QLZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N1 | doub | 1.33Å | 1.33Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.34Å | Aromatic |
| N3 | C2 | sing | 1.33Å | 1.36Å | Aromatic |
| NAD | C2 | sing | 1.38Å | 1.32Å | |
| N3 | C4 | doub | 1.32Å | 1.34Å | Aromatic |
| CAM | C4 | sing | 1.51Å | 1.56Å | |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | CAG | sing | 1.43Å | 1.41Å | |
| C5 | C6 | doub | 1.41Å | 1.40Å | Aromatic |
| C6 | NAE | sing | 1.38Å | 1.33Å | |
| CAA | CAK | sing | 1.53Å | 1.54Å | |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| OAP | CAB | sing | 1.43Å | 1.46Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAB | HABB | sing | 1.09Å | 1.10Å | |
| CAC | OAQ | sing | 1.43Å | 1.45Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAC | HACB | sing | 1.09Å | 1.10Å | |
| NAD | HNAD | sing | 0.97Å | 1.00Å | |
| NAD | HNAA | sing | 0.97Å | 1.00Å | |
| NAE | HNAE | sing | 0.97Å | 1.00Å | |
| NAE | HNAB | sing | 0.97Å | 1.00Å | |
| CAG | CAF | trip | 1.17Å | 1.18Å | |
| CAF | CAL | sing | 1.47Å | 1.45Å | |
| CAH | CAI | doub | 1.38Å | 1.40Å | Aromatic |
| CAH | CAT | sing | 1.39Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAW | sing | 1.39Å | 1.40Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAT | CAJ | doub | 1.39Å | 1.40Å | Aromatic |
| CAJ | CAU | sing | 1.38Å | 1.41Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | CAM | sing | 1.53Å | 1.52Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| CAU | CAL | sing | 1.51Å | 1.51Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| CAM | HAMA | sing | 1.09Å | 1.10Å | |
| OAP | CAT | sing | 1.36Å | 1.37Å | |
| CAW | OAQ | sing | 1.36Å | 1.36Å | |
| CAW | CAU | doub | 1.39Å | 1.38Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 120.4° | 120.7° |
| N1 | C2 | N3 | 121.2° | 122.0° |
| N1 | C2 | NAD | 118.5° | 119.0° |
| N1 | C6 | C5 | 119.3° | 118.9° |
| N1 | C6 | NAE | 119.8° | 120.5° |
| N3 | C2 | NAD | 120.2° | 119.1° |
| C2 | N3 | C4 | 121.7° | 121.2° |
| C2 | NAD | HNAD | 109.5° | 120.0° |
| C2 | NAD | HNAA | 109.5° | 119.9° |
| N3 | C4 | CAM | 117.8° | 120.5° |
| N3 | C4 | C5 | 117.3° | 119.1° |
| CAM | C4 | C5 | 124.8° | 120.4° |
| C4 | CAM | CAK | 113.0° | 109.4° |
| C4 | CAM | HAM | 108.3° | 109.5° |
| C4 | CAM | HAMA | 108.3° | 109.5° |
| C4 | C5 | CAG | 120.1° | 120.9° |
| C4 | C5 | C6 | 120.1° | 118.2° |
| CAG | C5 | C6 | 119.8° | 120.9° |
