EJ5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAF | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAH | CAR | doub | 1.40Å | 1.41Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAR | CAO | sing | 1.48Å | 1.55Å | |
| CAO | OAD | sing | 1.35Å | 1.26Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| OAB | CAO | doub | 1.21Å | 1.26Å | |
| CAI | CAR | sing | 1.40Å | 1.39Å | Aromatic |
| CAG | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAQ | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAQ | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAK | CAQ | sing | 1.51Å | 1.55Å | |
| CAK | CAJ | sing | 1.53Å | 1.55Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| CAJ | CAL | sing | 1.53Å | 1.56Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| CAL | CAT | sing | 1.51Å | 1.56Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAT | CAU | sing | 1.40Å | 1.42Å | |
| CAS | CAT | doub | 1.38Å | 1.40Å | |
| CAS | NAM | sing | 1.34Å | 1.40Å | |
| OAE | CAS | sing | 1.35Å | 1.24Å | |
| NAM | CAP | doub | 1.32Å | 1.42Å | |
| CAP | NAN | sing | 1.36Å | 1.33Å | |
| CAP | NAA | sing | 1.37Å | 1.34Å | |
| NAA | HNAA | sing | 0.97Å | 1.00Å | |
| NAA | HNAB | sing | 0.97Å | 1.00Å | |
| CAU | NAN | sing | 1.35Å | 1.34Å | |
| CAU | OAC | doub | 1.22Å | 1.35Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAL | H13 | sing | 1.09Å | 1.10Å | |
| OAE | H14 | sing | 0.97Å | 0.95Å | |
| NAN | HNAN | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAH | CAF | HAF | 120.0° | 119.9° |
| CAF | CAH | CAR | 120.9° | 119.8° |
| CAF | CAH | HAH | 119.6° | 120.1° |
| CAH | CAF | CAQ | 120.0° | 120.2° |
| HAF | CAF | CAQ | 120.0° | 119.9° |
| CAR | CAH | HAH | 119.6° | 120.1° |
| CAH | CAR | CAO | 122.9° | 120.1° |
| CAH | CAR | CAI | 118.8° | 119.7° |
| CAR | CAO | OAD | 118.0° | 120.0° |
| CAR | CAO | OAB | 117.6° | 120.0° |
| CAO | CAR | CAI | 118.4° | 120.1° |
| CAO | OAD | HOAD | 109.5° | 117.0° |
| OAD | CAO | OAB | 124.3° | 120.0° |
| CAR | CAI | CAG | 119.9° | 119.9° |
| CAR | CAI | HAI | 120.0° | 120.1° |
| CAI | CAG | HAG | 119.1° | 119.9° |
| CAI | CAG | CAQ | 121.9° | 120.1° |
| CAG | CAI | HAI | 120.0° | 120.1° |
| HAG | CAG | CAQ | 119.0° | 120.0° |
| CAF | CAQ | CAG | 118.6° | 120.3° |
| CAF | CAQ | CAK | 121.4° | 119.9° |
| CAG | CAQ | CAK | 120.1° | 119.8° |
| CAQ | CAK | CAJ | 110.7° | 109.5° |
| CAQ | CAK | HAK | 109.1° | 109.5° |
| CAQ | CAK | HAKA | 108.8° | 109.5° |
| CAJ | CAK | HAK | 109.1° | 109.5° |
| CAJ | CAK | HAKA | 108.8° | 109.4° |
| CAK | CAJ | CAL | 110.9° | 109.5° |
| CAK | CAJ | HAJ | 109.0° | 109.5° |
| CAK | CAJ | HAJA | 108.7° | 109.5° |
| HAK | CAK | HAKA | 110.4° | 109.5° |
| CAL | CAJ | HAJ | 109.0° | 109.5° |
| CAL | CAJ | HAJA | 108.7° | 109.4° |
| CAJ | CAL | CAT | 120.6° | 109.5° |
| CAJ | CAL | HAL | 105.9° | 109.5° |
| CAJ | CAL | H13 | 103.3° | 109.4° |
