M4V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | CAQ | sing | 1.37Å | 1.41Å | |
| OAB | CAV | doub | 1.22Å | 1.25Å | |
| BR | CAP | sing | 1.89Å | 1.96Å | |
| CAD | CAE | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | CAF | sing | 1.38Å | 1.38Å | Aromatic |
| CAE | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAS | doub | 1.40Å | 1.38Å | Aromatic |
| CAH | CAS | sing | 1.40Å | 1.40Å | Aromatic |
| CAI | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAP | sing | 1.38Å | 1.35Å | Aromatic |
| CAJ | CAL | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAP | doub | 1.39Å | 1.37Å | Aromatic |
| CAK | CAR | sing | 1.40Å | 1.40Å | Aromatic |
| CAL | CAR | doub | 1.40Å | 1.37Å | Aromatic |
| NAM | CAQ | doub | 1.31Å | 1.35Å | |
| NAM | CAW | sing | 1.34Å | 1.34Å | |
| NAN | CAQ | sing | 1.36Å | 1.38Å | |
| NAN | CAV | sing | 1.35Å | 1.37Å | |
| NAO | CAT | sing | 1.38Å | 1.39Å | Aromatic |
| NAO | CAW | sing | 1.37Å | 1.40Å | Aromatic |
| CAR | CAT | sing | 1.48Å | 1.49Å | |
| CAS | CAU | sing | 1.48Å | 1.51Å | |
| CAT | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CAX | sing | 1.47Å | 1.38Å | Aromatic |
| CAV | CAX | sing | 1.41Å | 1.42Å | |
| CAW | CAX | doub | 1.40Å | 1.39Å | Aromatic |
| NAA | HNAA | sing | 0.97Å | 1.00Å | |
| NAA | HNAB | sing | 0.97Å | 1.00Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| 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 | |
| NAN | HNAN | sing | 0.97Å | 1.00Å | |
| NAO | HNAO | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAA | CAQ | NAM | 115.5° | 118.9° |
| NAA | CAQ | NAN | 123.8° | 118.9° |
| CAQ | NAA | HNAA | 120.0° | 120.0° |
| CAQ | NAA | HNAB | 120.0° | 120.0° |
| OAB | CAV | NAN | 119.0° | 120.9° |
| OAB | CAV | CAX | 122.5° | 120.8° |
| BR | CAP | CAI | 118.1° | 119.9° |
| BR | CAP | CAJ | 121.4° | 119.8° |
| CAE | CAD | CAF | 120.2° | 120.3° |
| CAD | CAE | CAG | 120.6° | 120.2° |
| CAE | CAD | HAD | 119.9° | 119.8° |
| CAD | CAE | HAE | 119.7° | 119.9° |
| CAD | CAF | CAH | 118.4° | 120.2° |
| CAF | CAD | HAD | 119.9° | 119.9° |
| CAD | CAF | HAF | 120.8° | 119.9° |
| CAE | CAG | CAS | 120.4° | 119.8° |
| CAG | CAE | HAE | 119.7° | 119.9° |
| CAE | CAG | HAG | 119.8° | 120.1° |
| CAF | CAH | CAS | 122.4° | 119.8° |
| CAH | CAF | HAF | 120.8° | 119.9° |
| CAF | CAH | HAH | 118.8° | 120.1° |
| CAG | CAS | CAH | 117.9° | 119.7° |
| CAG | CAS | CAU | 123.2° | 120.1° |
| CAS | CAG | HAG | 119.8° | 120.1° |
| CAH | CAS | CAU | 118.5° | 120.1° |
| CAS | CAH | HAH | 118.8° | 120.1° |
| CAK | CAI | CAP | 119.5° | 120.2° |
| CAI | CAK | CAR | 121.1° | 119.8° |
| CAK | CAI | HAI | 120.3° | 119.9° |
| CAI | CAK | HAK | 119.5° | 120.1° |
| CAI | CAP | CAJ | 120.4° | 120.3° |
| CAP | CAI | HAI | 120.2° | 119.9° |
| CAL | CAJ | CAP | 120.6° | 120.1° |
| CAJ | CAL | CAR | 120.2° | 119.9° |
| CAL | CAJ | HAJ | 119.7° | 120.0° |
| CAJ | CAL | HAL | 119.9° | 120.1° |
| CAP | CAJ | HAJ | 119.7° | 119.9° |
| CAK | CAR | CAL | 117.9° | 119.7° |
