QLI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAB | CAO | sing | 1.47Å | 1.48Å | |
| OAC | CAL | sing | 1.35Å | 1.25Å | |
| OAD | CAM | doub | 1.22Å | 1.25Å | |
| OAE | CAL | doub | 1.22Å | 1.22Å | |
| CAG | CAH | sing | 1.46Å | 1.37Å | |
| CAI | CAG | doub | 1.33Å | 1.37Å | |
| OAJ | CAP | sing | 1.43Å | 1.62Å | |
| CAK | CAA | doub | 1.33Å | 1.38Å | |
| CAK | OAJ | sing | 1.36Å | 1.35Å | |
| CAL | CAK | sing | 1.47Å | 1.45Å | |
| CAM | OAF | sing | 1.35Å | 1.25Å | |
| CAN | CAH | doub | 1.35Å | 1.38Å | |
| CAN | CAM | sing | 1.42Å | 1.48Å | |
| CAO | CAN | sing | 1.51Å | 1.53Å | |
| CAP | CAI | sing | 1.51Å | 1.43Å | |
| CAP | CAO | sing | 1.53Å | 1.52Å | |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAA | HAAA | sing | 1.08Å | 1.08Å | |
| NAB | HNAB | sing | 1.01Å | 1.00Å | |
| NAB | HNAA | sing | 1.01Å | 1.00Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| OAF | HOAF | sing | 0.97Å | 0.95Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAB | CAO | CAN | 109.4° | 109.4° |
| NAB | CAO | CAP | 106.6° | 109.7° |
| CAO | NAB | HNAB | 109.5° | 111.0° |
| CAO | NAB | HNAA | 109.5° | 111.0° |
| NAB | CAO | HAO | 113.0° | 109.4° |
| OAC | CAL | OAE | 126.9° | 120.0° |
| OAC | CAL | CAK | 115.3° | 120.0° |
| CAL | OAC | HOAC | 109.5° | 117.0° |
| OAD | CAM | OAF | 125.7° | 120.0° |
| OAD | CAM | CAN | 113.9° | 120.0° |
| OAE | CAL | CAK | 117.3° | 120.0° |
| CAH | CAG | CAI | 122.7° | 120.0° |
| CAG | CAH | CAN | 118.9° | 119.8° |
| CAH | CAG | HAG | 118.6° | 120.0° |
| CAG | CAH | HAH | 120.6° | 120.2° |
| CAG | CAI | CAP | 123.1° | 120.5° |
| CAI | CAG | HAG | 118.6° | 120.0° |
| CAG | CAI | HAI | 118.5° | 119.7° |
| CAP | OAJ | CAK | 116.5° | 117.0° |
| OAJ | CAP | CAI | 120.5° | 109.3° |
| OAJ | CAP | CAO | 95.3° | 109.7° |
| OAJ | CAP | HAP | 113.9° | 109.4° |
| CAA | CAK | OAJ | 124.4° | 120.0° |
| CAA | CAK | CAL | 121.0° | 120.0° |
| CAK | CAA | HAA | 120.0° | 120.0° |
| CAK | CAA | HAAA | 120.0° | 120.0° |
| OAJ | CAK | CAL | 114.6° | 120.0° |
| OAF | CAM | CAN | 120.2° | 120.0° |
| CAM | OAF | HOAF | 109.5° | 114.0° |
| CAH | CAN | CAM | 121.5° | 120.0° |
| CAH | CAN | CAO | 122.7° | 119.9° |
| CAN | CAH | HAH | 120.5° | 120.1° |
| CAM | CAN | CAO | 115.8° | 120.0° |
| CAN | CAO | CAP | 113.9° | 109.8° |
| CAN | CAO | HAO | 105.6° | 109.4° |
| CAI | CAP | CAO | 114.3° | 110.0° |
| CAP | CAI | HAI | 118.4° | 119.8° |
| CAI | CAP | HAP | 94.7° | 109.4° |
| CAP | CAO | HAO | 108.5° | 109.2° |
| CAO | CAP | HAP | 120.1° | 109.1° |
| HAA | CAA | HAAA | 120.0° | 120.0° |
| HNAB | NAB | HNAA | 109.4° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAB | CAO | CAP | OAJ | 133.4° | 169.3° |
| NAB | CAO | CAN | CAH | 108.4° | 84.8° |
| NAB | CAO | CAN | CAM | 70.5° | 95.2° |
| NAB | CAO | CAN | CAP | 119.2° | 120.4° |
| NAB | CAO | CAN | HAO | 121.9° | 119.8° |
| NAB | CAO | CAP | CAI | 99.6° | 70.5° |
| NAB | CAO | CAP | HAO | 122.0° | 119.9° |
| CAO | NAB | HNAB | HNAA | 120.0° | 123.9° |
