E5E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CAL | sing | 1.43Å | 1.43Å | |
| CAL | CAK | sing | 1.51Å | 1.52Å | |
| CAL | CAH | sing | 1.53Å | 1.53Å | |
| CAK | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.38Å | Aromatic |
| CAG | CAJ | doub | 1.39Å | 1.38Å | Aromatic |
| CAE | CAI | doub | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAI | sing | 1.39Å | 1.40Å | Aromatic |
| CAJ | OAC | sing | 1.36Å | 1.35Å | |
| CAI | OAB | sing | 1.36Å | 1.38Å | |
| CAH | NAA | sing | 1.47Å | 1.49Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAHA | sing | 1.09Å | 1.10Å | |
| NAA | HNAA | sing | 1.01Å | 1.00Å | |
| NAA | HNAB | sing | 1.01Å | 1.00Å | |
| NAA | HNAC | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CAL | CAK | 111.4° | 109.5° |
| OAD | CAL | CAH | 107.5° | 109.5° |
| OAD | CAL | HAL | 109.8° | 109.4° |
| CAL | OAD | HOAD | 109.5° | 114.0° |
| CAK | CAL | CAH | 111.1° | 109.5° |
| CAL | CAK | CAF | 122.0° | 119.9° |
| CAL | CAK | CAG | 119.1° | 119.9° |
| CAK | CAL | HAL | 108.5° | 109.5° |
| CAL | CAH | NAA | 112.3° | 109.5° |
| CAH | CAL | HAL | 108.5° | 109.5° |
| CAL | CAH | HAH | 108.8° | 109.5° |
| CAL | CAH | HAHA | 108.7° | 109.5° |
| CAF | CAK | CAG | 118.6° | 120.1° |
| CAK | CAF | CAE | 120.9° | 120.1° |
| CAK | CAF | HAF | 119.5° | 119.9° |
| CAK | CAG | CAJ | 120.8° | 120.0° |
| CAK | CAG | HAG | 119.6° | 120.0° |
| CAF | CAE | CAI | 120.0° | 120.0° |
| CAF | CAE | HAE | 120.0° | 120.0° |
| CAE | CAF | HAF | 119.5° | 120.0° |
| CAG | CAJ | CAI | 120.3° | 119.8° |
| CAG | CAJ | OAC | 122.2° | 120.1° |
| CAJ | CAG | HAG | 119.6° | 119.9° |
| CAE | CAI | CAJ | 119.3° | 119.9° |
| CAE | CAI | OAB | 122.2° | 120.1° |
| CAI | CAE | HAE | 120.0° | 120.0° |
| CAI | CAJ | OAC | 117.5° | 120.1° |
| CAJ | CAI | OAB | 118.4° | 120.1° |
| CAJ | OAC | HOAC | 109.5° | 113.9° |
| CAI | OAB | HOAB | 109.5° | 114.0° |
| NAA | CAH | HAH | 108.7° | 109.5° |
| NAA | CAH | HAHA | 108.7° | 109.4° |
| CAH | NAA | HNAA | 109.5° | 109.5° |
| CAH | NAA | HNAB | 109.5° | 109.5° |
| CAH | NAA | HNAC | 109.5° | 109.4° |
| HAH | CAH | HAHA | 109.5° | 109.5° |
| HNAA | NAA | HNAB | 109.4° | 109.5° |
| HNAA | NAA | HNAC | 109.5° | 109.5° |
| HNAB | NAA | HNAC | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CAL | CAK | CAH | 119.8° | 120.0° |
| OAD | CAL | CAK | HAL | 121.0° | 119.9° |
| OAD | CAL | CAH | HAL | 118.7° | 120.0° |
| OAD | CAL | CAK | CAF | 46.2° | 35.0° |
| OAD | CAL | CAK | CAG | 140.2° | 145.8° |
| OAD | CAL | CAH | NAA | 69.1° | 60.0° |
| OAD | CAL | CAH | HAH | 51.3° | 60.0° |
| OAD | CAL | CAH | HAHA | 170.5° | 180.0° |
| CAK | CAL | CAH | HAL | 119.2° | 120.0° |
| CAL | CAK | CAF | CAG | 173.6° | 179.2° |
