3MI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAM | OAA | sing | 1.35Å | 1.25Å | |
| OAA | HOAA | sing | 0.97Å | 0.95Å | |
| OAB | CAM | doub | 1.21Å | 1.25Å | |
| CAF | CAE | doub | 1.36Å | 1.39Å | Aromatic |
| CAP | CAE | sing | 1.40Å | 1.39Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAS | CAF | sing | 1.40Å | 1.38Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | CAN | doub | 1.38Å | 1.38Å | Aromatic |
| CAG | CAO | sing | 1.38Å | 1.38Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAN | CAH | sing | 1.38Å | 1.37Å | Aromatic |
| CAH | CAQ | doub | 1.40Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAO | CAI | doub | 1.38Å | 1.37Å | Aromatic |
| CAI | CAQ | sing | 1.40Å | 1.39Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAT | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAP | doub | 1.40Å | 1.41Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAR | NAK | doub | 1.31Å | 1.34Å | Aromatic |
| NAK | CAS | sing | 1.35Å | 1.34Å | Aromatic |
| CAR | OAL | sing | 1.35Å | 1.37Å | Aromatic |
| OAL | CAT | sing | 1.35Å | 1.36Å | Aromatic |
| CAP | CAM | sing | 1.47Å | 1.53Å | |
| CLC | CAN | sing | 1.74Å | 1.71Å | |
| CLD | CAO | sing | 1.74Å | 1.71Å | |
| CAQ | CAR | sing | 1.48Å | 1.40Å | Aromatic |
| CAT | CAS | doub | 1.41Å | 1.39Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAM | OAA | HOAA | 109.5° | 117.0° |
| OAA | CAM | OAB | 124.8° | 120.0° |
| OAA | CAM | CAP | 116.6° | 120.0° |
| OAB | CAM | CAP | 118.6° | 120.0° |
| CAF | CAE | CAP | 121.0° | 120.4° |
| CAF | CAE | HAE | 119.5° | 119.8° |
| CAE | CAF | CAS | 118.3° | 120.0° |
| CAE | CAF | HAF | 120.9° | 120.0° |
| CAP | CAE | HAE | 119.5° | 119.8° |
| CAE | CAP | CAJ | 121.5° | 120.2° |
| CAE | CAP | CAM | 117.4° | 119.9° |
| CAS | CAF | HAF | 120.9° | 120.0° |
| CAF | CAS | NAK | 131.1° | 133.4° |
| CAF | CAS | CAT | 120.5° | 119.9° |
| CAN | CAG | CAO | 120.6° | 120.3° |
| CAN | CAG | HAG | 119.7° | 119.8° |
| CAG | CAN | CAH | 120.7° | 120.1° |
| CAG | CAN | CLC | 119.5° | 119.9° |
| CAO | CAG | HAG | 119.7° | 119.9° |
| CAG | CAO | CAI | 120.6° | 120.1° |
| CAG | CAO | CLD | 119.9° | 119.9° |
| CAN | CAH | CAQ | 117.4° | 119.9° |
| CAN | CAH | HAH | 121.3° | 120.1° |
| CAH | CAN | CLC | 119.7° | 120.0° |
| CAQ | CAH | HAH | 121.3° | 120.0° |
| CAH | CAQ | CAI | 123.1° | 119.7° |
| CAH | CAQ | CAR | 118.9° | 120.2° |
| CAO | CAI | CAQ | 117.6° | 119.8° |
| CAO | CAI | HAI | 121.2° | 120.1° |
| CAI | CAO | CLD | 119.5° | 119.9° |
| CAQ | CAI | HAI | 121.2° | 120.0° |
| CAI | CAQ | CAR | 117.9° | 120.1° |
| CAT | CAJ | CAP | 116.3° | 119.6° |
| CAT | CAJ | HAJ | 121.9° | 120.2° |
| CAJ | CAT | OAL | 130.8° | 133.7° |
| CAJ | CAT | CAS | 122.2° | 119.9° |
| CAP | CAJ | HAJ | 121.8° | 120.2° |
| CAJ | CAP | CAM | 121.0° | 119.9° |
| CAR | NAK | CAS | 108.2° | 109.0° |
| NAK | CAR | OAL | 109.7° | 110.0° |
| NAK | CAR | CAQ | 129.4° | 125.0° |
| NAK | CAS | CAT | 108.3° | 106.7° |
| CAR | OAL | CAT | 106.8° | 108.0° |
| OAL | CAR | CAQ | 120.9° | 125.0° |
| OAL | CAT | CAS | 107.0° | 106.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAM | OAB | CAP | 178.8° | 179.9° |
| OAA | CAM | CAP | CAE | 18.1° | 0.1° |
| OAA | CAM | CAP | CAJ | 159.2° | 180.0° |
| HOAA | OAA | CAM | OAB | 0.0° | 0.0° |
