WG8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAF | CAH | sing | 1.36Å | 1.39Å | Aromatic |
| CAF | CAP | doub | 1.40Å | 1.39Å | Aromatic |
| CAH | CAQ | doub | 1.41Å | 1.39Å | Aromatic |
| CAQ | CAG | sing | 1.40Å | 1.39Å | Aromatic |
| CAQ | CAR | sing | 1.42Å | 1.40Å | Aromatic |
| CAG | CAD | doub | 1.36Å | 1.39Å | Aromatic |
| CAD | CAE | sing | 1.39Å | 1.39Å | Aromatic |
| CAE | CAO | doub | 1.37Å | 1.39Å | Aromatic |
| CAO | OAC | sing | 1.36Å | 1.36Å | |
| CAO | CAR | sing | 1.41Å | 1.40Å | Aromatic |
| CAR | NAK | doub | 1.33Å | 1.35Å | Aromatic |
| NAK | CAP | sing | 1.32Å | 1.35Å | Aromatic |
| CAP | CAN | sing | 1.48Å | 1.39Å | |
| CAN | N | doub | 1.28Å | 1.34Å | |
| CAN | SAL | sing | 1.77Å | 1.74Å | |
| N | CA | sing | 1.45Å | 1.49Å | |
| SAL | CB | sing | 1.82Å | 1.81Å | |
| CB | CA | sing | 1.54Å | 1.54Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| C | OXT | doub | 1.21Å | 1.25Å | |
| C | O | sing | 1.34Å | 1.25Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| OAC | HAC | sing | 0.97Å | 0.95Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB1C | sing | 1.09Å | 1.10Å | |
| CB | HB2C | sing | 1.09Å | 1.10Å | |
| O | H | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAH | CAF | CAP | 119.4° | 119.8° |
| CAF | CAH | CAQ | 119.2° | 118.3° |
| CAH | CAF | HAF | 120.3° | 120.1° |
| CAF | CAH | HAH | 120.4° | 120.9° |
| CAF | CAP | NAK | 120.3° | 121.5° |
| CAF | CAP | CAN | 120.0° | 119.2° |
| CAP | CAF | HAF | 120.3° | 120.1° |
| CAH | CAQ | CAG | 120.4° | 121.3° |
| CAH | CAQ | CAR | 119.4° | 119.1° |
| CAQ | CAH | HAH | 120.4° | 120.9° |
| CAG | CAQ | CAR | 120.1° | 119.6° |
| CAQ | CAG | CAD | 119.9° | 119.8° |
| CAQ | CAG | HAG | 120.0° | 120.2° |
| CAQ | CAR | CAO | 119.8° | 119.0° |
| CAQ | CAR | NAK | 120.1° | 120.0° |
| CAG | CAD | CAE | 120.2° | 121.0° |
| CAD | CAG | HAG | 120.0° | 120.0° |
| CAG | CAD | HAD | 119.9° | 119.6° |
| CAD | CAE | CAO | 120.0° | 121.0° |
| CAE | CAD | HAD | 119.9° | 119.5° |
| CAD | CAE | HAE | 120.0° | 119.5° |
| CAE | CAO | OAC | 119.6° | 120.2° |
| CAE | CAO | CAR | 120.0° | 119.7° |
| CAO | CAE | HAE | 120.0° | 119.5° |
| OAC | CAO | CAR | 120.3° | 120.2° |
| CAO | OAC | HAC | 109.5° | 114.0° |
| CAO | CAR | NAK | 120.1° | 121.0° |
| CAR | NAK | CAP | 121.6° | 121.3° |
| NAK | CAP | CAN | 119.7° | 119.3° |
| CAP | CAN | N | 128.0° | 125.0° |
| CAP | CAN | SAL | 122.5° | 125.0° |
| N | CAN | SAL | 109.5° | 110.0° |
| CAN | N | CA | 112.9° | 119.9° |
| CAN | SAL | CB | 94.5° | 95.6° |
| N | CA | CB | 108.2° | 111.2° |
| N | CA | C | 113.2° | 109.1° |
| N | CA | HA | 108.0° | 109.1° |
| SAL | CB | CA | 97.4° | 103.3° |
| SAL | CB | HB1C | 112.4° | 110.7° |
| SAL | CB | HB2C | 112.4° | 110.7° |
| CB | CA | C | 112.2° | 109.1° |
| CB | CA | HA | 107.5° | 109.3° |
| CA | CB | HB1C | 112.4° | 110.5° |
| CA | CB | HB2C | 112.4° | 110.8° |
| CA | C | OXT | 115.6° | 120.0° |
| CA | C | O | 118.8° | 120.0° |
| C | CA | HA | 107.5° | 109.1° |
| OXT | C | O | 125.7° | 120.0° |
| C | O | H | 109.5° | 117.0° |
| HB1C | CB | HB2C | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAH | CAF | CAP | HAF | 180.0° | 179.8° |
| CAF | CAH | CAQ | HAH | 180.0° | 180.0° |
| CAF | CAH | CAQ | CAG | 179.9° | 180.0° |
| CAF | CAH | CAQ | CAR | 0.2° | 0.0° |
| CAH | CAF | CAP | NAK | 0.8° | 0.1° |
| CAH | CAF | CAP | CAN | 179.5° | 180.0° |
| CAP | CAF | CAH | CAQ | 0.6° | 0.0° |
| CAF | CAP | NAK | CAR | 0.7° | 0.1° |
