GRI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAM | CAA | sing | 1.43Å | 1.47Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| OAB | CAN | doub | 1.22Å | 1.30Å | |
| OAC | CAJ | doub | 1.21Å | 1.49Å | |
| CAN | OAD | sing | 1.35Å | 1.31Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| CAF | CAE | doub | 1.39Å | 1.38Å | Aromatic |
| CAE | CAI | sing | 1.36Å | 1.37Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | CAQ | sing | 1.39Å | 1.38Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAO | CAG | doub | 1.39Å | 1.41Å | Aromatic |
| CAH | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAP | CAH | doub | 1.38Å | 1.41Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAR | doub | 1.41Å | 1.41Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAO | CAJ | sing | 1.46Å | 1.54Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAR | NAK | sing | 1.33Å | 1.34Å | Aromatic |
| NAK | CAS | doub | 1.32Å | 1.38Å | Aromatic |
| CAT | NAL | sing | 1.33Å | 1.37Å | Aromatic |
| NAL | CAU | doub | 1.33Å | 1.34Å | Aromatic |
| OAM | CAP | sing | 1.35Å | 1.40Å | |
| CAN | CAQ | sing | 1.47Å | 1.46Å | |
| CAS | CAO | sing | 1.47Å | 1.39Å | Aromatic |
| CAU | CAP | sing | 1.46Å | 1.40Å | Aromatic |
| CAQ | CAT | doub | 1.47Å | 1.37Å | Aromatic |
| CAT | CAR | sing | 1.47Å | 1.40Å | Aromatic |
| CAU | CAS | sing | 1.47Å | 1.41Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAM | CAA | HAA | 109.5° | 109.4° |
| OAM | CAA | HAAA | 109.5° | 109.5° |
| OAM | CAA | HAAB | 109.5° | 109.5° |
| CAA | OAM | CAP | 128.2° | 116.9° |
| HAA | CAA | HAAA | 109.5° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.4° | 109.5° |
| OAB | CAN | OAD | 121.5° | 120.0° |
| OAB | CAN | CAQ | 117.4° | 120.0° |
| OAC | CAJ | CAO | 119.9° | 120.0° |
| OAC | CAJ | HAJ | 120.0° | 120.0° |
| CAN | OAD | HOAD | 109.5° | 117.0° |
| OAD | CAN | CAQ | 121.0° | 120.0° |
| CAF | CAE | CAI | 118.9° | 122.6° |
| CAF | CAE | HAE | 120.6° | 118.8° |
| CAE | CAF | CAQ | 121.1° | 121.3° |
| CAE | CAF | HAF | 119.4° | 119.4° |
| CAI | CAE | HAE | 120.5° | 118.7° |
| CAE | CAI | CAR | 119.8° | 120.6° |
| CAE | CAI | HAI | 120.1° | 119.8° |
| CAQ | CAF | HAF | 119.4° | 119.3° |
| CAF | CAQ | CAN | 116.0° | 120.7° |
| CAF | CAQ | CAT | 121.7° | 118.6° |
| CAO | CAG | CAH | 120.6° | 122.0° |
| CAO | CAG | HAG | 119.7° | 119.0° |
| CAG | CAO | CAJ | 119.0° | 120.3° |
| CAG | CAO | CAS | 120.4° | 119.3° |
