X7E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAN | CAW | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAW | FAG | sing | 1.35Å | 1.34Å | |
| CAW | CAV | doub | 1.39Å | 1.37Å | Aromatic |
| CAV | FAF | sing | 1.35Å | 1.33Å | |
| CAV | CAL | sing | 1.38Å | 1.38Å | Aromatic |
| CAL | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAU | sing | 1.38Å | 1.40Å | Aromatic |
| CAU | CAQ | sing | 1.51Å | 1.54Å | |
| CAQ | OAC | sing | 1.43Å | 1.39Å | |
| CAQ | CAS | sing | 1.51Å | 1.52Å | |
| CAS | CAP | doub | 1.32Å | 1.39Å | |
| CAS | CAY | sing | 1.51Å | 1.50Å | |
| CAP | CAA | sing | 1.51Å | 1.53Å | |
| CAP | NAZ | sing | 1.39Å | 1.39Å | |
| NAZ | CAB | sing | 1.47Å | 1.47Å | |
| NAZ | CAR | sing | 1.34Å | 1.37Å | |
| CAR | SAE | doub | 1.71Å | 1.65Å | |
| CAR | NAO | sing | 1.35Å | 1.37Å | |
| NAO | CAY | sing | 1.47Å | 1.44Å | |
| CAY | CAX | sing | 1.51Å | 1.59Å | |
| CAX | CAM | sing | 1.38Å | 1.40Å | Aromatic |
| CAX | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | CAT | doub | 1.39Å | 1.41Å | Aromatic |
| CAK | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAT | sing | 1.39Å | 1.38Å | Aromatic |
| CAT | OAD | sing | 1.36Å | 1.38Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| OAC | HAC | sing | 0.97Å | 0.95Å | |
| CAY | HAY | 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 | |
| NAO | HAO | sing | 0.97Å | 1.00Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| OAD | HAD | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAW | CAN | CAU | 119.3° | 120.0° |
| CAN | CAW | FAG | 124.3° | 120.0° |
| CAN | CAW | CAV | 121.1° | 119.9° |
| CAW | CAN | HAN | 120.4° | 120.0° |
| CAN | CAU | CAJ | 118.4° | 120.0° |
| CAN | CAU | CAQ | 118.7° | 120.0° |
| CAU | CAN | HAN | 120.4° | 120.0° |
| FAG | CAW | CAV | 114.6° | 120.0° |
| CAW | CAV | FAF | 113.5° | 120.0° |
| CAW | CAV | CAL | 121.4° | 119.9° |
| FAF | CAV | CAL | 125.1° | 120.0° |
| CAV | CAL | CAJ | 117.7° | 120.0° |
| CAV | CAL | HAL | 121.2° | 120.0° |
| CAL | CAJ | CAU | 122.1° | 120.1° |
| CAJ | CAL | HAL | 121.2° | 120.0° |
| CAL | CAJ | HAJ | 118.9° | 120.0° |
| CAJ | CAU | CAQ | 122.8° | 120.0° |
| CAU | CAJ | HAJ | 118.9° | 119.9° |
| CAU | CAQ | OAC | 106.3° | 109.5° |
| CAU | CAQ | CAS | 110.8° | 109.5° |
| CAU | CAQ | HAQ | 111.2° | 109.5° |
| OAC | CAQ | CAS | 110.9° | 109.5° |
| OAC | CAQ | HAQ | 111.1° | 109.5° |
| CAQ | OAC | HAC | 109.5° | 114.0° |
| CAQ | CAS | CAP | 121.1° | 120.9° |
| CAQ | CAS | CAY | 117.4° | 120.9° |
| CAS | CAQ | HAQ | 106.6° | 109.4° |
| CAP | CAS | CAY | 119.0° | 118.1° |
| CAS | CAP | CAA | 122.9° | 119.4° |
| CAS | CAP | NAZ | 119.0° | 121.2° |
| CAS | CAY | NAO | 111.8° | 117.1° |
