AWR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FAC | CAX | sing | 1.40Å | 1.31Å | |
| CAX | FAD | sing | 1.40Å | 1.31Å | |
| CAX | FAE | sing | 1.40Å | 1.32Å | |
| CAX | CAR | sing | 1.51Å | 1.51Å | |
| CAR | CAV | sing | 1.39Å | 1.46Å | Aromatic |
| CAR | NAO | doub | 1.32Å | 1.33Å | Aromatic |
| CAV | CAT | doub | 1.41Å | 1.41Å | Aromatic |
| CAV | NAW | sing | 1.38Å | 1.40Å | Aromatic |
| NAO | CAF | sing | 1.32Å | 1.36Å | Aromatic |
| CAF | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAT | sing | 1.39Å | 1.39Å | Aromatic |
| CAT | CAS | sing | 1.47Å | 1.44Å | Aromatic |
| CAS | CAI | sing | 1.39Å | 1.40Å | Aromatic |
| CAS | CAU | doub | 1.41Å | 1.41Å | Aromatic |
| CAI | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAQ | sing | 1.39Å | 1.39Å | Aromatic |
| CAQ | OAP | sing | 1.36Å | 1.38Å | |
| CAQ | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| OAP | CAA | sing | 1.43Å | 1.44Å | |
| CAJ | CAU | sing | 1.39Å | 1.39Å | Aromatic |
| CAU | NAW | sing | 1.38Å | 1.39Å | Aromatic |
| NAW | CAN | sing | 1.46Å | 1.47Å | |
| CAN | CAM | sing | 1.53Å | 1.51Å | |
| CAM | CAL | sing | 1.53Å | 1.53Å | |
| CAL | CAK | sing | 1.53Å | 1.51Å | |
| CAK | NAB | sing | 1.47Å | 1.49Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å | |
| CAM | HAM1 | sing | 1.09Å | 1.10Å | |
| CAM | HAM2 | sing | 1.09Å | 1.10Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| NAB | HAB1 | sing | 1.01Å | 1.00Å | |
| NAB | HAB2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FAC | CAX | FAD | 107.0° | 109.5° |
| FAC | CAX | FAE | 107.3° | 109.5° |
| FAC | CAX | CAR | 112.0° | 109.4° |
| FAD | CAX | FAE | 105.0° | 109.5° |
| FAD | CAX | CAR | 112.1° | 109.5° |
| FAE | CAX | CAR | 113.0° | 109.5° |
| CAX | CAR | CAV | 123.5° | 119.8° |
| CAX | CAR | NAO | 116.0° | 119.7° |
| CAV | CAR | NAO | 120.6° | 120.5° |
| CAR | CAV | CAT | 118.8° | 118.5° |
| CAR | CAV | NAW | 132.5° | 133.2° |
| CAR | NAO | CAF | 118.7° | 122.5° |
| CAT | CAV | NAW | 108.6° | 108.3° |
| CAV | CAT | CAH | 119.3° | 118.8° |
| CAV | CAT | CAS | 106.8° | 106.6° |
| CAV | NAW | CAU | 108.5° | 110.3° |
| CAV | NAW | CAN | 126.7° | 124.8° |
| NAO | CAF | CAH | 125.0° | 121.0° |
| NAO | CAF | HAF | 117.5° | 119.5° |
| CAF | CAH | CAT | 117.5° | 118.7° |
| CAH | CAF | HAF | 117.5° | 119.5° |
| CAF | CAH | HAH | 121.2° | 120.6° |
| CAH | CAT | CAS | 133.8° | 134.6° |
| CAT | CAH | HAH | 121.2° | 120.7° |
| CAT | CAS | CAI | 133.6° | 133.6° |
| CAT | CAS | CAU | 106.9° | 106.4° |
| CAI | CAS | CAU | 119.5° | 120.0° |
| CAS | CAI | CAG | 119.3° | 119.9° |
| CAS | CAI | HAI | 120.4° | 120.0° |
| CAS | CAU | CAJ | 121.5° | 119.3° |
| CAS | CAU | NAW | 109.2° | 108.4° |