| CAH | CAG | HAG | 119.7° | 119.0° |
| CAG | CAH | CAP | 119.2° | 122.3° |
| CAG | CAH | HAH | 120.4° | 118.8° |
| CAP | CAH | HAH | 120.4° | 118.9° |
| CAH | CAP | OAM | 121.1° | 120.2° |
| CAH | CAP | CAU | 119.3° | 119.7° |
| CAR | CAI | HAI | 120.1° | 119.7° |
| CAI | CAR | NAK | 121.9° | 121.2° |
| CAI | CAR | CAT | 121.0° | 118.8° |
| CAO | CAJ | HAJ | 120.1° | 120.0° |
| CAJ | CAO | CAS | 120.6° | 120.4° |
| CAR | NAK | CAS | 122.2° | 119.4° |
| NAK | CAR | CAT | 117.1° | 120.1° |
| NAK | CAS | CAO | 121.9° | 121.3° |
| NAK | CAS | CAU | 119.4° | 120.4° |
| CAT | NAL | CAU | 121.2° | 119.4° |
| NAL | CAT | CAQ | 121.4° | 121.3° |
| NAL | CAT | CAR | 121.2° | 120.4° |
| NAL | CAU | CAP | 119.7° | 121.4° |
| NAL | CAU | CAS | 118.4° | 120.2° |
| OAM | CAP | CAU | 119.6° | 120.1° |
| CAN | CAQ | CAT | 122.2° | 120.7° |
| CAO | CAS | CAU | 118.7° | 118.3° |
| CAP | CAU | CAS | 121.8° | 118.4° |
| CAQ | CAT | CAR | 117.3° | 118.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAM | CAA | HAA | HAAA | 120.0° | 120.0° |
| OAM | CAA | HAA | HAAB | 120.0° | 120.0° |
| OAM | CAA | HAAA | HAAB | 120.0° | 120.1° |
| CAA | OAM | CAP | CAH | 4.0° | 0.0° |
| CAA | OAM | CAP | CAU | 175.7° | 179.9° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.0° |
| HAA | CAA | OAM | CAP | 180.0° | 180.0° |
| HAAA | CAA | OAM | CAP | 60.0° | 60.0° |
| HAAB | CAA | OAM | CAP | 60.0° | 60.0° |
| OAB | CAN | OAD | CAQ | 175.4° | 179.9° |
| OAB | CAN | OAD | HOAD | 0.0° | 0.0° |
| OAB | CAN | CAQ | CAF | 5.0° | 180.0° |
| OAB | CAN | CAQ | CAT | 175.9° | 0.0° |
| OAC | CAJ | CAO | CAG | 136.6° | 0.0° |
| OAC | CAJ | CAO | HAJ | 180.0° | 179.9° |
| OAC | CAJ | CAO | CAS | 45.5° | 180.0° |
| OAD | CAN | CAQ | CAF | 170.5° | 0.1° |
| OAD | CAN | CAQ | CAT | 8.6° | 180.0° |
| HOAD | OAD | CAN | CAQ | 175.4° | 180.0° |
| CAF | CAE | CAI | HAE | 180.0° | 179.6° |
| CAE | CAF | CAQ | HAF | 180.0° | 179.9° |
| CAF | CAE | CAI | CAR | 3.1° | 0.4° |
| CAF | CAE | CAI | HAI | 176.9° | 179.7° |
| CAE | CAF | CAQ | CAN | 178.0° | 180.0° |
| CAE | CAF | CAQ | CAT | 1.0° | 0.0° |
| CAI | CAE | CAF | CAQ | 1.8° | 0.1° |
| CAI | CAE | CAF | HAF | 178.2° | 180.0° |
| CAE | CAI | CAR | HAI | 180.0° | 179.9° |
| CAE | CAI | CAR | NAK | 178.8° | 179.9° |
| CAE | CAI | CAR | CAT | 3.6° | 0.6° |
| HAE | CAE | CAF | CAQ | 178.2° | 179.7° |
| HAE | CAE | CAF | HAF | 1.9° | 0.4° |
