GWD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAQ | CAH | doub | 1.40Å | 1.39Å | Aromatic |
| CAH | CAO | sing | 1.38Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAO | CAM | doub | 1.39Å | 1.39Å | Aromatic |
| CAO | BRAC | sing | 1.89Å | 1.89Å | |
| CAP | CAM | sing | 1.39Å | 1.39Å | Aromatic |
| CAM | OAB | sing | 1.36Å | 1.36Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| CAI | CAP | doub | 1.38Å | 1.40Å | Aromatic |
| CAP | BRAD | sing | 1.89Å | 1.89Å | |
| CAQ | CAI | sing | 1.40Å | 1.39Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAF | CAQ | sing | 1.47Å | 1.39Å | |
| CAS | CAF | doub | 1.36Å | 1.39Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAR | CAS | sing | 1.47Å | 1.39Å | |
| CAU | CAS | sing | 1.48Å | 1.40Å | |
| CAT | CAU | doub | 1.40Å | 1.40Å | Aromatic |
| CAU | CAK | sing | 1.39Å | 1.39Å | Aromatic |
| CAN | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAG | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | IAE | sing | 2.10Å | 2.10Å | |
| CAJ | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAJ | CAT | sing | 1.39Å | 1.40Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| NAL | CAT | sing | 1.39Å | 1.33Å | |
| NAL | CAR | sing | 1.34Å | 1.33Å | |
| NAL | HNAL | sing | 0.97Å | 1.00Å | |
| OAA | CAR | doub | 1.22Å | 1.23Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAQ | CAH | CAO | 120.8° | 119.9° |
| CAQ | CAH | HAH | 119.6° | 120.1° |
| CAH | CAQ | CAI | 119.4° | 119.8° |
| CAH | CAQ | CAF | 116.7° | 120.1° |
| CAO | CAH | HAH | 119.6° | 120.0° |
| CAH | CAO | CAM | 119.5° | 120.1° |
| CAH | CAO | BRAC | 120.0° | 119.9° |
| CAM | CAO | BRAC | 120.2° | 120.0° |
| CAO | CAM | CAP | 120.2° | 120.3° |
| CAO | CAM | OAB | 119.3° | 119.8° |
| CAP | CAM | OAB | 120.5° | 119.9° |
| CAM | CAP | CAI | 120.2° | 120.1° |
| CAM | CAP | BRAD | 120.2° | 119.9° |
| CAM | OAB | HOAB | 109.5° | 114.1° |
| CAI | CAP | BRAD | 119.6° | 119.9° |
| CAP | CAI | CAQ | 119.8° | 119.9° |
| CAP | CAI | HAI | 120.1° | 120.1° |
| CAQ | CAI | HAI | 120.1° | 120.1° |
| CAI | CAQ | CAF | 123.9° | 120.1° |
| CAQ | CAF | CAS | 130.9° | 120.0° |
| CAQ | CAF | HAF | 114.6° | 120.0° |
| CAS | CAF | HAF | 114.5° | 120.0° |
| CAF | CAS | CAR | 120.5° | 127.5° |
| CAF | CAS | CAU | 132.8° | 127.5° |
| CAR | CAS | CAU | 106.5° | 105.0° |
| CAS | CAR | NAL | 109.7° | 107.9° |