| CAI | CAG | CAQ | 120.2° | 120.2° |
| CAG | CAI | HAI | 120.4° | 120.0° |
| CAI | CAG | HAG | 119.9° | 119.9° |
| CAG | CAQ | OAP | 116.4° | 119.8° |
| CAG | CAQ | CAJ | 121.9° | 120.4° |
| CAQ | CAG | HAG | 119.9° | 119.9° |
| OAP | CAQ | CAJ | 121.6° | 119.8° |
| CAQ | OAP | CAA | 119.1° | 117.0° |
| CAQ | CAJ | CAU | 117.4° | 120.1° |
| CAQ | CAJ | HAJ | 121.3° | 119.9° |
| OAP | CAA | HAA1 | 109.5° | 109.5° |
| OAP | CAA | HAA2 | 109.5° | 109.4° |
| OAP | CAA | HAA3 | 109.5° | 109.5° |
| CAJ | CAU | NAW | 129.3° | 132.2° |
| CAU | CAJ | HAJ | 121.3° | 120.0° |
| CAU | NAW | CAN | 124.7° | 124.9° |
| NAW | CAN | CAM | 115.3° | 109.4° |
| NAW | CAN | HAN1 | 108.0° | 109.5° |
| NAW | CAN | HAN2 | 108.0° | 109.5° |
| CAN | CAM | CAL | 111.1° | 109.5° |
| CAM | CAN | HAN1 | 108.0° | 109.4° |
| CAM | CAN | HAN2 | 108.0° | 109.5° |
| CAN | CAM | HAM1 | 109.1° | 109.5° |
| CAN | CAM | HAM2 | 109.1° | 109.5° |
| CAM | CAL | CAK | 113.4° | 109.5° |
| CAL | CAM | HAM1 | 109.1° | 109.5° |
| CAL | CAM | HAM2 | 109.1° | 109.4° |
| CAM | CAL | HAL1 | 108.4° | 109.5° |
| CAM | CAL | HAL2 | 108.5° | 109.4° |
| CAL | CAK | NAB | 111.9° | 109.5° |
| CAK | CAL | HAL1 | 108.5° | 109.5° |
| CAK | CAL | HAL2 | 108.5° | 109.5° |
| CAL | CAK | HAK1 | 108.9° | 109.5° |
| CAL | CAK | HAK2 | 108.9° | 109.5° |
| NAB | CAK | HAK1 | 108.8° | 109.5° |
| NAB | CAK | HAK2 | 108.8° | 109.4° |
| CAK | NAB | HAB1 | 109.5° | 111.0° |
| CAK | NAB | HAB2 | 109.5° | 111.1° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.4° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.4° |
| HAN1 | CAN | HAN2 | 109.5° | 109.5° |
| HAM1 | CAM | HAM2 | 109.5° | 109.4° |
| HAL1 | CAL | HAL2 | 109.5° | 109.5° |
| HAK1 | CAK | HAK2 | 109.5° | 109.5° |
| HAB1 | NAB | HAB2 | 109.4° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FAC | CAX | FAD | FAE | 113.8° | 120.0° |
| FAC | CAX | FAD | CAR | 123.2° | 119.9° |
| FAC | CAX | FAE | CAR | 123.9° | 120.0° |
| FAC | CAX | CAR | CAV | 80.0° | 66.4° |
| FAC | CAX | CAR | NAO | 98.9° | 114.0° |
| FAD | CAX | FAE | CAR | 122.5° | 120.0° |
| FAD | CAX | CAR | CAV | 40.3° | 53.6° |
| FAD | CAX | CAR | NAO | 140.8° | 126.1° |
| FAE | CAX | CAR | CAV | 158.8° | 173.6° |
| FAE | CAX | CAR | NAO | 22.4° | 6.0° |
| CAX | CAR | CAV | NAO | 178.8° | 179.7° |
| CAX | CAR | CAV | CAT | 178.9° | 179.9° |
| CAX | CAR | CAV | NAW | 0.8° | 0.0° |
| CAX | CAR | NAO | CAF | 179.3° | 180.0° |
| CAR | CAV | CAT | NAW | 179.7° | 180.0° |
| CAV | CAR | NAO | CAF | 0.4° | 0.3° |
| CAR | CAV | CAT | CAH | 0.1° | 0.0° |
| CAR | CAV | CAT | CAS | 179.6° | 180.0° |
| CAR | CAV | NAW | CAU | 179.1° | 180.0° |
| CAR | CAV | NAW | CAN | 2.5° | 0.0° |