| C5 | CAG | CAF | 178.1° | 180.0° |
| C5 | C6 | NAE | 120.9° | 120.6° |
| C6 | NAE | HNAE | 109.5° | 120.0° |
| C6 | NAE | HNAB | 109.5° | 120.0° |
| CAK | CAA | HAA | 109.5° | 109.5° |
| CAK | CAA | HAAA | 109.5° | 109.5° |
| CAK | CAA | HAAB | 109.5° | 109.4° |
| CAA | CAK | CAM | 110.1° | 109.4° |
| CAA | CAK | HAK | 109.3° | 109.5° |
| CAA | CAK | HAKA | 109.3° | 109.5° |
| HAA | CAA | HAAA | 109.4° | 109.5° |
| HAA | CAA | HAAB | 109.5° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.4° |
| OAP | CAB | HAB | 109.5° | 109.5° |
| OAP | CAB | HABA | 109.5° | 109.5° |
| OAP | CAB | HABB | 109.5° | 109.5° |
| CAB | OAP | CAT | 109.8° | 117.0° |
| HAB | CAB | HABA | 109.4° | 109.5° |
| HAB | CAB | HABB | 109.5° | 109.5° |
| HABA | CAB | HABB | 109.5° | 109.5° |
| OAQ | CAC | HAC | 109.5° | 109.5° |
| OAQ | CAC | HACA | 109.5° | 109.4° |
| OAQ | CAC | HACB | 109.5° | 109.4° |
| CAC | OAQ | CAW | 112.8° | 117.0° |
| HAC | CAC | HACA | 109.5° | 109.4° |
| HAC | CAC | HACB | 109.5° | 109.5° |
| HACA | CAC | HACB | 109.5° | 109.5° |
| HNAD | NAD | HNAA | 109.5° | 120.1° |
| HNAE | NAE | HNAB | 109.4° | 119.9° |
| CAG | CAF | CAL | 177.9° | 180.0° |
| CAF | CAL | CAU | 109.9° | 109.5° |
| CAF | CAL | HAL | 109.3° | 109.5° |
| CAF | CAL | HALA | 109.3° | 109.5° |
| CAI | CAH | CAT | 120.6° | 120.0° |
| CAI | CAH | HAH | 119.7° | 120.0° |
| CAH | CAI | CAW | 119.5° | 120.0° |
| CAH | CAI | HAI | 120.3° | 120.0° |
| CAT | CAH | HAH | 119.7° | 120.0° |
| CAH | CAT | CAJ | 119.7° | 120.0° |
| CAH | CAT | OAP | 119.4° | 120.0° |
| CAW | CAI | HAI | 120.3° | 120.0° |
| CAI | CAW | OAQ | 121.6° | 120.0° |
| CAI | CAW | CAU | 120.5° | 120.0° |
| CAT | CAJ | CAU | 119.7° | 120.0° |
| CAT | CAJ | HAJ | 120.2° | 120.0° |
| CAJ | CAT | OAP | 120.9° | 120.0° |
| CAU | CAJ | HAJ | 120.2° | 120.0° |
| CAJ | CAU | CAL | 119.0° | 120.0° |
| CAJ | CAU | CAW | 120.1° | 120.0° |
| CAM | CAK | HAK | 109.3° | 109.5° |
| CAM | CAK | HAKA | 109.3° | 109.5° |
| CAK | CAM | HAM | 108.3° | 109.5° |
| CAK | CAM | HAMA | 108.3° | 109.4° |
| HAK | CAK | HAKA | 109.7° | 109.4° |
| CAU | CAL | HAL | 109.3° | 109.5° |
| CAU | CAL | HALA | 109.3° | 109.4° |
| CAL | CAU | CAW | 120.9° | 120.0° |
| HAL | CAL | HALA | 109.6° | 109.4° |
| HAM | CAM | HAMA | 110.6° | 109.5° |
| OAQ | CAW | CAU | 117.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | NAD | 179.1° | 180.0° |
| N1 | C2 | N3 | C4 | 1.8° | 0.0° |