| CAS | CAY | CAX | 104.6° | 107.9° |
| CAS | CAY | HAY | 109.2° | 107.9° |
| CAA | CAP | NAZ | 118.1° | 119.4° |
| CAP | CAA | HAA1 | 109.5° | 109.5° |
| CAP | CAA | HAA2 | 109.5° | 109.5° |
| CAP | CAA | HAA3 | 109.4° | 109.4° |
| CAP | NAZ | CAB | 121.5° | 118.3° |
| CAP | NAZ | CAR | 120.0° | 123.4° |
| CAB | NAZ | CAR | 118.3° | 118.3° |
| NAZ | CAB | HAB1 | 109.5° | 109.5° |
| NAZ | CAB | HAB2 | 109.5° | 109.5° |
| NAZ | CAB | HAB3 | 109.4° | 109.5° |
| NAZ | CAR | SAE | 116.9° | 119.1° |
| NAZ | CAR | NAO | 123.2° | 121.7° |
| SAE | CAR | NAO | 118.3° | 119.1° |
| CAR | NAO | CAY | 117.4° | 118.4° |
| CAR | NAO | HAO | 121.3° | 120.8° |
| NAO | CAY | CAX | 102.7° | 107.7° |
| NAO | CAY | HAY | 110.8° | 108.1° |
| CAY | NAO | HAO | 121.3° | 120.8° |
| CAY | CAX | CAM | 122.8° | 120.0° |
| CAY | CAX | CAK | 122.6° | 119.9° |
| CAX | CAY | HAY | 117.5° | 107.7° |
| CAM | CAX | CAK | 114.5° | 120.1° |
| CAX | CAM | CAT | 124.0° | 119.9° |
| CAX | CAM | HAM | 118.0° | 120.0° |
| CAX | CAK | CAH | 122.1° | 120.1° |
| CAX | CAK | HAK | 119.0° | 120.0° |
| CAM | CAT | CAI | 120.0° | 119.9° |
| CAM | CAT | OAD | 121.3° | 120.1° |
| CAT | CAM | HAM | 118.0° | 120.0° |
| CAK | CAH | CAI | 122.5° | 120.1° |
| CAH | CAK | HAK | 118.9° | 119.9° |
| CAK | CAH | HAH | 118.8° | 120.0° |
| CAH | CAI | CAT | 116.7° | 120.0° |
| CAI | CAH | HAH | 118.7° | 119.9° |
| CAH | CAI | HAI | 121.6° | 120.0° |
| CAI | CAT | OAD | 118.7° | 120.1° |
| CAT | CAI | HAI | 121.6° | 120.0° |
| CAT | OAD | HAD | 109.5° | 114.0° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.4° | 109.4° |
| HAA2 | CAA | HAA3 | 109.5° | 109.4° |
| HAB1 | CAB | HAB2 | 109.5° | 109.5° |
| HAB1 | CAB | HAB3 | 109.4° | 109.4° |
| HAB2 | CAB | HAB3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAW | CAN | CAU | HAN | 180.0° | 179.7° |
| CAN | CAW | FAG | CAV | 177.2° | 180.0° |
| CAN | CAW | CAV | FAF | 179.0° | 180.0° |
| CAN | CAW | CAV | CAL | 0.5° | 0.0° |
| CAW | CAN | CAU | CAJ | 0.2° | 0.0° |
| CAW | CAN | CAU | CAQ | 176.7° | 180.0° |
| CAU | CAN | CAW | FAG | 177.3° | 180.0° |
| CAU | CAN | CAW | CAV | 0.2° | 0.0° |
| CAN | CAU | CAJ | CAL | 0.5° | 0.0° |
| CAN | CAU | CAJ | CAQ | 176.8° | 180.0° |
| CAN | CAU | CAQ | OAC | 66.9° | 140.3° |
| CAN | CAU | CAQ | CAS | 172.6° | 99.7° |
| CAN | CAU | CAJ | HAJ | 179.5° | 180.0° |
| CAN | CAU | CAQ | HAQ | 54.2° | 20.2° |
| FAG | CAW | CAV | FAF | 1.7° | 0.0° |
| FAG | CAW | CAV | CAL | 177.8° | 180.0° |
| FAG | CAW | CAN | HAN | 2.7° | 0.3° |
| CAW | CAV | FAF | CAL | 179.5° | 180.0° |
| CAW | CAV | CAL | CAJ | 0.8° | 0.0° |
| CAV | CAW | CAN | HAN | 179.8° | 179.7° |
| CAW | CAV | CAL | HAL | 179.2° | 180.0° |
