3M1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAM | doub | 1.22Å | 1.24Å | |
| OAE | NAT | sing | 1.22Å | 1.37Å | |
| FAF | CAO | sing | 1.35Å | 1.33Å | |
| CAG | CAH | sing | 1.38Å | 1.37Å | Aromatic |
| CAH | CAJ | doub | 1.38Å | 1.38Å | Aromatic |
| CAI | CAG | doub | 1.38Å | 1.38Å | Aromatic |
| CAI | CAO | sing | 1.38Å | 1.41Å | Aromatic |
| CAK | CAN | sing | 1.38Å | 1.43Å | Aromatic |
| CAL | CAS | doub | 1.38Å | 1.33Å | Aromatic |
| CAM | CAQ | sing | 1.48Å | 1.50Å | |
| CAN | OAC | sing | 1.36Å | 1.35Å | |
| CAN | CAP | doub | 1.39Å | 1.38Å | Aromatic |
| CAO | CAR | doub | 1.40Å | 1.39Å | Aromatic |
| CAP | OAD | sing | 1.36Å | 1.36Å | |
| CAQ | CAK | doub | 1.40Å | 1.39Å | Aromatic |
| CAQ | CAL | sing | 1.40Å | 1.27Å | Aromatic |
| CAR | CAJ | sing | 1.40Å | 1.38Å | Aromatic |
| CAR | CAM | sing | 1.48Å | 1.46Å | |
| CAS | CAP | sing | 1.39Å | 1.37Å | Aromatic |
| CAS | NAT | sing | 1.48Å | 1.25Å | |
| NAT | OAB | doub | 1.22Å | 1.27Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAM | CAQ | 121.7° | 119.9° |
| OAA | CAM | CAR | 121.3° | 120.1° |
| OAE | NAT | CAS | 118.2° | 120.0° |
| OAE | NAT | OAB | 122.3° | 120.0° |
| FAF | CAO | CAI | 120.5° | 120.2° |
| FAF | CAO | CAR | 120.5° | 120.1° |
| CAG | CAH | CAJ | 123.7° | 120.2° |
| CAH | CAG | CAI | 116.8° | 120.4° |
| CAH | CAG | HAG | 121.6° | 119.9° |
| CAG | CAH | HAH | 118.2° | 119.9° |
| CAH | CAJ | CAR | 119.1° | 119.9° |
| CAJ | CAH | HAH | 118.2° | 119.9° |
| CAH | CAJ | HAJ | 120.5° | 120.1° |
| CAG | CAI | CAO | 121.6° | 120.1° |
| CAI | CAG | HAG | 121.6° | 119.8° |
| CAG | CAI | HAI | 119.2° | 120.0° |
| CAI | CAO | CAR | 119.0° | 119.8° |
| CAO | CAI | HAI | 119.2° | 119.9° |
| CAK | CAN | OAC | 121.9° | 120.0° |
| CAK | CAN | CAP | 118.3° | 120.0° |
| CAN | CAK | CAQ | 118.4° | 119.9° |
| CAN | CAK | HAK | 120.8° | 120.1° |
| CAS | CAL | CAQ | 119.3° | 120.0° |
| CAL | CAS | CAP | 125.1° | 120.1° |
| CAL | CAS | NAT | 105.4° | 120.0° |
| CAS | CAL | HAL | 120.4° | 120.0° |
| CAM | CAQ | CAK | 131.7° | 120.1° |
| CAM | CAQ | CAL | 106.1° | 120.1° |
| CAQ | CAM | CAR | 117.0° | 120.0° |
| OAC | CAN | CAP | 119.8° | 120.0° |
| CAN | OAC | HOAC | 109.5° | 114.0° |
| CAN | CAP | OAD | 124.1° | 119.9° |
| CAN | CAP | CAS | 116.5° | 120.2° |
| CAO | CAR | CAJ | 119.8° | 119.6° |
| CAO | CAR | CAM | 120.4° | 120.2° |
| OAD | CAP | CAS | 119.4° | 119.9° |
| CAP | OAD | HOAD | 109.5° | 113.9° |
| CAK | CAQ | CAL | 122.2° | 119.8° |
| CAQ | CAK | HAK | 120.8° | 120.1° |
| CAQ | CAL | HAL | 120.3° | 120.0° |
| CAJ | CAR | CAM | 119.8° | 120.2° |
| CAR | CAJ | HAJ | 120.4° | 120.0° |
| CAP | CAS | NAT | 129.4° | 119.9° |
| CAS | NAT | OAB | 118.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAM | CAQ | CAR | 178.3° | 179.9° |
| OAA | CAM | CAR | CAO | 40.4° | 104.1° |
| OAA | CAM | CAQ | CAK | 160.9° | 174.6° |
| OAA | CAM | CAQ | CAL | 20.0° | 5.5° |
| OAA | CAM | CAR | CAJ | 139.1° | 75.6° |
| OAE | NAT | CAS | CAL | 4.4° | 0.0° |
| OAE | NAT | CAS | CAP | 173.2° | 179.2° |