| CAL | CAK | CAF | CAE | 171.5° | 180.0° |
| CAL | CAK | CAG | CAJ | 171.1° | 179.7° |
| CAK | CAL | CAH | NAA | 168.8° | 180.0° |
| CAL | CAK | CAG | HAG | 8.9° | 0.3° |
| CAL | CAK | CAF | HAF | 8.6° | 0.6° |
| CAK | CAL | OAD | HOAD | 180.0° | 60.0° |
| CAK | CAL | CAH | HAH | 70.8° | 60.0° |
| CAK | CAL | CAH | HAHA | 48.4° | 60.0° |
| CAH | CAL | CAK | CAF | 73.6° | 85.0° |
| CAH | CAL | CAK | CAG | 100.0° | 94.2° |
| CAL | CAH | NAA | HAH | 120.4° | 120.0° |
| CAL | CAH | NAA | HAHA | 120.4° | 120.0° |
| CAH | CAL | OAD | HOAD | 58.1° | 60.0° |
| CAL | CAH | HAH | HAHA | 118.7° | 120.0° |
| CAL | CAH | NAA | HNAA | 180.0° | 60.0° |
| CAL | CAH | NAA | HNAB | 60.0° | 60.0° |
| CAL | CAH | NAA | HNAC | 60.0° | 180.0° |
| CAK | CAF | CAE | HAF | 180.0° | 179.4° |
| CAF | CAK | CAG | CAJ | 2.7° | 0.6° |
| CAK | CAF | CAE | CAI | 0.1° | 0.6° |
| CAF | CAK | CAG | HAG | 177.3° | 179.5° |
| CAK | CAF | CAE | HAE | 179.9° | 179.4° |
| CAF | CAK | CAL | HAL | 167.2° | 155.0° |
| CAG | CAK | CAF | CAE | 2.2° | 0.8° |
| CAK | CAG | CAJ | HAG | 180.0° | 180.0° |
| CAK | CAG | CAJ | CAI | 1.0° | 0.0° |
| CAK | CAG | CAJ | OAC | 177.8° | 179.8° |
| CAG | CAK | CAF | HAF | 177.8° | 179.8° |
| CAG | CAK | CAL | HAL | 19.2° | 25.9° |
| CAF | CAE | CAI | HAE | 180.0° | 180.0° |
| CAF | CAE | CAI | CAJ | 1.8° | 0.0° |
| CAF | CAE | CAI | OAB | 174.0° | 180.0° |
| CAG | CAJ | CAI | CAE | 1.3° | 0.2° |
| CAG | CAJ | CAI | OAC | 178.9° | 179.8° |
| CAG | CAJ | CAI | OAB | 174.7° | 179.7° |
| CAG | CAJ | OAC | HOAC | 180.0° | 89.7° |
| CAE | CAI | CAJ | OAB | 175.9° | 180.0° |
| CAE | CAI | CAJ | OAC | 179.9° | 180.0° |
| CAE | CAI | OAB | HOAB | 180.0° | 90.0° |
| CAI | CAE | CAF | HAF | 180.0° | 180.0° |
| CAI | CAJ | OAC | HOAC | 1.1° | 90.0° |
| CAI | CAJ | CAG | HAG | 178.9° | 180.0° |
| CAJ | CAI | OAB | HOAB | 4.2° | 90.0° |
| CAJ | CAI | CAE | HAE | 178.2° | 179.9° |
| OAC | CAJ | CAI | OAB | 4.2° | 0.0° |
| OAC | CAJ | CAG | HAG | 2.2° | 0.2° |
| OAB | CAI | CAE | HAE | 6.0° | 0.0° |
| NAA | CAH | CAL | HAL | 49.6° | 59.9° |
| NAA | CAH | HAH | HAHA | 118.7° | 120.0° |
| CAH | NAA | HNAA | HNAB | 120.0° | 120.0° |
| CAH | NAA | HNAA | HNAC | 120.0° | 120.0° |
| CAH | NAA | HNAB | HNAC | 120.0° | 119.9° |
| HAE | CAE | CAF | HAF | 0.0° | 0.0° |
| HAL | CAL | OAD | HOAD | 59.7° | 180.0° |
| HAL | CAL | CAH | HAH | 170.0° | 179.9° |
| HAL | CAL | CAH | HAHA | 70.8° | 60.0° |
| HAH | CAH | NAA | HNAA | 59.6° | 180.0° |
| HAH | CAH | NAA | HNAB | 179.6° | 60.0° |
| HAH | CAH | NAA | HNAC | 60.5° | 60.0° |
| HAHA | CAH | NAA | HNAA | 59.6° | 60.0° |
| HAHA | CAH | NAA | HNAB | 60.4° | 180.0° |
| HAHA | CAH | NAA | HNAC | 179.6° | 60.0° |
| HNAA | NAA | HNAB | HNAC | 120.0° | 120.0° |
