LT5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FAC | CAN | sing | 1.40Å | 1.35Å | |
| CAL | CAN | sing | 1.51Å | 1.52Å | |
| FAE | CAN | sing | 1.40Å | 1.36Å | |
| CAN | FAD | sing | 1.40Å | 1.34Å | |
| CAI | CAL | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CAH | sing | 1.38Å | 1.38Å | Aromatic |
| CAK | CAI | sing | 1.38Å | 1.41Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAF | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAG | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAK | CAG | doub | 1.38Å | 1.41Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAM | CAK | sing | 1.51Å | 1.55Å | |
| CAJ | CAM | sing | 1.53Å | 1.53Å | |
| CAM | OAB | sing | 1.43Å | 1.40Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| NAA | CAJ | sing | 1.47Å | 1.45Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| NAA | HNAA | sing | 1.01Å | 1.00Å | |
| NAA | HNAB | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FAC | CAN | CAL | 111.4° | 109.5° |
| FAC | CAN | FAE | 109.6° | 109.5° |
| FAC | CAN | FAD | 107.3° | 109.5° |
| CAL | CAN | FAE | 110.8° | 109.4° |
| CAL | CAN | FAD | 108.6° | 109.5° |
| CAN | CAL | CAI | 118.5° | 120.0° |
| CAN | CAL | CAH | 121.2° | 120.0° |
| FAE | CAN | FAD | 109.0° | 109.5° |
| CAI | CAL | CAH | 120.3° | 120.0° |
| CAL | CAI | CAK | 121.5° | 120.0° |
| CAL | CAI | HAI | 119.3° | 120.0° |
| CAL | CAH | CAF | 119.1° | 120.0° |
| CAL | CAH | HAH | 120.4° | 120.0° |
| CAK | CAI | HAI | 119.3° | 120.0° |
| CAI | CAK | CAG | 117.8° | 120.0° |
| CAI | CAK | CAM | 118.6° | 120.0° |
| CAF | CAH | HAH | 120.4° | 120.0° |
| CAH | CAF | CAG | 121.6° | 120.0° |
| CAH | CAF | HAF | 119.2° | 120.0° |
| CAG | CAF | HAF | 119.2° | 120.0° |
| CAF | CAG | CAK | 119.7° | 119.9° |
| CAF | CAG | HAG | 120.2° | 120.0° |
| CAK | CAG | HAG | 120.2° | 120.0° |
| CAG | CAK | CAM | 123.5° | 120.0° |
| CAK | CAM | CAJ | 113.1° | 109.5° |
| CAK | CAM | OAB | 103.2° | 109.5° |
| CAK | CAM | HAM | 110.8° | 109.5° |
| CAJ | CAM | OAB | 107.9° | 109.5° |
| CAJ | CAM | HAM | 106.3° | 109.4° |
| CAM | CAJ | NAA | 113.6° | 109.5° |
| CAM | CAJ | HAJ | 108.1° | 109.5° |
| CAM | CAJ | HAJA | 107.2° | 109.5° |
| OAB | CAM | HAM | 115.7° | 109.4° |
| CAM | OAB | HOAB | 109.5° | 113.9° |
| NAA | CAJ | HAJ | 108.1° | 109.5° |
| NAA | CAJ | HAJA | 107.2° | 109.5° |
| CAJ | NAA | HNAA | 109.5° | 111.0° |
| CAJ | NAA | HNAB | 109.5° | 111.1° |
| HAJ | CAJ | HAJA | 112.8° | 109.4° |
| HNAA | NAA | HNAB | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FAC | CAN | CAL | FAE | 122.3° | 120.0° |
| FAC | CAN | CAL | FAD | 118.0° | 120.0° |
| FAC | CAN | FAE | FAD | 117.2° | 120.0° |
| FAC | CAN | CAL | CAI | 75.3° | 179.7° |
| FAC | CAN | CAL | CAH | 104.6° | 0.0° |
| CAL | CAN | FAE | FAD | 119.4° | 120.0° |
| CAN | CAL | CAI | CAH | 179.9° | 179.7° |