| OAE | NAT | CAS | OAB | 170.5° | 180.0° |
| FAF | CAO | CAI | CAG | 179.5° | 180.0° |
| FAF | CAO | CAI | CAR | 178.1° | 179.5° |
| FAF | CAO | CAR | CAJ | 178.3° | 179.7° |
| FAF | CAO | CAR | CAM | 1.2° | 0.0° |
| FAF | CAO | CAI | HAI | 0.5° | 0.0° |
| CAG | CAH | CAJ | HAH | 180.0° | 179.9° |
| CAH | CAG | CAI | HAG | 180.0° | 179.6° |
| CAH | CAG | CAI | CAO | 2.9° | 0.0° |
| CAG | CAH | CAJ | CAR | 3.0° | 0.1° |
| CAH | CAG | CAI | HAI | 177.1° | 180.0° |
| CAG | CAH | CAJ | HAJ | 177.1° | 180.0° |
| CAJ | CAH | CAG | CAI | 5.1° | 0.3° |
| CAH | CAJ | CAR | CAO | 1.6° | 0.5° |
| CAH | CAJ | CAR | HAJ | 180.0° | 179.9° |
| CAH | CAJ | CAR | CAM | 178.9° | 179.8° |
| CAJ | CAH | CAG | HAG | 174.9° | 180.0° |
| CAG | CAI | CAO | HAI | 180.0° | 180.0° |
| CAG | CAI | CAO | CAR | 1.4° | 0.5° |
| CAI | CAG | CAH | HAH | 174.9° | 179.7° |
| CAI | CAO | CAR | CAJ | 3.7° | 0.8° |
| CAI | CAO | CAR | CAM | 176.9° | 179.5° |
| CAO | CAI | CAG | HAG | 177.1° | 179.7° |
| CAN | CAK | CAQ | CAM | 178.6° | 180.0° |
| CAK | CAN | OAC | CAP | 179.8° | 180.0° |
| CAK | CAN | CAP | OAD | 179.9° | 179.9° |
| CAN | CAK | CAQ | HAK | 180.0° | 179.7° |
| CAN | CAK | CAQ | CAL | 0.4° | 0.0° |
| CAK | CAN | CAP | CAS | 0.3° | 0.0° |
| CAK | CAN | OAC | HOAC | 180.0° | 90.0° |
| CAS | CAL | CAQ | CAM | 179.6° | 179.4° |
| CAL | CAS | CAP | CAN | 1.1° | 0.6° |
| CAL | CAS | CAP | OAD | 179.3° | 179.5° |
| CAS | CAL | CAQ | CAK | 0.4° | 0.5° |
| CAS | CAL | CAQ | HAL | 180.0° | 179.2° |
| CAL | CAS | CAP | NAT | 177.2° | 179.2° |
| CAL | CAS | NAT | OAB | 174.9° | 180.0° |
| CAQ | CAM | CAR | CAO | 141.3° | 75.9° |
| CAM | CAQ | CAK | CAL | 179.0° | 180.0° |
| CAQ | CAM | CAR | CAJ | 39.3° | 104.3° |
| CAM | CAQ | CAK | HAK | 1.4° | 0.3° |
| CAM | CAQ | CAL | HAL | 0.4° | 0.3° |
| OAC | CAN | CAP | OAD | 0.0° | 0.1° |
| OAC | CAN | CAK | CAQ | 179.7° | 179.7° |
| OAC | CAN | CAP | CAS | 179.6° | 180.0° |
| OAC | CAN | CAK | HAK | 0.3° | 0.0° |
| CAN | CAP | OAD | CAS | 179.6° | 179.9° |
| CAP | CAN | CAK | CAQ | 0.4° | 0.3° |
| CAN | CAP | CAS | NAT | 178.3° | 179.7° |
| CAP | CAN | OAC | HOAC | 0.1° | 90.0° |
| CAN | CAP | OAD | HOAD | 177.4° | 90.0° |
| CAP | CAN | CAK | HAK | 179.6° | 179.9° |
| CAO | CAR | CAJ | CAM | 179.4° | 179.7° |
| CAR | CAO | CAI | HAI | 178.6° | 179.5° |
| CAO | CAR | CAJ | HAJ | 178.3° | 179.4° |
| OAD | CAP | CAS | NAT | 2.1° | 0.3° |
| CAK | CAQ | CAM | CAR | 20.8° | 5.4° |
| CAK | CAQ | CAL | HAL | 179.6° | 179.7° |
| CAL | CAQ | CAM | CAR | 158.3° | 174.6° |
| CAQ | CAL | CAS | CAP | 1.2° | 0.8° |
| CAQ | CAL | CAS | NAT | 178.9° | 180.0° |
| CAL | CAQ | CAK | HAK | 179.6° | 179.7° |
| CAR | CAJ | CAH | HAH | 177.1° | 180.0° |
| CAM | CAR | CAJ | HAJ | 1.1° | 0.3° |
| CAP | CAS | NAT | OAB | 2.7° | 0.8° |
| CAS | CAP | OAD | HOAD | 3.0° | 90.0° |
| CAP | CAS | CAL | HAL | 178.8° | 180.0° |
| NAT | CAS | CAL | HAL | 1.1° | 0.8° |
| HAG | CAG | CAH | HAH | 5.1° | 0.1° |
| HAG | CAG | CAI | HAI | 2.9° | 0.3° |
| HAH | CAH | CAJ | HAJ | 2.9° | 0.1° |