| C2 | N1 | C6 | C5 | 1.7° | 0.0° |
| C2 | N1 | C6 | NAE | 178.9° | 180.0° |
| N1 | C2 | NAD | HNAD | 0.0° | 0.0° |
| N1 | C2 | NAD | HNAA | 120.0° | 179.9° |
| C6 | N1 | C2 | N3 | 0.0° | 0.0° |
| C6 | N1 | C2 | NAD | 179.0° | 180.0° |
| N1 | C6 | C5 | C4 | 1.7° | 0.0° |
| N1 | C6 | C5 | CAG | 177.4° | 179.9° |
| N1 | C6 | C5 | NAE | 179.4° | 180.0° |
| N1 | C6 | NAE | HNAE | 0.0° | 0.0° |
| N1 | C6 | NAE | HNAB | 120.0° | 180.0° |
| C2 | N3 | C4 | CAM | 178.6° | 179.9° |
| C2 | N3 | C4 | C5 | 1.8° | 0.0° |
| N3 | C2 | NAD | HNAD | 179.1° | 180.0° |
| N3 | C2 | NAD | HNAA | 59.1° | 0.1° |
| NAD | C2 | N3 | C4 | 177.2° | 180.0° |
| C2 | NAD | HNAD | HNAA | 120.0° | 179.9° |
| N3 | C4 | CAM | C5 | 176.6° | 179.9° |
| N3 | C4 | C5 | CAG | 179.1° | 179.9° |
| N3 | C4 | C5 | C6 | 0.0° | 0.0° |
| N3 | C4 | CAM | CAK | 96.8° | 90.0° |
| N3 | C4 | CAM | HAM | 143.1° | 150.0° |
| N3 | C4 | CAM | HAMA | 23.2° | 29.9° |
| CAM | C4 | C5 | CAG | 4.3° | 0.0° |
| CAM | C4 | C5 | C6 | 176.7° | 179.9° |
| C4 | CAM | CAK | CAA | 166.9° | 180.0° |
| C4 | CAM | CAK | HAM | 120.0° | 120.0° |
| C4 | CAM | CAK | HAMA | 120.0° | 119.9° |
| C4 | CAM | CAK | HAK | 46.9° | 60.0° |
| C4 | CAM | CAK | HAKA | 73.1° | 59.9° |
| C4 | CAM | HAM | HAMA | 118.5° | 120.0° |
| C4 | C5 | CAG | C6 | 179.1° | 179.9° |
| C4 | C5 | C6 | NAE | 178.9° | 180.0° |
| C4 | C5 | CAG | CAF | 170.6° | 77.9° |
| C5 | C4 | CAM | CAK | 86.5° | 90.1° |
| C5 | C4 | CAM | HAM | 33.5° | 30.0° |
| C5 | C4 | CAM | HAMA | 153.4° | 150.0° |
| CAG | C5 | C6 | NAE | 2.0° | 0.1° |
| C5 | CAG | CAF | CAL | 178.5° | 34.1° |
| C5 | C6 | NAE | HNAE | 179.4° | 180.0° |
| C5 | C6 | NAE | HNAB | 60.6° | 0.0° |
| C6 | C5 | CAG | CAF | 8.4° | 102.2° |
| C6 | NAE | HNAE | HNAB | 120.0° | 180.0° |
| CAK | CAA | HAA | HAAA | 120.0° | 120.0° |
| CAK | CAA | HAA | HAAB | 120.0° | 120.0° |
| CAK | CAA | HAAA | HAAB | 120.0° | 119.9° |
| CAA | CAK | CAM | HAK | 120.0° | 120.0° |
| CAA | CAK | CAM | HAKA | 120.0° | 120.0° |
| CAA | CAK | HAK | HAKA | 119.7° | 120.0° |
| CAA | CAK | CAM | HAM | 46.9° | 60.0° |
| CAA | CAK | CAM | HAMA | 73.1° | 60.0° |
| HAA | CAA | HAAA | HAAB | 120.0° | 120.1° |
| HAA | CAA | CAK | CAM | 180.0° | 60.0° |
| HAA | CAA | CAK | HAK | 59.9° | 60.0° |
| HAA | CAA | CAK | HAKA | 60.1° | 180.0° |
| HAAA | CAA | CAK | CAM | 60.0° | 60.1° |
| HAAA | CAA | CAK | HAK | 60.0° | 180.0° |
