DLT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAF | CAE | sing | 1.53Å | 1.52Å | |
| CAF | N3 | sing | 1.47Å | 1.48Å | |
| CAE | F26 | sing | 1.40Å | 1.37Å | |
| CAA | N3 | sing | 1.47Å | 1.47Å | |
| CAH | N3 | sing | 1.47Å | 1.48Å | |
| CAJ | CAK | sing | 1.53Å | 1.53Å | |
| CAJ | N3 | sing | 1.47Å | 1.48Å | |
| CAK | CAL | sing | 1.53Å | 1.52Å | |
| CAL | CAM | sing | 1.51Å | 1.50Å | |
| CAM | OAB | doub | 1.21Å | 1.25Å | |
| CAM | OAC | sing | 1.34Å | 1.24Å | |
| CAF | HAF1 | sing | 1.09Å | 1.10Å | |
| CAF | HAF2 | sing | 1.09Å | 1.10Å | |
| CAE | HAE1 | sing | 1.09Å | 1.10Å | |
| CAE | HAE2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAH | HAH1 | sing | 1.09Å | 1.10Å | |
| CAH | HAH2 | sing | 1.09Å | 1.10Å | |
| CAH | HAH3 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| OAC | HAC | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAE | CAF | N3 | 114.7° | 109.5° |
| CAF | CAE | F26 | 110.3° | 109.5° |
| CAE | CAF | HAF1 | 108.1° | 109.5° |
| CAE | CAF | HAF2 | 108.1° | 109.5° |
| CAF | CAE | HAE1 | 109.3° | 109.5° |
| CAF | CAE | HAE2 | 109.3° | 109.5° |
| CAF | N3 | CAA | 110.7° | 109.5° |
| CAF | N3 | CAH | 104.9° | 109.5° |
| CAF | N3 | CAJ | 109.0° | 109.5° |
| N3 | CAF | HAF1 | 108.1° | 109.5° |
| N3 | CAF | HAF2 | 108.2° | 109.5° |
| F26 | CAE | HAE1 | 109.2° | 109.5° |
| F26 | CAE | HAE2 | 109.3° | 109.5° |
| CAA | N3 | CAH | 108.5° | 109.4° |
| CAA | N3 | CAJ | 113.2° | 109.5° |
| N3 | CAA | HAA1 | 109.5° | 109.5° |
| N3 | CAA | HAA2 | 109.5° | 109.5° |
| N3 | CAA | HAA3 | 109.5° | 109.4° |
| CAH | N3 | CAJ | 110.1° | 109.5° |
| N3 | CAH | HAH1 | 109.5° | 109.4° |
| N3 | CAH | HAH2 | 109.5° | 109.5° |
| N3 | CAH | HAH3 | 109.5° | 109.5° |
| CAK | CAJ | N3 | 113.2° | 109.5° |
| CAJ | CAK | CAL | 112.4° | 109.5° |
| CAK | CAJ | HAJ1 | 108.5° | 109.5° |
| CAK | CAJ | HAJ2 | 108.5° | 109.5° |
| CAJ | CAK | HAK1 | 108.7° | 109.5° |
| CAJ | CAK | HAK2 | 108.7° | 109.5° |
| N3 | CAJ | HAJ1 | 108.5° | 109.5° |
| N3 | CAJ | HAJ2 | 108.5° | 109.5° |
| CAK | CAL | CAM | 113.1° | 109.5° |
| CAL | CAK | HAK1 | 108.7° | 109.5° |
| CAL | CAK | HAK2 | 108.7° | 109.5° |
| CAK | CAL | HAL1 | 108.5° | 109.5° |
| CAK | CAL | HAL2 | 108.6° | 109.5° |
| CAL | CAM | OAB | 123.7° | 120.0° |
| CAL | CAM | OAC | 114.2° | 120.0° |
| CAM | CAL | HAL1 | 108.6° | 109.5° |
| CAM | CAL | HAL2 | 108.5° | 109.5° |
| OAB | CAM | OAC | 122.0° | 120.0° |
| CAM | OAC | HAC | 109.5° | 117.0° |
| HAF1 | CAF | HAF2 | 109.5° | 109.5° |