| NAO | CAR | CAV | CAT | 0.1° | 0.3° |
| NAO | CAR | CAV | NAW | 179.5° | 179.7° |
| CAR | NAO | CAF | CAH | 0.7° | 0.1° |
| CAR | NAO | CAF | HAF | 179.3° | 179.9° |
| CAV | CAT | CAH | CAF | 0.3° | 0.2° |
| CAV | CAT | CAH | CAS | 179.6° | 179.9° |
| CAV | CAT | CAS | CAI | 179.7° | 180.0° |
| CAV | CAT | CAS | CAU | 0.1° | 0.0° |
| CAT | CAV | NAW | CAU | 1.2° | 0.0° |
| CAT | CAV | NAW | CAN | 177.9° | 180.0° |
| CAV | CAT | CAH | HAH | 179.6° | 180.0° |
| NAW | CAV | CAT | CAH | 179.6° | 179.9° |
| NAW | CAV | CAT | CAS | 0.7° | 0.0° |
| CAV | NAW | CAU | CAS | 1.3° | 0.1° |
| CAV | NAW | CAU | CAJ | 179.2° | 180.0° |
| CAV | NAW | CAU | CAN | 176.8° | 179.9° |
| CAV | NAW | CAN | CAM | 128.7° | 96.3° |
| CAV | NAW | CAN | HAN1 | 7.8° | 143.7° |
| CAV | NAW | CAN | HAN2 | 110.4° | 23.7° |
| NAO | CAF | CAH | HAF | 180.0° | 180.0° |
| NAO | CAF | CAH | CAT | 0.7° | 0.1° |
| NAO | CAF | CAH | HAH | 179.3° | 180.0° |
| CAF | CAH | CAT | HAH | 180.0° | 179.9° |
| CAF | CAH | CAT | CAS | 179.3° | 179.8° |
| CAH | CAT | CAS | CAI | 0.0° | 0.1° |
| CAH | CAT | CAS | CAU | 179.5° | 179.9° |
| CAT | CAH | CAF | HAF | 179.3° | 179.8° |
| CAT | CAS | CAI | CAU | 179.5° | 179.9° |
| CAT | CAS | CAI | CAG | 179.3° | 180.0° |
| CAT | CAS | CAU | CAJ | 179.6° | 180.0° |
| CAT | CAS | CAU | NAW | 0.8° | 0.0° |
| CAS | CAT | CAH | HAH | 0.8° | 0.1° |
| CAT | CAS | CAI | HAI | 0.7° | 0.0° |
| CAS | CAI | CAG | HAI | 180.0° | 180.0° |
| CAS | CAI | CAG | CAQ | 0.8° | 0.0° |
| CAI | CAS | CAU | CAJ | 0.0° | 0.1° |
| CAI | CAS | CAU | NAW | 179.5° | 180.0° |
| CAS | CAI | CAG | HAG | 179.2° | 180.0° |
| CAU | CAS | CAI | CAG | 0.2° | 0.0° |
| CAS | CAU | CAJ | CAQ | 0.4° | 0.1° |
| CAS | CAU | CAJ | NAW | 179.5° | 179.9° |
| CAS | CAU | NAW | CAN | 178.0° | 180.0° |
| CAU | CAS | CAI | HAI | 179.7° | 180.0° |
| CAS | CAU | CAJ | HAJ | 179.6° | 180.0° |
| CAI | CAG | CAQ | HAG | 180.0° | 180.0° |
| CAI | CAG | CAQ | OAP | 180.0° | 180.0° |
| CAI | CAG | CAQ | CAJ | 1.2° | 0.0° |
| CAG | CAQ | OAP | CAJ | 178.8° | 180.0° |
| CAG | CAQ | OAP | CAA | 148.9° | 0.0° |
| CAG | CAQ | CAJ | CAU | 1.0° | 0.0° |
| CAQ | CAG | CAI | HAI | 179.2° | 180.0° |
| CAG | CAQ | CAJ | HAJ | 179.0° | 180.0° |
| OAP | CAQ | CAJ | CAU | 179.7° | 180.0° |
| OAP | CAQ | CAG | HAG | 0.0° | 0.0° |
| OAP | CAQ | CAJ | HAJ | 0.3° | 0.1° |
| CAQ | OAP | CAA | HAA1 | 180.0° | 60.0° |
| CAQ | OAP | CAA | HAA2 | 60.0° | 180.0° |
| CAQ | OAP | CAA | HAA3 | 60.0° | 60.1° |
| CAJ | CAQ | OAP | CAA | 32.2° | 180.0° |
| CAQ | CAJ | CAU | HAJ | 180.0° | 179.9° |
| CAQ | CAJ | CAU | NAW | 179.1° | 180.0° |
| CAJ | CAQ | CAG | HAG | 178.8° | 180.0° |