| HAJ | CAJ | HAJA | 110.6° | 109.4° |
| CAT | CAL | HAL | 105.9° | 109.5° |
| CAL | CAT | CAU | 121.6° | 120.7° |
| CAL | CAT | CAS | 123.1° | 120.6° |
| CAT | CAL | H13 | 103.3° | 109.5° |
| HAL | CAL | H13 | 118.7° | 109.5° |
| CAU | CAT | CAS | 115.3° | 118.7° |
| CAT | CAU | NAN | 124.7° | 118.9° |
| CAT | CAU | OAC | 122.6° | 120.6° |
| CAT | CAS | NAM | 119.1° | 119.8° |
| CAT | CAS | OAE | 122.1° | 120.1° |
| NAM | CAS | OAE | 118.8° | 120.1° |
| CAS | NAM | CAP | 121.8° | 121.2° |
| CAS | OAE | H14 | 109.5° | 114.0° |
| NAM | CAP | NAN | 118.4° | 121.3° |
| NAM | CAP | NAA | 123.3° | 119.3° |
| NAN | CAP | NAA | 118.3° | 119.3° |
| CAP | NAN | CAU | 120.7° | 120.1° |
| CAP | NAN | HNAN | 119.7° | 119.9° |
| CAP | NAA | HNAA | 109.2° | 120.0° |
| CAP | NAA | HNAB | 125.4° | 120.0° |
| HNAA | NAA | HNAB | 125.4° | 120.0° |
| NAN | CAU | OAC | 112.7° | 120.5° |
| CAU | NAN | HNAN | 119.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAH | CAF | HAF | CAQ | 180.0° | 179.8° |
| CAF | CAH | CAR | HAH | 180.0° | 180.0° |
| CAF | CAH | CAR | CAO | 179.7° | 180.0° |
| CAF | CAH | CAR | CAI | 0.1° | 0.0° |
| CAH | CAF | CAQ | CAG | 0.3° | 0.5° |
| CAH | CAF | CAQ | CAK | 179.9° | 180.0° |
| HAF | CAF | CAH | CAR | 179.8° | 180.0° |
| HAF | CAF | CAH | HAH | 0.2° | 0.0° |
| HAF | CAF | CAQ | CAG | 179.8° | 179.7° |
| HAF | CAF | CAQ | CAK | 0.1° | 0.2° |
| CAH | CAR | CAO | CAI | 179.6° | 180.0° |
| CAH | CAR | CAO | OAD | 122.3° | 180.0° |
| CAH | CAR | CAO | OAB | 58.6° | 0.1° |
| CAH | CAR | CAI | CAG | 0.4° | 0.0° |
| CAR | CAH | CAF | CAQ | 0.2° | 0.2° |
| CAH | CAR | CAI | HAI | 179.6° | 180.0° |
| HAH | CAH | CAR | CAO | 0.3° | 0.0° |
| HAH | CAH | CAR | CAI | 179.9° | 180.0° |
| HAH | CAH | CAF | CAQ | 179.8° | 179.8° |
| CAR | CAO | OAD | OAB | 178.9° | 179.9° |
| CAR | CAO | OAD | HOAD | 178.9° | 180.0° |
| CAO | CAR | CAI | CAG | 179.2° | 180.0° |
| CAO | CAR | CAI | HAI | 0.8° | 0.0° |
| OAD | CAO | CAR | CAI | 58.1° | 0.0° |
| HOAD | OAD | CAO | OAB | 0.0° | 0.1° |
| OAB | CAO | CAR | CAI | 121.0° | 179.9° |
| CAR | CAI | CAG | HAI | 180.0° | 180.0° |
| CAR | CAI | CAG | HAG | 179.2° | 180.0° |
| CAR | CAI | CAG | CAQ | 0.8° | 0.2° |
| CAI | CAG | HAG | CAQ | 180.0° | 179.8° |
| CAI | CAG | CAQ | CAF | 0.7° | 0.5° |
| CAI | CAG | CAQ | CAK | 179.6° | 180.0° |
| HAG | CAG | CAQ | CAF | 179.2° | 179.8° |
| HAG | CAG | CAQ | CAK | 0.4° | 0.2° |
| HAG | CAG | CAI | HAI | 0.8° | 0.0° |
| CAF | CAQ | CAG | CAK | 179.6° | 179.5° |
| CAF | CAQ | CAK | CAJ | 173.1° | 90.0° |
| CAF | CAQ | CAK | HAK | 66.9° | 150.0° |
| CAF | CAQ | CAK | HAKA | 53.6° | 29.9° |
| CAG | CAQ | CAK | CAJ | 6.6° | 89.5° |
| CAG | CAQ | CAK | HAK | 113.4° | 30.5° |
| CAG | CAQ | CAK | HAKA | 126.0° | 150.5° |
| CAQ | CAG | CAI | HAI | 179.2° | 179.8° |
| CAQ | CAK | CAJ | HAK | 120.0° | 120.1° |
| CAQ | CAK | CAJ | HAKA | 119.5° | 119.9° |