| CAK | CAR | CAT | 115.1° | 120.1° |
| CAR | CAK | HAK | 119.4° | 120.1° |
| CAL | CAR | CAT | 126.2° | 120.1° |
| CAR | CAL | HAL | 119.9° | 120.1° |
| CAQ | NAM | CAW | 119.2° | 121.3° |
| NAM | CAQ | NAN | 120.6° | 122.1° |
| NAM | CAW | NAO | 125.3° | 133.0° |
| NAM | CAW | CAX | 123.2° | 119.0° |
| CAQ | NAN | CAV | 121.4° | 120.1° |
| CAQ | NAN | HNAN | 119.3° | 119.9° |
| NAN | CAV | CAX | 118.4° | 118.3° |
| CAV | NAN | HNAN | 119.3° | 119.9° |
| CAT | NAO | CAW | 103.5° | 110.3° |
| NAO | CAT | CAR | 121.2° | 125.5° |
| NAO | CAT | CAU | 110.6° | 108.9° |
| CAT | NAO | HNAO | 128.3° | 124.9° |
| NAO | CAW | CAX | 111.5° | 107.9° |
| CAW | NAO | HNAO | 128.3° | 124.8° |
| CAR | CAT | CAU | 127.4° | 125.6° |
| CAS | CAU | CAT | 120.3° | 126.9° |
| CAS | CAU | CAX | 131.3° | 126.9° |
| CAT | CAU | CAX | 108.2° | 106.2° |
| CAU | CAX | CAV | 136.8° | 134.3° |
| CAU | CAX | CAW | 106.0° | 106.6° |
| CAV | CAX | CAW | 117.2° | 119.1° |
| HNAA | NAA | HNAB | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAA | CAQ | NAM | NAN | 176.8° | 180.0° |
| NAA | CAQ | NAM | CAW | 179.5° | 180.0° |
| NAA | CAQ | NAN | CAV | 178.1° | 180.0° |
| CAQ | NAA | HNAA | HNAB | 180.0° | 179.8° |
| NAA | CAQ | NAN | HNAN | 1.9° | 0.0° |
| OAB | CAV | NAN | CAQ | 178.5° | 180.0° |
| OAB | CAV | NAN | CAX | 178.8° | 180.0° |
| OAB | CAV | CAX | CAU | 3.0° | 0.1° |
| OAB | CAV | CAX | CAW | 178.6° | 179.9° |
| OAB | CAV | NAN | HNAN | 1.5° | 0.0° |
| BR | CAP | CAI | CAK | 178.6° | 180.0° |
| BR | CAP | CAI | CAJ | 177.0° | 179.9° |
| BR | CAP | CAJ | CAL | 177.5° | 180.0° |
| BR | CAP | CAI | HAI | 1.4° | 0.4° |
| BR | CAP | CAJ | HAJ | 2.5° | 0.0° |
| CAE | CAD | CAF | HAD | 180.0° | 179.8° |
| CAD | CAE | CAG | HAE | 180.0° | 180.0° |
| CAE | CAD | CAF | CAH | 1.8° | 0.0° |
| CAD | CAE | CAG | CAS | 2.4° | 0.0° |
| CAE | CAD | CAF | HAF | 178.2° | 180.0° |
| CAD | CAE | CAG | HAG | 177.6° | 180.0° |
| CAF | CAD | CAE | CAG | 0.1° | 0.0° |
| CAD | CAF | CAH | HAF | 180.0° | 180.0° |
| CAD | CAF | CAH | CAS | 1.1° | 0.0° |
| CAF | CAD | CAE | HAE | 179.9° | 180.0° |
| CAD | CAF | CAH | HAH | 178.9° | 180.0° |
| CAE | CAG | CAS | HAG | 180.0° | 179.9° |
| CAE | CAG | CAS | CAH | 3.1° | 0.0° |
| CAE | CAG | CAS | CAU | 176.6° | 180.0° |
| CAG | CAE | CAD | HAD | 179.8° | 179.7° |
| CAF | CAH | CAS | CAG | 1.4° | 0.0° |
| CAF | CAH | CAS | HAH | 180.0° | 179.9° |
| CAF | CAH | CAS | CAU | 175.2° | 180.0° |
| CAH | CAF | CAD | HAD | 178.1° | 179.8° |
| CAG | CAS | CAH | CAU | 173.8° | 180.0° |
| CAG | CAS | CAU | CAT | 112.2° | 66.5° |
| CAG | CAS | CAU | CAX | 63.6° | 113.5° |
| CAS | CAG | CAE | HAE | 177.6° | 180.0° |
| CAG | CAS | CAH | HAH | 178.6° | 179.9° |
| CAH | CAS | CAU | CAT | 61.2° | 113.5° |
| CAH | CAS | CAU | CAX | 123.0° | 66.5° |
| CAS | CAH | CAF | HAF | 178.9° | 180.0° |
| CAH | CAS | CAG | HAG | 176.9° | 180.0° |
| CAK | CAI | CAP | HAI | 180.0° | 179.7° |
| CAK | CAI | CAP | CAJ | 1.6° | 0.1° |
| CAI | CAK | CAR | HAK | 180.0° | 180.0° |