| CAF | CAP | NAK | CAN | 178.7° | 179.9° |
| CAF | CAP | CAN | N | 16.6° | 0.0° |
| CAF | CAP | CAN | SAL | 163.2° | 179.7° |
| CAP | CAF | CAH | HAH | 179.4° | 180.0° |
| CAH | CAQ | CAG | CAR | 179.9° | 180.0° |
| CAH | CAQ | CAG | CAD | 179.9° | 180.0° |
| CAH | CAQ | CAR | CAO | 180.0° | 180.0° |
| CAH | CAQ | CAR | NAK | 0.0° | 0.0° |
| CAQ | CAH | CAF | HAF | 179.4° | 179.8° |
| CAH | CAQ | CAG | HAG | 0.1° | 0.0° |
| CAQ | CAG | CAD | HAG | 180.0° | 180.0° |
| CAQ | CAG | CAD | CAE | 0.1° | 0.1° |
| CAG | CAQ | CAR | CAO | 0.2° | 0.0° |
| CAG | CAQ | CAR | NAK | 179.9° | 179.9° |
| CAG | CAQ | CAH | HAH | 0.1° | 0.0° |
| CAQ | CAG | CAD | HAD | 179.9° | 180.0° |
| CAR | CAQ | CAG | CAD | 0.1° | 0.0° |
| CAQ | CAR | CAO | CAE | 0.1° | 0.0° |
| CAQ | CAR | CAO | OAC | 179.9° | 180.0° |
| CAQ | CAR | CAO | NAK | 179.9° | 179.9° |
| CAQ | CAR | NAK | CAP | 0.3° | 0.1° |
| CAR | CAQ | CAH | HAH | 179.8° | 180.0° |
| CAR | CAQ | CAG | HAG | 180.0° | 180.0° |
| CAG | CAD | CAE | HAD | 180.0° | 179.9° |
| CAG | CAD | CAE | CAO | 0.1° | 0.1° |
| CAG | CAD | CAE | HAE | 179.9° | 180.0° |
| CAD | CAE | CAO | HAE | 180.0° | 179.9° |
| CAD | CAE | CAO | OAC | 179.9° | 180.0° |
| CAD | CAE | CAO | CAR | 0.0° | 0.1° |
| CAE | CAD | CAG | HAG | 179.9° | 179.9° |
| CAE | CAO | OAC | CAR | 179.9° | 179.9° |
| CAE | CAO | CAR | NAK | 180.0° | 180.0° |
| CAO | CAE | CAD | HAD | 179.8° | 180.0° |
| CAE | CAO | OAC | HAC | 180.0° | 90.0° |
| OAC | CAO | CAR | NAK | 0.0° | 0.1° |
| OAC | CAO | CAE | HAE | 0.1° | 0.0° |
| CAO | CAR | NAK | CAP | 179.8° | 180.0° |
| CAR | CAO | CAE | HAE | 180.0° | 180.0° |
| CAR | CAO | OAC | HAC | 0.0° | 90.0° |
| CAR | NAK | CAP | CAN | 179.3° | 180.0° |
| NAK | CAP | CAN | N | 162.1° | 179.9° |
| NAK | CAP | CAN | SAL | 18.1° | 0.4° |
| NAK | CAP | CAF | HAF | 179.2° | 179.7° |
| CAP | CAN | N | SAL | 179.8° | 179.7° |
| CAP | CAN | N | CA | 177.1° | 180.0° |
| CAP | CAN | SAL | CB | 159.1° | 180.0° |
| CAN | CAP | CAF | HAF | 0.5° | 0.2° |
| N | CAN | SAL | CB | 20.7° | 0.3° |
| CAN | N | CA | CB | 31.4° | 0.1° |
| CAN | N | CA | C | 156.4° | 120.4° |
| CAN | N | CA | HA | 84.7° | 120.5° |
| SAL | CAN | N | CA | 3.0° | 0.2° |
| CAN | SAL | CB | CA | 34.8° | 0.2° |
| CAN | SAL | CB | HB1C | 83.1° | 118.4° |
| CAN | SAL | CB | HB2C | 152.8° | 118.4° |
| N | CA | CB | SAL | 41.2° | 0.1° |
| N | CA | CB | C | 125.5° | 120.4° |
| N | CA | CB | HA | 116.4° | 120.5° |
| N | CA | C | HA | 119.2° | 119.1° |
| N | CA | C | OXT | 173.3° | 18.5° |
| N | CA | C | O | 7.9° | 161.5° |
| N | CA | CB | HB1C | 76.8° | 118.5° |
| N | CA | CB | HB2C | 159.1° | 118.5° |
| SAL | CB | CA | HB1C | 118.0° | 118.4° |
| SAL | CB | CA | HB2C | 118.0° | 118.5° |
| SAL | CB | CA | C | 166.7° | 120.3° |
| SAL | CB | CA | HA | 75.3° | 120.6° |
| SAL | CB | HB1C | HB2C | 125.6° | 123.1° |
| CB | CA | C | HA | 118.0° | 119.3° |
| CB | CA | C | OXT | 50.5° | 103.1° |
| CB | CA | C | O | 130.6° | 76.9° |
| CA | CB | HB1C | HB2C | 125.7° | 123.1° |
| CA | C | OXT | O | 178.8° | 180.0° |
| C | CA | CB | HB1C | 48.7° | 1.9° |
| C | CA | CB | HB2C | 75.3° | 121.2° |
| CA | C | O | H | 178.7° | 180.0° |
| OXT | C | CA | HA | 67.5° | 137.7° |
| OXT | C | O | H | 0.0° | 0.1° |
| O | C | CA | HA | 111.3° | 42.4° |
| HAF | CAF | CAH | HAH | 0.6° | 0.2° |
| HAG | CAG | CAD | HAD | 0.1° | 0.0° |
| HAD | CAD | CAE | HAE | 0.1° | 0.1° |
| HA | CA | CB | HB1C | 166.7° | 121.0° |
| HA | CA | CB | HB2C | 42.7° | 2.0° |