| CAS | CAR | OAA | 124.3° | 126.0° |
| CAS | CAU | CAT | 105.3° | 106.4° |
| CAS | CAU | CAK | 135.1° | 133.3° |
| CAT | CAU | CAK | 119.6° | 120.3° |
| CAU | CAT | CAJ | 119.8° | 119.2° |
| CAU | CAT | NAL | 110.0° | 109.2° |
| CAU | CAK | CAN | 120.5° | 119.8° |
| CAU | CAK | HAK | 119.7° | 120.1° |
| CAN | CAK | HAK | 119.8° | 120.2° |
| CAK | CAN | CAG | 120.0° | 120.1° |
| CAK | CAN | IAE | 120.3° | 120.0° |
| CAG | CAN | IAE | 119.5° | 120.0° |
| CAN | CAG | CAJ | 119.7° | 120.6° |
| CAN | CAG | HAG | 120.2° | 119.7° |
| CAJ | CAG | HAG | 120.1° | 119.6° |
| CAG | CAJ | CAT | 120.4° | 120.1° |
| CAG | CAJ | HAJ | 119.8° | 119.9° |
| CAT | CAJ | HAJ | 119.8° | 120.0° |
| CAJ | CAT | NAL | 130.2° | 131.6° |
| CAT | NAL | CAR | 108.5° | 111.4° |
| CAT | NAL | HNAL | 125.8° | 124.3° |
| CAR | NAL | HNAL | 125.8° | 124.3° |
| NAL | CAR | OAA | 126.0° | 126.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAQ | CAH | CAO | HAH | 180.0° | 179.7° |
| CAQ | CAH | CAO | CAM | 0.9° | 0.3° |
| CAQ | CAH | CAO | BRAC | 173.3° | 179.7° |
| CAH | CAQ | CAI | CAP | 0.1° | 0.6° |
| CAH | CAQ | CAI | CAF | 177.9° | 179.4° |
| CAH | CAQ | CAI | HAI | 179.9° | 179.7° |
| CAH | CAQ | CAF | CAS | 179.6° | 136.1° |
| CAH | CAQ | CAF | HAF | 0.3° | 43.9° |
| CAH | CAO | CAM | BRAC | 174.2° | 180.0° |
| CAH | CAO | CAM | CAP | 0.9° | 0.0° |
| CAH | CAO | CAM | OAB | 178.4° | 180.0° |
| CAO | CAH | CAQ | CAI | 0.5° | 0.6° |
| CAO | CAH | CAQ | CAF | 177.6° | 180.0° |
| HAH | CAH | CAO | CAM | 179.1° | 180.0° |
| HAH | CAH | CAO | BRAC | 6.7° | 0.0° |
| HAH | CAH | CAQ | CAI | 179.5° | 179.7° |
| HAH | CAH | CAQ | CAF | 2.4° | 0.3° |
| CAO | CAM | CAP | OAB | 179.3° | 179.9° |
| CAO | CAM | OAB | HOAB | 79.8° | 90.0° |
| CAO | CAM | CAP | CAI | 0.5° | 0.1° |
| CAO | CAM | CAP | BRAD | 177.4° | 180.0° |
| BRAC | CAO | CAM | CAP | 173.3° | 179.9° |
| BRAC | CAO | CAM | OAB | 7.4° | 0.0° |
| CAP | CAM | OAB | HOAB | 100.9° | 89.9° |
| CAM | CAP | CAI | BRAD | 177.9° | 179.9° |
| CAM | CAP | CAI | CAQ | 0.1° | 0.3° |
| CAM | CAP | CAI | HAI | 179.9° | 180.0° |
| OAB | CAM | CAP | CAI | 178.8° | 180.0° |
| OAB | CAM | CAP | BRAD | 3.3° | 0.1° |
| CAP | CAI | CAQ | HAI | 180.0° | 179.7° |
| CAP | CAI | CAQ | CAF | 177.9° | 180.0° |
| BRAD | CAP | CAI | CAQ | 177.8° | 179.7° |
| BRAD | CAP | CAI | HAI | 2.2° | 0.0° |
| CAI | CAQ | CAF | CAS | 1.6° | 44.5° |