| CAI | CAK | CAR | CAL | 3.0° | 0.0° |
| CAI | CAK | CAR | CAT | 173.8° | 179.9° |
| CAI | CAP | CAJ | CAL | 0.7° | 0.1° |
| CAP | CAI | CAK | CAR | 0.2° | 0.0° |
| CAI | CAP | CAJ | HAJ | 179.3° | 179.9° |
| CAP | CAI | CAK | HAK | 179.8° | 180.0° |
| CAL | CAJ | CAP | HAJ | 180.0° | 180.0° |
| CAJ | CAL | CAR | CAK | 4.0° | 0.0° |
| CAJ | CAL | CAR | HAL | 180.0° | 180.0° |
| CAJ | CAL | CAR | CAT | 173.6° | 179.9° |
| CAP | CAJ | CAL | CAR | 2.2° | 0.1° |
| CAJ | CAP | CAI | HAI | 178.3° | 179.7° |
| CAP | CAJ | CAL | HAL | 177.8° | 180.0° |
| CAK | CAR | CAL | CAT | 169.7° | 179.9° |
| CAK | CAR | CAT | NAO | 28.9° | 46.9° |
| CAK | CAR | CAT | CAU | 139.9° | 133.0° |
| CAR | CAK | CAI | HAI | 179.8° | 179.7° |
| CAK | CAR | CAL | HAL | 176.0° | 180.0° |
| CAL | CAR | CAT | NAO | 161.2° | 133.2° |
| CAL | CAR | CAT | CAU | 30.0° | 46.9° |
| CAR | CAL | CAJ | HAJ | 177.7° | 180.0° |
| CAL | CAR | CAK | HAK | 177.0° | 180.0° |
| NAM | CAQ | NAN | CAV | 1.5° | 0.0° |
| CAQ | NAM | CAW | NAO | 179.1° | 180.0° |
| CAQ | NAM | CAW | CAX | 2.6° | 0.0° |
| NAM | CAQ | NAA | HNAA | 0.0° | 0.1° |
| NAM | CAQ | NAA | HNAB | 180.0° | 179.7° |
| NAM | CAQ | NAN | HNAN | 178.5° | 180.0° |
| CAW | NAM | CAQ | NAN | 2.7° | 0.0° |
| NAM | CAW | NAO | CAT | 180.0° | 180.0° |
| NAM | CAW | NAO | CAX | 178.4° | 180.0° |
| NAM | CAW | CAX | CAU | 177.5° | 180.0° |
| NAM | CAW | CAX | CAV | 1.4° | 0.1° |
| NAM | CAW | NAO | HNAO | 0.0° | 0.0° |
| CAQ | NAN | CAV | HNAN | 180.0° | 180.0° |
| CAQ | NAN | CAV | CAX | 0.2° | 0.1° |
| NAN | CAQ | NAA | HNAA | 176.7° | 179.9° |
| NAN | CAQ | NAA | HNAB | 3.3° | 0.2° |
| NAN | CAV | CAX | CAU | 178.3° | 180.0° |
| NAN | CAV | CAX | CAW | 0.2° | 0.1° |
| CAT | NAO | CAW | HNAO | 180.0° | 180.0° |
| NAO | CAT | CAR | CAU | 168.8° | 179.9° |
| NAO | CAT | CAU | CAS | 179.0° | 180.0° |
| NAO | CAT | CAU | CAX | 4.4° | 0.0° |
| CAT | NAO | CAW | CAX | 1.6° | 0.0° |
| CAW | NAO | CAT | CAR | 174.2° | 180.0° |
| CAW | NAO | CAT | CAU | 3.6° | 0.0° |
| NAO | CAW | CAX | CAU | 0.9° | 0.0° |
| NAO | CAW | CAX | CAV | 179.8° | 179.9° |
| CAR | CAT | CAU | CAS | 9.2° | 0.1° |
| CAR | CAT | CAU | CAX | 174.2° | 180.0° |
| CAT | CAR | CAK | HAK | 6.2° | 0.1° |
| CAT | CAR | CAL | HAL | 6.4° | 0.0° |
| CAR | CAT | NAO | HNAO | 5.9° | 0.1° |
| CAS | CAU | CAT | CAX | 176.6° | 180.0° |
| CAS | CAU | CAX | CAV | 2.1° | 0.1° |
| CAS | CAU | CAX | CAW | 179.3° | 180.0° |
| CAU | CAS | CAG | HAG | 3.4° | 0.0° |
| CAU | CAS | CAH | HAH | 4.8° | 0.1° |
| CAT | CAU | CAX | CAV | 178.3° | 179.9° |
| CAT | CAU | CAX | CAW | 3.2° | 0.0° |
| CAU | CAT | NAO | HNAO | 176.4° | 180.0° |
| CAU | CAX | CAV | CAW | 178.4° | 179.9° |
| CAX | CAV | NAN | HNAN | 179.7° | 180.0° |
| CAX | CAW | NAO | HNAO | 178.4° | 180.0° |
| HAD | CAD | CAE | HAE | 0.2° | 0.3° |
| HAD | CAD | CAF | HAF | 1.9° | 0.3° |
| HAE | CAE | CAG | HAG | 2.4° | 0.0° |
| HAF | CAF | CAH | HAH | 1.1° | 0.1° |
| HAI | CAI | CAK | HAK | 0.2° | 0.3° |
| HAJ | CAJ | CAL | HAL | 2.2° | 0.0° |