| OAP | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| OAP | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| OAP | CAA | HAA2 | HAA3 | 120.0° | 119.9° |
| CAJ | CAU | NAW | CAN | 2.4° | 0.1° |
| CAU | NAW | CAN | CAM | 55.1° | 83.7° |
| NAW | CAU | CAJ | HAJ | 0.9° | 0.1° |
| CAU | NAW | CAN | HAN1 | 176.0° | 36.2° |
| CAU | NAW | CAN | HAN2 | 65.7° | 156.3° |
| NAW | CAN | CAM | HAN1 | 120.8° | 120.0° |
| NAW | CAN | CAM | HAN2 | 120.9° | 120.1° |
| NAW | CAN | CAM | CAL | 138.8° | 174.8° |
| NAW | CAN | HAN1 | HAN2 | 117.3° | 120.1° |
| NAW | CAN | CAM | HAM1 | 18.5° | 54.8° |
| NAW | CAN | CAM | HAM2 | 101.0° | 65.2° |
| CAN | CAM | CAL | HAM1 | 120.3° | 120.0° |
| CAN | CAM | CAL | HAM2 | 120.3° | 120.0° |
| CAN | CAM | CAL | CAK | 67.6° | 180.0° |
| CAM | CAN | HAN1 | HAN2 | 117.3° | 120.0° |
| CAN | CAM | HAM1 | HAM2 | 119.3° | 120.0° |
| CAN | CAM | CAL | HAL1 | 53.0° | 60.0° |
| CAN | CAM | CAL | HAL2 | 171.8° | 60.0° |
| CAM | CAL | CAK | HAL1 | 120.6° | 120.1° |
| CAM | CAL | CAK | HAL2 | 120.6° | 120.0° |
| CAM | CAL | CAK | NAB | 153.3° | 180.0° |
| CAL | CAM | CAN | HAN1 | 100.4° | 65.2° |
| CAL | CAM | CAN | HAN2 | 17.9° | 54.7° |
| CAL | CAM | HAM1 | HAM2 | 119.2° | 119.9° |
| CAM | CAL | HAL1 | HAL2 | 118.2° | 120.0° |
| CAM | CAL | CAK | HAK1 | 32.9° | 59.9° |
| CAM | CAL | CAK | HAK2 | 86.4° | 60.0° |
| CAL | CAK | NAB | HAK1 | 120.4° | 120.0° |
| CAL | CAK | NAB | HAK2 | 120.4° | 120.0° |
| CAK | CAL | CAM | HAM1 | 172.2° | 59.9° |
| CAK | CAL | CAM | HAM2 | 52.7° | 60.0° |
| CAK | CAL | HAL1 | HAL2 | 118.2° | 120.0° |
| CAL | CAK | HAK1 | HAK2 | 118.9° | 120.0° |
| CAL | CAK | NAB | HAB1 | 180.0° | 56.1° |
| CAL | CAK | NAB | HAB2 | 60.0° | 180.0° |
| NAB | CAK | CAL | HAL1 | 86.1° | 59.9° |
| NAB | CAK | CAL | HAL2 | 32.7° | 60.0° |
| NAB | CAK | HAK1 | HAK2 | 118.8° | 120.0° |
| CAK | NAB | HAB1 | HAB2 | 120.0° | 124.0° |
| HAF | CAF | CAH | HAH | 0.7° | 0.0° |
| HAI | CAI | CAG | HAG | 0.8° | 0.0° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAN1 | CAN | CAM | HAM1 | 139.4° | 174.7° |
| HAN1 | CAN | CAM | HAM2 | 19.9° | 54.7° |
| HAN2 | CAN | CAM | HAM1 | 102.3° | 65.3° |
| HAN2 | CAN | CAM | HAM2 | 138.2° | 174.7° |
| HAM1 | CAM | CAL | HAL1 | 67.3° | 180.0° |
| HAM1 | CAM | CAL | HAL2 | 51.6° | 60.1° |
| HAM2 | CAM | CAL | HAL1 | 173.3° | 60.0° |
| HAM2 | CAM | CAL | HAL2 | 67.9° | 180.0° |
| HAL1 | CAL | CAK | HAK1 | 153.5° | 180.0° |
| HAL1 | CAL | CAK | HAK2 | 34.2° | 60.0° |
| HAL2 | CAL | CAK | HAK1 | 87.7° | 60.0° |
| HAL2 | CAL | CAK | HAK2 | 153.0° | 180.0° |
| HAK1 | CAK | NAB | HAB1 | 59.7° | 63.9° |
| HAK1 | CAK | NAB | HAB2 | 179.6° | 60.0° |
| HAK2 | CAK | NAB | HAB1 | 59.6° | 176.1° |
| HAK2 | CAK | NAB | HAB2 | 60.4° | 60.0° |