| CAI | CAQ | CAF | HAF | 178.3° | 135.5° |
| HAI | CAI | CAQ | CAF | 2.1° | 0.3° |
| CAQ | CAF | CAS | HAF | 180.0° | 180.0° |
| CAQ | CAF | CAS | CAR | 179.8° | 170.1° |
| CAQ | CAF | CAS | CAU | 6.1° | 10.2° |
| CAF | CAS | CAR | CAU | 175.5° | 179.7° |
| CAF | CAS | CAU | CAT | 175.2° | 180.0° |
| CAF | CAS | CAU | CAK | 5.6° | 0.0° |
| CAF | CAS | CAR | NAL | 175.9° | 179.8° |
| CAF | CAS | CAR | OAA | 1.0° | 0.3° |
| HAF | CAF | CAS | CAR | 0.2° | 9.8° |
| HAF | CAF | CAS | CAU | 173.9° | 169.8° |
| CAR | CAS | CAU | CAT | 0.5° | 0.3° |
| CAR | CAS | CAU | CAK | 179.7° | 179.7° |
| CAS | CAR | NAL | CAT | 0.2° | 0.5° |
| CAS | CAR | NAL | OAA | 176.8° | 179.5° |
| CAS | CAR | NAL | HNAL | 179.8° | 179.8° |
| CAS | CAU | CAT | CAK | 179.4° | 180.0° |
| CAS | CAU | CAK | CAN | 178.9° | 180.0° |
| CAS | CAU | CAK | HAK | 1.1° | 0.0° |
| CAS | CAU | CAT | CAJ | 180.0° | 180.0° |
| CAS | CAU | CAT | NAL | 0.4° | 0.0° |
| CAU | CAS | CAR | NAL | 0.5° | 0.5° |
| CAU | CAS | CAR | OAA | 176.4° | 180.0° |
| CAT | CAU | CAK | CAN | 0.2° | 0.0° |
| CAT | CAU | CAK | HAK | 179.8° | 180.0° |
| CAU | CAT | CAJ | CAG | 0.4° | 0.0° |
| CAU | CAT | CAJ | NAL | 179.6° | 180.0° |
| CAU | CAT | CAJ | HAJ | 179.6° | 180.0° |
| CAU | CAT | NAL | CAR | 0.1° | 0.3° |
| CAU | CAT | NAL | HNAL | 179.9° | 180.0° |
| CAU | CAK | CAN | HAK | 180.0° | 180.0° |
| CAU | CAK | CAN | CAG | 1.3° | 0.0° |
| CAU | CAK | CAN | IAE | 174.5° | 180.0° |
| CAK | CAU | CAT | CAJ | 0.6° | 0.0° |
| CAK | CAU | CAT | NAL | 179.7° | 180.0° |
| CAK | CAN | CAG | IAE | 175.8° | 180.0° |
| CAK | CAN | CAG | CAJ | 1.4° | 0.0° |
| CAK | CAN | CAG | HAG | 178.5° | 179.9° |
| HAK | CAK | CAN | CAG | 178.7° | 180.0° |
| HAK | CAK | CAN | IAE | 5.5° | 0.0° |
| CAN | CAG | CAJ | HAG | 180.0° | 179.9° |
| CAN | CAG | CAJ | CAT | 0.6° | 0.0° |
| CAN | CAG | CAJ | HAJ | 179.4° | 180.0° |
| IAE | CAN | CAG | CAJ | 174.4° | 180.0° |
| IAE | CAN | CAG | HAG | 5.7° | 0.1° |
| CAG | CAJ | CAT | HAJ | 180.0° | 180.0° |
| CAG | CAJ | CAT | NAL | 180.0° | 180.0° |
| HAG | CAG | CAJ | CAT | 179.4° | 179.9° |
| HAG | CAG | CAJ | HAJ | 0.6° | 0.1° |
| CAJ | CAT | NAL | CAR | 179.7° | 179.6° |
| CAJ | CAT | NAL | HNAL | 0.3° | 0.0° |
| HAJ | CAJ | CAT | NAL | 0.0° | 0.0° |
| CAT | NAL | CAR | HNAL | 180.0° | 179.7° |
| CAT | NAL | CAR | OAA | 176.6° | 180.0° |
| HNAL | NAL | CAR | OAA | 3.4° | 0.3° |