| CAQ | CAK | HAK | HAKA | 119.5° | 120.0° |
| CAQ | CAK | CAJ | CAL | 76.4° | 180.0° |
| CAQ | CAK | CAJ | HAJ | 163.6° | 60.0° |
| CAQ | CAK | CAJ | HAJA | 43.0° | 60.0° |
| CAJ | CAK | HAK | HAKA | 119.5° | 120.0° |
| CAK | CAJ | CAL | HAJ | 120.0° | 120.1° |
| CAK | CAJ | CAL | HAJA | 119.4° | 120.0° |
| CAK | CAJ | HAJ | HAJA | 119.4° | 120.0° |
| CAK | CAJ | CAL | CAT | 135.2° | 180.0° |
| CAK | CAJ | CAL | HAL | 15.2° | 60.0° |
| CAK | CAJ | CAL | H13 | 110.3° | 60.0° |
| HAK | CAK | CAJ | CAL | 43.6° | 60.0° |
| HAK | CAK | CAJ | HAJ | 76.4° | 180.0° |
| HAK | CAK | CAJ | HAJA | 163.0° | 60.0° |
| HAKA | CAK | CAJ | CAL | 164.1° | 60.0° |
| HAKA | CAK | CAJ | HAJ | 44.2° | 60.0° |
| HAKA | CAK | CAJ | HAJA | 76.5° | 180.0° |
| CAL | CAJ | HAJ | HAJA | 119.4° | 119.9° |
| CAJ | CAL | CAT | HAL | 120.0° | 120.1° |
| CAJ | CAL | CAT | H13 | 114.5° | 119.9° |
| CAJ | CAL | HAL | H13 | 115.4° | 120.0° |
| CAJ | CAL | CAT | CAU | 176.8° | 85.0° |
| CAJ | CAL | CAT | CAS | 4.5° | 95.3° |
| HAJ | CAJ | CAL | CAT | 104.8° | 59.9° |
| HAJ | CAJ | CAL | HAL | 135.2° | 180.0° |
| HAJ | CAJ | CAL | H13 | 9.7° | 60.0° |
| HAJA | CAJ | CAL | CAT | 15.8° | 60.0° |
| HAJA | CAJ | CAL | HAL | 104.2° | 60.0° |
| HAJA | CAJ | CAL | H13 | 130.3° | 180.0° |
| CAT | CAL | HAL | H13 | 115.4° | 120.0° |
| CAL | CAT | CAU | CAS | 178.8° | 179.7° |
| CAL | CAT | CAS | NAM | 179.1° | 180.0° |
| CAL | CAT | CAS | OAE | 1.0° | 0.0° |
| CAL | CAT | CAU | NAN | 179.2° | 179.7° |
| CAL | CAT | CAU | OAC | 0.1° | 0.0° |
| HAL | CAL | CAT | CAU | 56.8° | 154.9° |
| HAL | CAL | CAT | CAS | 124.5° | 24.8° |
| CAU | CAT | CAS | NAM | 0.2° | 0.3° |
| CAU | CAT | CAS | OAE | 179.9° | 179.7° |
| CAT | CAU | NAN | CAP | 0.0° | 0.6° |
| CAT | CAU | NAN | OAC | 179.2° | 179.6° |
| CAU | CAT | CAL | H13 | 68.7° | 34.9° |
| CAT | CAU | NAN | HNAN | 180.0° | 179.7° |
| CAT | CAS | NAM | OAE | 179.9° | 180.0° |
| CAT | CAS | NAM | CAP | 0.1° | 0.0° |
| CAS | CAT | CAU | NAN | 0.3° | 0.6° |
| CAS | CAT | CAU | OAC | 178.8° | 179.8° |
| CAS | CAT | CAL | H13 | 110.0° | 144.8° |
| CAT | CAS | OAE | H14 | 88.8° | 180.0° |
| CAS | NAM | CAP | NAN | 0.3° | 0.0° |
| CAS | NAM | CAP | NAA | 179.8° | 180.0° |
| NAM | CAS | OAE | H14 | 91.1° | 0.0° |
| OAE | CAS | NAM | CAP | 179.8° | 180.0° |
| NAM | CAP | NAN | NAA | 179.8° | 179.9° |
| NAM | CAP | NAA | HNAA | 0.1° | 0.1° |
| NAM | CAP | NAA | HNAB | 179.9° | 180.0° |
| NAM | CAP | NAN | CAU | 0.3° | 0.3° |
| NAM | CAP | NAN | HNAN | 179.7° | 180.0° |
| NAN | CAP | NAA | HNAA | 179.9° | 180.0° |
| NAN | CAP | NAA | HNAB | 0.1° | 0.1° |
| CAP | NAN | CAU | HNAN | 180.0° | 179.7° |
| CAP | NAN | CAU | OAC | 179.2° | 179.8° |
| CAP | NAA | HNAA | HNAB | 180.0° | 179.9° |
| NAA | CAP | NAN | CAU | 179.9° | 179.6° |
| NAA | CAP | NAN | HNAN | 0.1° | 0.1° |
| OAC | CAU | NAN | HNAN | 0.8° | 0.0° |
