | NAP | CAK | 1.2° | 180.0° |
| OAA | CAL | NAP | CAQ | 174.1° | 180.0° |
| OAB | CAM | CAF | CAG | 179.7° | 179.7° |
| OAB | CAM | CAF | CAH | 178.5° | 180.0° |
| OAB | CAM | CAH | CAO | 178.5° | 180.0° |
| OAB | CAM | CAF | HAF | 0.3° | 0.5° |
| OAB | CAM | CAH | HAH | 1.5° | 0.1° |
| FAC | CAQ | FAD | FAE | 119.8° | 120.0° |
| FAC | CAQ | FAD | CAL | 119.8° | 120.0° |
| FAC | CAQ | FAE | CAL | 118.6° | 120.0° |
| FAC | CAQ | CAL | NAP | 49.7° | 180.0° |
| FAD | CAQ | FAE | CAL | 124.6° | 120.0° |
| FAD | CAQ | CAL | NAP | 68.0° | 60.0° |
| FAE | CAQ | CAL | NAP | 169.2° | 60.0° |
| CAG | CAF | CAM | HAF | 180.0° | 179.7° |
| CAF | CAG | CAN | HAG | 180.0° | 180.0° |
| CAG | CAF | CAM | CAH | 1.2° | 0.3° |
| CAF | CAG | CAN | CAI | 179.8° | 179.3° |
| CAF | CAG | CAN | CAO | 1.0° | 0.4° |
| CAM | CAF | CAG | CAN | 0.7° | 0.1° |
| CAF | CAM | CAH | CAO | 0.1° | 0.0° |
| CAF | CAM | OAB | HOAB | 180.0° | 90.1° |
| CAM | CAF | CAG | HAG | 179.3° | 179.9° |
| CAF | CAM | CAH | HAH | 180.0° | 179.9° |
| CAG | CAN | CAO | CAH | 2.3° | 0.6° |
| CAG | CAN | CAI | CAJ | 164.5° | 160.3° |
| CAG | CAN | CAI | CAO | 178.8° | 179.7° |
| CAG | CAN | CAO | CAK | 178.4° | 179.1° |
| CAN | CAG | CAF | HAF | 179.3° | 179.6° |
| CAG | CAN | CAI | HAI | 44.5° | 40.0° |
| CAG | CAN | CAI | HAIA | 75.5° | 79.3° |
| CAM | CAH | CAO | HAH | 180.0° | 180.0° |
| CAM | CAH | CAO | CAK | 178.8° | 179.3° |
| CAM | CAH | CAO | CAN | 1.8° | 0.4° |
| CAH | CAM | OAB | HOAB | 1.4° | 90.0° |
| CAH | CAM | CAF | HAF | 178.8° | 179.5° |
| CAH | CAO | CAN | CAI | 179.0° | 179.1° |
| CAH | CAO | CAK | CAN | 179.4° | 179.8° |
| CAH | CAO | CAK | NAP | 176.4° | 168.9° |
| CAH | CAO | CAK | HAK | 63.6° | 71.0° |
| CAH | CAO | CAK | HAKA | 56.4° | 48.8° |
| CAJ | CAI | CAN | HAI | 120.0° | 120.3° |
| CAJ | CAI | CAN | HAIA | 120.0° | 120.4° |
| CAI | CAJ | NAP | HAJ | 120.0° | 119.6° |
| CAI | CAJ | NAP | HAJA | 120.0° | 119.6° |
| CAI | CAJ | NAP | CAK | 31.9° | 64.3° |
| CAI | CAJ | NAP | CAL | 144.2° | 115.7° |
| CAJ | CAI | CAN | CAO | 14.3° | 20.0° |
| CAJ | CAI | HAI | HAIA | 116.1° | 119.3° |
| CAI | CAJ | HAJ | HAJA | 119.7° | 120.8° |
| CAN | CAI | CAJ | NAP | 28.6° | 47.5° |
| CAI | CAN | CAO | CAK | 0.4° | 1.2° |
| CAI | CAN | CAG | HAG | 0.2° | 0.7° |
| CAN | CAI | HAI | HAIA | 116.2° | 119.3° |
| CAN | CAI | CAJ | HAJ | 148.6° | 167.1° |
| CAN | CAI | CAJ | HAJA | 91.4° | 72.1° |
| CAJ | NAP | CAK | CAO | 20.7° | 44.4° |
| CAJ | NAP | CAK | CAL | 176.3° | 180.0° |
| CAJ | NAP | CAL | CAQ | 1.0° | 180.0° |
| NAP | CAJ | CAI | HAI | 148.6° | 167.8° |
| NAP | CAJ | CAI | HAIA | 91.4° | 72.9° |
| NAP | CAJ | HAJ | HAJA | 119.6° | 120.7° |
| CAJ | NAP | CAK | HAK | 99.3° | 75.6° |
| CAJ | NAP | CAK | HAKA | 140.7° | 164.5° |
| CAO | CAK | NAP | HAK | 120.0° | 120.0° |
| CAO | CAK | NAP | HAKA | 120.0° | 120.1° |
| CAO | CAK | NAP | CAL | 155.6° | 135.6° |
| CAK | CAO | CAH | HAH | 1.2° | 0.6° |
| CAO | CAK | HAK | HAKA | 116.7° | 119.9° |
| CAK | NAP | CAL | CAQ | 175.3° | 0.0° |
| NAP | CAK | CAO | CAN | 2.9° | 11.4° |
| CAK | NAP | CAJ | HAJ | 151.9° | 176.1° |
| CAK | NAP | CAJ | HAJA | 88.1° | 55.3° |
| NAP | CAK | HAK | HAKA | 116.7° | 119.9° |
| CAL | NAP | CAJ | HAJ | 24.2° | 3.9° |
| CAL | NAP | CAJ | HAJA | 95.8° | 124.7° |
| CAL | NAP | CAK | HAK | 84.4° | 104.4° |
| CAL | NAP | CAK | HAKA | 35.6° | 15.5° |
| CAO | CAN | CAG | HAG | 179.0° | 179.6° |
| CAN | CAO | CAH | HAH | 178.2° | 179.6° |
| CAO | CAN | CAI | HAI | 134.3° | 140.3° |
| CAO | CAN | CAI | HAIA | 105.7° | 100.4° |
| CAN | CAO | CAK | HAK | 117.1° | 108.7° |
| CAN | CAO | CAK | HAKA | 123.0° | 131.5° |
| HAF | CAF | CAG | HAG | 0.7° | 0.4° |
| HAI | CAI | CAJ | HAJ | 91.4° | 72.6° |
| HAI | CAI | CAJ | HAJA | 28.6° | 48.2° |
| HAIA | CAI | CAJ | HAJ | 28.6° | 46.7° |
| HAIA | CAI | CAJ | HAJA | 148.6° | 167.5° |