| FAF | CAV | CAL | CAJ | 178.7° | 180.0° |
| FAF | CAV | CAL | HAL | 1.3° | 0.0° |
| CAV | CAL | CAJ | HAL | 180.0° | 180.0° |
| CAV | CAL | CAJ | CAU | 0.8° | 0.0° |
| CAV | CAL | CAJ | HAJ | 179.2° | 180.0° |
| CAL | CAJ | CAU | HAJ | 180.0° | 180.0° |
| CAL | CAJ | CAU | CAQ | 176.3° | 180.0° |
| CAJ | CAU | CAQ | OAC | 116.4° | 39.7° |
| CAJ | CAU | CAQ | CAS | 4.2° | 80.3° |
| CAJ | CAU | CAN | HAN | 179.7° | 179.7° |
| CAU | CAJ | CAL | HAL | 179.2° | 180.0° |
| CAJ | CAU | CAQ | HAQ | 122.6° | 159.8° |
| CAU | CAQ | OAC | CAS | 120.5° | 120.0° |
| CAU | CAQ | OAC | HAQ | 121.1° | 120.0° |
| CAU | CAQ | CAS | HAQ | 121.2° | 120.0° |
| CAU | CAQ | CAS | CAP | 69.8° | 114.3° |
| CAU | CAQ | CAS | CAY | 128.6° | 65.4° |
| CAQ | CAU | CAN | HAN | 3.3° | 0.3° |
| CAQ | CAU | CAJ | HAJ | 3.7° | 0.0° |
| CAU | CAQ | OAC | HAC | 153.3° | 52.2° |
| OAC | CAQ | CAS | HAQ | 121.1° | 120.0° |
| OAC | CAQ | CAS | CAP | 172.5° | 125.6° |
| OAC | CAQ | CAS | CAY | 10.8° | 54.6° |
| CAQ | CAS | CAP | CAY | 161.4° | 179.8° |
| CAQ | CAS | CAP | CAA | 0.1° | 0.1° |
| CAQ | CAS | CAP | NAZ | 178.3° | 180.0° |
| CAQ | CAS | CAY | NAO | 164.2° | 179.7° |
| CAQ | CAS | CAY | CAX | 85.4° | 58.0° |
| CAS | CAQ | OAC | HAC | 86.3° | 67.8° |
| CAQ | CAS | CAY | HAY | 41.2° | 58.1° |
| CAS | CAP | CAA | NAZ | 178.4° | 180.0° |
| CAS | CAP | NAZ | CAB | 176.6° | 180.0° |
| CAS | CAP | NAZ | CAR | 1.3° | 0.0° |
| CAP | CAS | CAY | NAO | 33.7° | 0.5° |
| CAP | CAS | CAY | CAX | 76.7° | 122.2° |
| CAP | CAS | CAQ | HAQ | 51.4° | 5.6° |
| CAP | CAS | CAY | HAY | 156.8° | 121.7° |
| CAS | CAP | CAA | HAA1 | 86.0° | 35.4° |
| CAS | CAP | CAA | HAA2 | 154.0° | 155.5° |
| CAS | CAP | CAA | HAA3 | 34.0° | 84.5° |
| CAY | CAS | CAP | CAA | 161.4° | 179.7° |
| CAY | CAS | CAP | NAZ | 16.9° | 0.3° |
| CAS | CAY | NAO | CAR | 33.5° | 0.5° |
| CAS | CAY | NAO | CAX | 111.6° | 121.8° |
| CAS | CAY | NAO | HAY | 122.1° | 122.1° |
| CAS | CAY | CAX | HAY | 121.2° | 116.2° |
| CAS | CAY | CAX | CAM | 155.3° | 119.1° |
| CAS | CAY | CAX | CAK | 21.3° | 60.7° |
| CAY | CAS | CAQ | HAQ | 110.3° | 174.6° |
| CAS | CAY | NAO | HAO | 146.5° | 179.8° |
| CAA | CAP | NAZ | CAB | 4.9° | 0.0° |
| CAA | CAP | NAZ | CAR | 179.7° | 180.0° |
| CAP | CAA | HAA1 | HAA2 | 120.0° | 120.1° |
| CAP | CAA | HAA1 | HAA3 | 120.0° | 119.9° |
| CAP | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| CAP | NAZ | CAB | CAR | 175.4° | 180.0° |
| CAP | NAZ | CAR | SAE | 164.8° | 180.0° |
| CAP | NAZ | CAR | NAO | 0.9° | 0.0° |
| NAZ | CAP | CAA | HAA1 | 95.7° | 144.5° |
| NAZ | CAP | CAA | HAA2 | 24.4° | 24.5° |
| NAZ | CAP | CAA | HAA3 | 144.4° | 95.5° |