| HAE1 | CAE | HAE2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.4° | 109.5° |
| HAH1 | CAH | HAH2 | 109.5° | 109.5° |
| HAH1 | CAH | HAH3 | 109.5° | 109.5° |
| HAH2 | CAH | HAH3 | 109.5° | 109.5° |
| HAJ1 | CAJ | HAJ2 | 109.5° | 109.5° |
| HAK1 | CAK | HAK2 | 109.5° | 109.5° |
| HAL1 | CAL | HAL2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAE | CAF | N3 | HAF1 | 120.8° | 120.0° |
| CAE | CAF | N3 | HAF2 | 120.8° | 120.0° |
| CAF | CAE | F26 | HAE1 | 120.1° | 120.0° |
| CAF | CAE | F26 | HAE2 | 120.1° | 120.0° |
| CAE | CAF | N3 | CAA | 65.8° | 60.0° |
| CAE | CAF | N3 | CAH | 177.3° | 60.0° |
| CAE | CAF | N3 | CAJ | 59.4° | 180.0° |
| CAE | CAF | HAF1 | HAF2 | 117.6° | 120.0° |
| CAF | CAE | HAE1 | HAE2 | 119.6° | 120.0° |
| N3 | CAF | CAE | F26 | 83.9° | 180.0° |
| CAF | N3 | CAA | CAH | 114.7° | 120.0° |
| CAF | N3 | CAA | CAJ | 122.8° | 120.0° |
| CAF | N3 | CAH | CAJ | 117.1° | 120.0° |
| CAF | N3 | CAJ | CAK | 167.7° | 180.0° |
| N3 | CAF | HAF1 | HAF2 | 117.6° | 120.0° |
| N3 | CAF | CAE | HAE1 | 156.0° | 60.0° |
| N3 | CAF | CAE | HAE2 | 36.2° | 60.0° |
| CAF | N3 | CAA | HAA1 | 180.0° | 60.0° |
| CAF | N3 | CAA | HAA2 | 60.0° | 180.0° |
| CAF | N3 | CAA | HAA3 | 60.0° | 60.0° |
| CAF | N3 | CAH | HAH1 | 180.0° | 60.0° |
| CAF | N3 | CAH | HAH2 | 60.0° | 180.0° |
| CAF | N3 | CAH | HAH3 | 60.0° | 60.0° |
| CAF | N3 | CAJ | HAJ1 | 71.7° | 60.0° |
| CAF | N3 | CAJ | HAJ2 | 47.2° | 60.0° |
| F26 | CAE | CAF | HAF1 | 155.4° | 60.0° |
| F26 | CAE | CAF | HAF2 | 36.9° | 60.0° |
| F26 | CAE | HAE1 | HAE2 | 119.6° | 120.0° |
| CAA | N3 | CAH | CAJ | 124.5° | 120.0° |
| CAA | N3 | CAJ | CAK | 68.6° | 60.0° |
| CAA | N3 | CAF | HAF1 | 54.9° | 180.0° |
| CAA | N3 | CAF | HAF2 | 173.4° | 60.0° |
| N3 | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| N3 | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| N3 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| CAA | N3 | CAH | HAH1 | 61.6° | 180.0° |
| CAA | N3 | CAH | HAH2 | 58.4° | 60.0° |
| CAA | N3 | CAH | HAH3 | 178.4° | 60.0° |
| CAA | N3 | CAJ | HAJ1 | 52.0° | 60.0° |
| CAA | N3 | CAJ | HAJ2 | 170.9° | 180.0° |
| CAH | N3 | CAJ | CAK | 53.2° | 60.0° |
| CAH | N3 | CAF | HAF1 | 62.0° | 60.0° |
| CAH | N3 | CAF | HAF2 | 56.5° | 180.0° |
| CAH | N3 | CAA | HAA1 | 65.4° | 60.0° |
| CAH | N3 | CAA | HAA2 | 174.6° | 60.0° |
| CAH | N3 | CAA | HAA3 | 54.7° | 180.0° |
| N3 | CAH | HAH1 | HAH2 | 120.0° | 120.0° |
| N3 | CAH | HAH1 | HAH3 | 120.0° | 120.0° |