| NAB | CAO | CAP | HAP | 11.9° | 49.5° |
| OAC | CAL | OAE | CAK | 171.2° | 179.9° |
| OAC | CAL | CAK | CAA | 162.1° | 0.1° |
| OAC | CAL | CAK | OAJ | 20.0° | 180.0° |
| OAD | CAM | OAF | CAN | 176.3° | 179.9° |
| OAD | CAM | CAN | CAH | 175.8° | 0.1° |
| OAD | CAM | CAN | CAO | 3.0° | 179.9° |
| OAD | CAM | OAF | HOAF | 0.0° | 0.1° |
| OAE | CAL | CAK | CAA | 25.7° | 179.9° |
| OAE | CAL | CAK | OAJ | 152.3° | 0.1° |
| OAE | CAL | OAC | HOAC | 0.0° | 0.1° |
| CAH | CAG | CAI | HAG | 180.0° | 179.7° |
| CAG | CAH | CAN | HAH | 180.0° | 180.0° |
| CAG | CAH | CAN | CAM | 179.4° | 178.0° |
| CAG | CAH | CAN | CAO | 0.7° | 2.0° |
| CAH | CAG | CAI | CAP | 14.8° | 1.3° |
| CAH | CAG | CAI | HAI | 165.2° | 178.7° |
| CAG | CAI | CAP | OAJ | 88.2° | 85.3° |
| CAI | CAG | CAH | CAN | 1.7° | 17.3° |
| CAG | CAI | CAP | HAI | 180.0° | 180.0° |
| CAG | CAI | CAP | CAO | 24.4° | 35.2° |
| CAI | CAG | CAH | HAH | 178.3° | 162.7° |
| CAG | CAI | CAP | HAP | 150.5° | 155.0° |
| CAP | OAJ | CAK | CAA | 119.0° | 5.4° |
| CAP | OAJ | CAK | CAL | 58.9° | 174.6° |
| OAJ | CAP | CAO | CAN | 105.8° | 70.5° |
| OAJ | CAP | CAI | CAO | 112.6° | 120.5° |
| OAJ | CAP | CAI | HAP | 121.3° | 119.7° |
| OAJ | CAP | CAO | HAP | 121.6° | 119.7° |
| OAJ | CAP | CAI | HAI | 91.8° | 94.7° |
| OAJ | CAP | CAO | HAO | 11.5° | 49.4° |
| CAA | CAK | OAJ | CAL | 177.9° | 180.0° |
| CAK | CAA | HAA | HAAA | 180.0° | 179.7° |
| CAK | OAJ | CAP | CAI | 47.9° | 84.8° |
| CAK | OAJ | CAP | CAO | 170.2° | 154.5° |
| OAJ | CAK | CAA | HAA | 177.8° | 174.3° |
| OAJ | CAK | CAA | HAAA | 2.3° | 6.0° |
| CAK | OAJ | CAP | HAP | 63.5° | 34.9° |
| CAL | CAK | CAA | HAA | 0.0° | 5.7° |
| CAL | CAK | CAA | HAAA | 180.0° | 174.0° |
| CAK | CAL | OAC | HOAC | 171.4° | 180.0° |
| OAF | CAM | CAN | CAH | 0.9° | 180.0° |
| OAF | CAM | CAN | CAO | 179.7° | 0.0° |
| CAH | CAN | CAM | CAO | 178.8° | 180.0° |
| CAH | CAN | CAO | CAP | 10.9° | 35.7° |
| CAN | CAH | CAG | HAG | 178.3° | 163.0° |
| CAH | CAN | CAO | HAO | 129.7° | 155.5° |
| CAM | CAN | CAO | CAP | 170.3° | 144.4° |
| CAN | CAM | OAF | HOAF | 176.2° | 180.0° |
| CAM | CAN | CAH | HAH | 0.6° | 2.0° |
| CAM | CAN | CAO | HAO | 51.5° | 24.6° |
| CAN | CAO | CAP | CAI | 21.2° | 49.8° |
| CAN | CAO | CAP | HAO | 117.2° | 119.9° |
| CAN | CAO | NAB | HNAB | 180.0° | 60.0° |
| CAN | CAO | NAB | HNAA | 60.0° | 176.1° |
| CAO | CAN | CAH | HAH | 179.4° | 178.0° |
| CAN | CAO | CAP | HAP | 132.7° | 169.7° |
| CAI | CAP | CAO | HAP | 111.4° | 120.0° |
| CAP | CAI | CAG | HAG | 165.2° | 178.4° |
| CAI | CAP | CAO | HAO | 138.4° | 169.7° |
| CAP | CAO | NAB | HNAB | 56.4° | 179.5° |
| CAP | CAO | NAB | HNAA | 63.6° | 55.6° |
| CAO | CAP | CAI | HAI | 155.6° | 144.8° |
| HNAB | NAB | CAO | HAO | 62.7° | 59.8° |
| HNAA | NAB | CAO | HAO | 177.3° | 64.1° |
| HAG | CAG | CAH | HAH | 1.7° | 17.0° |
| HAG | CAG | CAI | HAI | 14.8° | 1.6° |
| HAI | CAI | CAP | HAP | 29.5° | 25.0° |
| HAO | CAO | CAP | HAP | 110.1° | 70.4° |