| CAN | CAL | CAI | CAK | 179.3° | 179.9° |
| CAN | CAL | CAI | HAI | 0.7° | 0.0° |
| CAN | CAL | CAH | CAF | 179.9° | 180.0° |
| CAN | CAL | CAH | HAH | 0.1° | 0.1° |
| FAE | CAN | CAL | CAI | 47.0° | 59.7° |
| FAE | CAN | CAL | CAH | 133.1° | 120.0° |
| FAD | CAN | CAL | CAI | 166.7° | 60.3° |
| FAD | CAN | CAL | CAH | 13.4° | 120.0° |
| CAL | CAI | CAK | HAI | 180.0° | 179.9° |
| CAI | CAL | CAH | CAF | 0.2° | 0.2° |
| CAI | CAL | CAH | HAH | 179.8° | 179.7° |
| CAL | CAI | CAK | CAG | 1.2° | 0.1° |
| CAL | CAI | CAK | CAM | 179.8° | 180.0° |
| CAH | CAL | CAI | CAK | 0.7° | 0.3° |
| CAH | CAL | CAI | HAI | 179.3° | 179.8° |
| CAL | CAH | CAF | HAH | 180.0° | 179.9° |
| CAL | CAH | CAF | CAG | 0.5° | 0.1° |
| CAL | CAH | CAF | HAF | 179.5° | 180.0° |
| CAI | CAK | CAG | CAF | 0.9° | 0.2° |
| CAI | CAK | CAG | CAM | 178.9° | 179.9° |
| CAI | CAK | CAG | HAG | 179.1° | 179.8° |
| CAI | CAK | CAM | CAJ | 179.7° | 95.0° |
| CAI | CAK | CAM | OAB | 63.4° | 144.9° |
| CAI | CAK | CAM | HAM | 61.1° | 24.9° |
| HAI | CAI | CAK | CAG | 178.8° | 180.0° |
| HAI | CAI | CAK | CAM | 0.2° | 0.1° |
| CAH | CAF | CAG | HAF | 180.0° | 180.0° |
| CAH | CAF | CAG | CAK | 0.1° | 0.3° |
| CAH | CAF | CAG | HAG | 179.9° | 179.9° |
| HAH | CAH | CAF | CAG | 179.5° | 180.0° |
| HAH | CAH | CAF | HAF | 0.5° | 0.1° |
| CAF | CAG | CAK | HAG | 180.0° | 179.7° |
| CAF | CAG | CAK | CAM | 179.9° | 179.7° |
| HAF | CAF | CAG | CAK | 179.9° | 179.8° |
| HAF | CAF | CAG | HAG | 0.1° | 0.1° |
| CAG | CAK | CAM | CAJ | 0.8° | 85.1° |
| CAG | CAK | CAM | OAB | 115.5° | 35.0° |
| CAG | CAK | CAM | HAM | 120.0° | 155.0° |
| HAG | CAG | CAK | CAM | 0.1° | 0.0° |
| CAK | CAM | CAJ | OAB | 113.5° | 120.1° |
| CAK | CAM | CAJ | HAM | 121.8° | 120.0° |
| CAK | CAM | OAB | HAM | 121.2° | 120.0° |
| CAK | CAM | OAB | HOAB | 11.0° | 59.9° |
| CAK | CAM | CAJ | NAA | 103.5° | 180.0° |
| CAK | CAM | CAJ | HAJ | 136.5° | 60.0° |
| CAK | CAM | CAJ | HAJA | 14.7° | 59.9° |
| CAJ | CAM | OAB | HAM | 118.9° | 119.9° |
| CAJ | CAM | OAB | HOAB | 108.9° | 60.1° |
| CAM | CAJ | NAA | HAJ | 120.0° | 120.0° |
| CAM | CAJ | NAA | HAJA | 118.2° | 120.0° |
| CAM | CAJ | HAJ | HAJA | 118.3° | 119.9° |
| CAM | CAJ | NAA | HNAA | 77.6° | 56.0° |
| CAM | CAJ | NAA | HNAB | 162.4° | 180.0° |
| OAB | CAM | CAJ | NAA | 143.0° | 59.9° |
| OAB | CAM | CAJ | HAJ | 23.0° | 60.1° |
| OAB | CAM | CAJ | HAJA | 98.8° | 180.0° |
| HAM | CAM | OAB | HOAB | 132.2° | 180.0° |
| HAM | CAM | CAJ | NAA | 18.3° | 60.0° |
| HAM | CAM | CAJ | HAJ | 101.7° | 180.0° |
| HAM | CAM | CAJ | HAJA | 136.5° | 60.1° |
| NAA | CAJ | HAJ | HAJA | 118.3° | 120.0° |
| CAJ | NAA | HNAA | HNAB | 120.0° | 124.0° |
| HAJ | CAJ | NAA | HNAA | 42.3° | 64.0° |
| HAJ | CAJ | NAA | HNAB | 77.6° | 60.0° |
| HAJA | CAJ | NAA | HNAA | 164.2° | 176.1° |
| HAJA | CAJ | NAA | HNAB | 44.2° | 60.0° |