| N3 | CAH | HAH2 | HAH3 | 120.0° | 120.0° |
| CAH | N3 | CAJ | HAJ1 | 173.7° | 180.0° |
| CAH | N3 | CAJ | HAJ2 | 67.4° | 60.0° |
| CAK | CAJ | N3 | HAJ1 | 120.5° | 120.0° |
| CAK | CAJ | N3 | HAJ2 | 120.5° | 120.0° |
| CAJ | CAK | CAL | HAK1 | 120.5° | 120.0° |
| CAJ | CAK | CAL | HAK2 | 120.4° | 120.0° |
| CAJ | CAK | CAL | CAM | 88.6° | 180.0° |
| CAK | CAJ | HAJ1 | HAJ2 | 118.3° | 120.0° |
| CAJ | CAK | HAK1 | HAK2 | 118.7° | 120.0° |
| CAJ | CAK | CAL | HAL1 | 31.9° | 60.0° |
| CAJ | CAK | CAL | HAL2 | 150.9° | 60.0° |
| N3 | CAJ | CAK | CAL | 162.9° | 180.0° |
| CAJ | N3 | CAF | HAF1 | 179.9° | 60.0° |
| CAJ | N3 | CAF | HAF2 | 61.4° | 60.0° |
| CAJ | N3 | CAA | HAA1 | 57.2° | 180.0° |
| CAJ | N3 | CAA | HAA2 | 62.8° | 60.0° |
| CAJ | N3 | CAA | HAA3 | 177.3° | 60.0° |
| CAJ | N3 | CAH | HAH1 | 62.9° | 60.0° |
| CAJ | N3 | CAH | HAH2 | 177.1° | 60.0° |
| CAJ | N3 | CAH | HAH3 | 57.1° | 180.0° |
| N3 | CAJ | HAJ1 | HAJ2 | 118.3° | 120.0° |
| N3 | CAJ | CAK | HAK1 | 42.5° | 60.0° |
| N3 | CAJ | CAK | HAK2 | 76.6° | 60.0° |
| CAK | CAL | CAM | HAL1 | 120.5° | 120.0° |
| CAK | CAL | CAM | HAL2 | 120.5° | 120.0° |
| CAK | CAL | CAM | OAB | 5.1° | 0.0° |
| CAK | CAL | CAM | OAC | 175.4° | 180.0° |
| CAL | CAK | CAJ | HAJ1 | 42.4° | 60.0° |
| CAL | CAK | CAJ | HAJ2 | 76.5° | 60.0° |
| CAL | CAK | HAK1 | HAK2 | 118.6° | 120.0° |
| CAK | CAL | HAL1 | HAL2 | 118.4° | 120.0° |
| CAL | CAM | OAB | OAC | 179.5° | 180.0° |
| CAM | CAL | CAK | HAK1 | 150.9° | 60.0° |
| CAM | CAL | CAK | HAK2 | 31.8° | 60.0° |
| CAM | CAL | HAL1 | HAL2 | 118.3° | 120.0° |
| CAL | CAM | OAC | HAC | 179.5° | 180.0° |
| OAB | CAM | CAL | HAL1 | 115.5° | 120.0° |
| OAB | CAM | CAL | HAL2 | 125.6° | 120.0° |
| OAB | CAM | OAC | HAC | 0.0° | 0.0° |
| OAC | CAM | CAL | HAL1 | 64.0° | 60.0° |
| OAC | CAM | CAL | HAL2 | 54.9° | 60.0° |
| HAF1 | CAF | CAE | HAE1 | 35.3° | 60.0° |
| HAF1 | CAF | CAE | HAE2 | 84.5° | 180.0° |
| HAF2 | CAF | CAE | HAE1 | 83.2° | 180.0° |
| HAF2 | CAF | CAE | HAE2 | 157.0° | 60.0° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAH1 | CAH | HAH2 | HAH3 | 120.0° | 120.0° |
| HAJ1 | CAJ | CAK | HAK1 | 78.0° | 60.0° |
| HAJ1 | CAJ | CAK | HAK2 | 162.9° | 180.0° |
| HAJ2 | CAJ | CAK | HAK1 | 163.0° | 180.0° |
| HAJ2 | CAJ | CAK | HAK2 | 43.9° | 60.0° |
| HAK1 | CAK | CAL | HAL1 | 88.5° | 180.0° |
| HAK1 | CAK | CAL | HAL2 | 30.4° | 60.0° |
| HAK2 | CAK | CAL | HAL1 | 152.4° | 60.0° |
| HAK2 | CAK | CAL | HAL2 | 88.7° | 180.0° |