| CAP | NAZ | CAB | HAB1 | 84.1° | 92.7° |
| CAP | NAZ | CAB | HAB2 | 155.9° | 147.3° |
| CAP | NAZ | CAB | HAB3 | 35.8° | 27.3° |
| CAB | NAZ | CAR | SAE | 10.7° | 0.0° |
| CAB | NAZ | CAR | NAO | 176.4° | 179.9° |
| NAZ | CAB | HAB1 | HAB2 | 120.0° | 120.0° |
| NAZ | CAB | HAB1 | HAB3 | 120.0° | 120.0° |
| NAZ | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| NAZ | CAR | SAE | NAO | 166.4° | 179.9° |
| NAZ | CAR | NAO | CAY | 18.2° | 0.2° |
| CAR | NAZ | CAB | HAB1 | 91.3° | 87.3° |
| CAR | NAZ | CAB | HAB2 | 28.7° | 32.7° |
| CAR | NAZ | CAB | HAB3 | 148.7° | 152.8° |
| NAZ | CAR | NAO | HAO | 161.8° | 179.9° |
| SAE | CAR | NAO | CAY | 176.4° | 179.7° |
| SAE | CAR | NAO | HAO | 3.6° | 0.0° |
| CAR | NAO | CAY | HAO | 180.0° | 179.7° |
| CAR | NAO | CAY | CAX | 78.1° | 122.3° |
| CAR | NAO | CAY | HAY | 155.6° | 121.6° |
| NAO | CAY | CAX | HAY | 121.9° | 116.4° |
| NAO | CAY | CAX | CAM | 38.4° | 113.6° |
| NAO | CAY | CAX | CAK | 138.2° | 66.7° |
| CAY | CAX | CAM | CAK | 176.8° | 179.7° |
| CAY | CAX | CAM | CAT | 178.7° | 180.0° |
| CAY | CAX | CAK | CAH | 179.6° | 180.0° |
| CAX | CAY | NAO | HAO | 101.9° | 58.0° |
| CAY | CAX | CAM | HAM | 1.3° | 0.1° |
| CAY | CAX | CAK | HAK | 0.4° | 0.1° |
| CAX | CAM | CAT | HAM | 180.0° | 179.9° |
| CAM | CAX | CAK | CAH | 2.7° | 0.3° |
| CAX | CAM | CAT | CAI | 1.0° | 0.0° |
| CAX | CAM | CAT | OAD | 179.4° | 179.9° |
| CAM | CAX | CAY | HAY | 83.5° | 2.8° |
| CAM | CAX | CAK | HAK | 177.3° | 179.7° |
| CAK | CAX | CAM | CAT | 1.9° | 0.3° |
| CAX | CAK | CAH | HAK | 180.0° | 179.9° |
| CAX | CAK | CAH | CAI | 0.8° | 0.1° |
| CAK | CAX | CAY | HAY | 99.9° | 176.9° |
| CAK | CAX | CAM | HAM | 178.1° | 179.8° |
| CAX | CAK | CAH | HAH | 179.2° | 179.9° |
| CAM | CAT | CAI | CAH | 2.9° | 0.3° |
| CAM | CAT | CAI | OAD | 179.6° | 180.0° |
| CAM | CAT | CAI | HAI | 177.1° | 180.0° |
| CAM | CAT | OAD | HAD | 19.0° | 90.0° |
| CAK | CAH | CAI | HAH | 180.0° | 180.0° |
| CAK | CAH | CAI | CAT | 2.1° | 0.4° |
| CAK | CAH | CAI | HAI | 177.9° | 180.0° |
| CAH | CAI | CAT | HAI | 180.0° | 179.6° |
| CAH | CAI | CAT | OAD | 177.5° | 179.7° |
| CAI | CAH | CAK | HAK | 179.2° | 180.0° |
| CAI | CAT | CAM | HAM | 179.0° | 179.9° |
| CAT | CAI | CAH | HAH | 177.9° | 179.7° |
| CAI | CAT | OAD | HAD | 161.4° | 90.1° |
| OAD | CAT | CAM | HAM | 0.6° | 0.0° |
| OAD | CAT | CAI | HAI | 2.5° | 0.1° |
| HAL | CAL | CAJ | HAJ | 0.7° | 0.0° |
| HAQ | CAQ | OAC | HAC | 32.1° | 172.2° |
| HAY | CAY | NAO | HAO | 24.4° | 58.1° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAB1 | CAB | HAB2 | HAB3 | 120.0° | 119.9° |
| HAK | CAK | CAH | HAH | 0.8° | 0.0° |
| HAH | CAH | CAI | HAI | 2.1° | 0.0° |