| HOAA | OAA | CAM | CAP | 178.8° | 180.0° |
| OAB | CAM | CAP | CAE | 160.8° | 180.0° |
| OAB | CAM | CAP | CAJ | 21.9° | 0.1° |
| CAF | CAE | CAP | HAE | 180.0° | 179.8° |
| CAE | CAF | CAS | HAF | 180.0° | 180.0° |
| CAF | CAE | CAP | CAJ | 3.3° | 0.2° |
| CAE | CAF | CAS | NAK | 179.6° | 180.0° |
| CAF | CAE | CAP | CAM | 179.4° | 179.7° |
| CAE | CAF | CAS | CAT | 2.1° | 0.0° |
| CAP | CAE | CAF | CAS | 3.5° | 0.2° |
| CAP | CAE | CAF | HAF | 176.5° | 179.8° |
| CAE | CAP | CAJ | CAT | 1.5° | 0.0° |
| CAE | CAP | CAJ | CAM | 177.2° | 179.9° |
| CAE | CAP | CAJ | HAJ | 178.5° | 180.0° |
| HAE | CAE | CAF | CAS | 176.5° | 180.0° |
| HAE | CAE | CAF | HAF | 3.5° | 0.0° |
| HAE | CAE | CAP | CAJ | 176.7° | 180.0° |
| HAE | CAE | CAP | CAM | 0.6° | 0.1° |
| CAF | CAS | CAT | CAJ | 0.5° | 0.3° |
| CAF | CAS | NAK | CAR | 179.7° | 180.0° |
| CAF | CAS | NAK | CAT | 177.7° | 180.0° |
| CAF | CAS | CAT | OAL | 179.1° | 179.9° |
| HAF | CAF | CAS | NAK | 0.4° | 0.0° |
| HAF | CAF | CAS | CAT | 177.9° | 180.0° |
| CAN | CAG | CAO | HAG | 180.0° | 179.8° |
| CAG | CAN | CAH | CLC | 178.2° | 179.9° |
| CAG | CAN | CAH | CAQ | 1.2° | 0.1° |
| CAG | CAN | CAH | HAH | 178.8° | 180.0° |
| CAN | CAG | CAO | CAI | 0.1° | 0.1° |
| CAN | CAG | CAO | CLD | 179.2° | 180.0° |
| CAO | CAG | CAN | CAH | 0.6° | 0.1° |
| CAG | CAO | CAI | CLD | 179.0° | 179.9° |
| CAG | CAO | CAI | CAQ | 0.2° | 0.1° |
| CAG | CAO | CAI | HAI | 179.8° | 180.0° |
| CAO | CAG | CAN | CLC | 178.8° | 180.0° |
| HAG | CAG | CAN | CAH | 179.4° | 179.7° |
| HAG | CAG | CAO | CAI | 179.8° | 179.7° |
| HAG | CAG | CAN | CLC | 1.2° | 0.2° |
| HAG | CAG | CAO | CLD | 0.8° | 0.2° |
| CAN | CAH | CAQ | HAH | 180.0° | 180.0° |
| CAN | CAH | CAQ | CAI | 1.2° | 0.1° |
| CAN | CAH | CAQ | CAR | 179.3° | 179.9° |
| CAH | CAQ | CAI | CAO | 0.5° | 0.1° |
| CAH | CAQ | CAI | CAR | 178.1° | 180.0° |
| CAH | CAQ | CAI | HAI | 179.5° | 180.0° |
| CAH | CAQ | CAR | NAK | 17.2° | 0.0° |
| CAH | CAQ | CAR | OAL | 160.9° | 179.9° |
| CAQ | CAH | CAN | CLC | 179.4° | 180.0° |
| HAH | CAH | CAQ | CAI | 178.8° | 180.0° |
| HAH | CAH | CAN | CLC | 0.6° | 0.0° |
| HAH | CAH | CAQ | CAR | 0.7° | 0.0° |
| CAO | CAI | CAQ | HAI | 180.0° | 179.9° |
| CAO | CAI | CAQ | CAR | 178.7° | 179.9° |
| CAI | CAQ | CAR | NAK | 164.7° | 180.0° |
| CAI | CAQ | CAR | OAL | 17.2° | 0.0° |
| CAQ | CAI | CAO | CLD | 179.2° | 180.0° |
| HAI | CAI | CAO | CLD | 0.8° | 0.1° |
| HAI | CAI | CAQ | CAR | 1.3° | 0.0° |
| CAT | CAJ | CAP | HAJ | 180.0° | 179.9° |
| CAJ | CAT | CAS | NAK | 178.5° | 179.8° |
| CAJ | CAT | OAL | CAR | 179.4° | 179.7° |
| CAJ | CAT | OAL | CAS | 178.5° | 179.7° |
| CAT | CAJ | CAP | CAM | 178.7° | 180.0° |
| CAP | CAJ | CAT | OAL | 178.4° | 180.0° |
| CAP | CAJ | CAT | CAS | 0.1° | 0.3° |
| HAJ | CAJ | CAT | OAL | 1.6° | 0.1° |
| HAJ | CAJ | CAP | CAM | 1.3° | 0.1° |
| HAJ | CAJ | CAT | CAS | 179.9° | 179.8° |
| NAK | CAR | OAL | CAQ | 178.4° | 180.0° |
| NAK | CAR | OAL | CAT | 0.6° | 0.1° |
| CAR | NAK | CAS | CAT | 2.5° | 0.0° |
| CAS | NAK | CAR | OAL | 1.2° | 0.0° |
| NAK | CAS | CAT | OAL | 2.9° | 0.0° |
| CAS | NAK | CAR | CAQ | 179.5° | 180.0° |
| CAR | OAL | CAT | CAS | 2.1° | 0.0° |
| CAT | OAL | CAR | CAQ | 177.9° | 180.0° |