| HAE | CAE | CAI | CAR | 176.9° | 180.0° |
| HAE | CAE | CAI | HAI | 3.1° | 0.1° |
| CAF | CAQ | CAT | NAL | 179.6° | 180.0° |
| CAF | CAQ | CAN | CAT | 179.1° | 180.0° |
| CAF | CAQ | CAT | CAR | 1.5° | 0.3° |
| HAF | CAF | CAQ | CAN | 2.0° | 0.1° |
| HAF | CAF | CAQ | CAT | 179.0° | 180.0° |
| CAO | CAG | CAH | HAG | 180.0° | 178.7° |
| CAO | CAG | CAH | CAP | 0.6° | 1.3° |
| CAO | CAG | CAH | HAH | 179.4° | 178.6° |
| CAG | CAO | CAJ | CAS | 177.9° | 180.0° |
| CAG | CAO | CAJ | HAJ | 43.4° | 180.0° |
| CAG | CAO | CAS | NAK | 179.6° | 180.0° |
| CAG | CAO | CAS | CAU | 0.4° | 0.9° |
| CAG | CAH | CAP | HAH | 180.0° | 180.0° |
| CAH | CAG | CAO | CAJ | 177.9° | 178.7° |
| CAG | CAH | CAP | OAM | 179.4° | 179.0° |
| CAH | CAG | CAO | CAS | 0.0° | 1.3° |
| CAG | CAH | CAP | CAU | 0.9° | 0.9° |
| HAG | CAG | CAH | CAP | 179.4° | 180.0° |
| HAG | CAG | CAH | HAH | 0.6° | 0.0° |
| HAG | CAG | CAO | CAJ | 2.1° | 0.1° |
| HAG | CAG | CAO | CAS | 180.0° | 179.9° |
| CAH | CAP | CAU | NAL | 177.6° | 179.9° |
| CAH | CAP | OAM | CAU | 179.7° | 179.9° |
| CAH | CAP | CAU | CAS | 0.6° | 0.5° |
| HAH | CAH | CAP | OAM | 0.6° | 1.0° |
| HAH | CAH | CAP | CAU | 179.1° | 179.0° |
| CAI | CAR | NAK | CAT | 177.6° | 179.5° |
| CAI | CAR | NAK | CAS | 175.9° | 180.0° |
| CAI | CAR | CAT | NAL | 178.3° | 179.7° |
| CAI | CAR | CAT | CAQ | 2.7° | 0.5° |
| HAI | CAI | CAR | NAK | 1.2° | 0.0° |
| HAI | CAI | CAR | CAT | 176.4° | 179.5° |
| CAJ | CAO | CAS | NAK | 1.7° | 0.0° |
| CAJ | CAO | CAS | CAU | 178.2° | 179.2° |
| HAJ | CAJ | CAO | CAS | 134.5° | 0.0° |
| NAK | CAR | CAT | NAL | 0.7° | 0.2° |
| CAR | NAK | CAS | CAO | 172.9° | 180.0° |
| NAK | CAR | CAT | CAQ | 179.6° | 180.0° |
| CAR | NAK | CAS | CAU | 7.0° | 0.8° |
| NAK | CAS | CAU | NAL | 1.6° | 0.9° |
| NAK | CAS | CAO | CAU | 179.9° | 179.2° |
| NAK | CAS | CAU | CAP | 179.9° | 179.7° |
| CAS | NAK | CAR | CAT | 6.4° | 0.5° |
| NAL | CAT | CAQ | CAN | 1.4° | 0.0° |
| CAT | NAL | CAU | CAP | 174.3° | 180.0° |
| NAL | CAT | CAQ | CAR | 178.9° | 179.7° |
| CAT | NAL | CAU | CAS | 4.0° | 0.6° |
| NAL | CAU | CAP | OAM | 2.1° | 0.0° |
| NAL | CAU | CAS | CAO | 178.3° | 179.9° |
| NAL | CAU | CAP | CAS | 178.2° | 179.4° |
| CAU | NAL | CAT | CAQ | 174.3° | 180.0° |
| CAU | NAL | CAT | CAR | 4.6° | 0.3° |
| OAM | CAP | CAU | CAS | 179.7° | 179.4° |
| CAN | CAQ | CAT | CAR | 177.6° | 179.8° |
| CAO | CAS | CAU | CAP | 0.1° | 0.5° |