| HAAA | CAA | CAK | HAKA | 180.0° | 60.0° |
| HAAB | CAA | CAK | CAM | 60.0° | 180.0° |
| HAAB | CAA | CAK | HAK | 180.0° | 60.1° |
| HAAB | CAA | CAK | HAKA | 60.0° | 59.9° |
| OAP | CAB | HAB | HABA | 120.0° | 120.0° |
| OAP | CAB | HAB | HABB | 120.0° | 120.0° |
| OAP | CAB | HABA | HABB | 120.0° | 120.0° |
| CAB | OAP | CAT | CAH | 174.5° | 0.0° |
| CAB | OAP | CAT | CAJ | 6.9° | 180.0° |
| HAB | CAB | HABA | HABB | 120.0° | 120.0° |
| HAB | CAB | OAP | CAT | 180.0° | 60.0° |
| HABA | CAB | OAP | CAT | 60.0° | 180.0° |
| HABB | CAB | OAP | CAT | 60.0° | 60.0° |
| OAQ | CAC | HAC | HACA | 120.0° | 120.0° |
| OAQ | CAC | HAC | HACB | 120.0° | 120.0° |
| OAQ | CAC | HACA | HACB | 120.0° | 120.0° |
| CAC | OAQ | CAW | CAI | 1.8° | 0.1° |
| CAC | OAQ | CAW | CAU | 178.5° | 180.0° |
| HAC | CAC | HACA | HACB | 120.0° | 120.0° |
| HAC | CAC | OAQ | CAW | 180.0° | 60.0° |
| HACA | CAC | OAQ | CAW | 60.0° | 60.0° |
| HACB | CAC | OAQ | CAW | 60.0° | 180.0° |
| CAG | CAF | CAL | CAU | 4.8° | 136.2° |
| CAG | CAF | CAL | HAL | 124.8° | 103.8° |
| CAG | CAF | CAL | HALA | 115.2° | 16.1° |
| CAF | CAL | CAU | CAJ | 83.1° | 95.0° |
| CAF | CAL | CAU | HAL | 120.0° | 120.0° |
| CAF | CAL | CAU | HALA | 120.0° | 120.1° |
| CAF | CAL | HAL | HALA | 119.8° | 120.0° |
| CAF | CAL | CAU | CAW | 96.6° | 85.0° |
| CAI | CAH | CAT | HAH | 180.0° | 179.7° |
| CAH | CAI | CAW | HAI | 180.0° | 179.9° |
| CAI | CAH | CAT | CAJ | 0.6° | 0.1° |
| CAI | CAH | CAT | OAP | 179.3° | 179.9° |
| CAH | CAI | CAW | OAQ | 179.9° | 180.0° |
| CAH | CAI | CAW | CAU | 0.4° | 0.1° |
| CAT | CAH | CAI | CAW | 0.6° | 0.1° |
| CAT | CAH | CAI | HAI | 179.4° | 180.0° |
| CAH | CAT | CAJ | OAP | 178.6° | 180.0° |
| CAH | CAT | CAJ | CAU | 0.3° | 0.1° |
| CAH | CAT | CAJ | HAJ | 179.7° | 180.0° |
| HAH | CAH | CAI | CAW | 179.4° | 179.8° |
| HAH | CAH | CAI | HAI | 0.6° | 0.3° |
| HAH | CAH | CAT | CAJ | 179.4° | 179.7° |
| HAH | CAH | CAT | OAP | 0.8° | 0.3° |
| CAI | CAW | CAU | CAJ | 1.4° | 0.1° |
| CAI | CAW | CAU | CAL | 178.8° | 179.9° |
| CAI | CAW | OAQ | CAU | 179.7° | 179.9° |
| HAI | CAI | CAW | OAQ | 0.1° | 0.0° |
| HAI | CAI | CAW | CAU | 179.6° | 180.0° |
| CAT | CAJ | CAU | HAJ | 180.0° | 179.9° |
| CAT | CAJ | CAU | CAL | 178.9° | 180.0° |
| CAT | CAJ | CAU | CAW | 1.4° | 0.1° |
| CAJ | CAU | CAL | CAW | 179.8° | 180.0° |
| CAJ | CAU | CAL | HAL | 36.8° | 145.0° |
| CAJ | CAU | CAL | HALA | 156.8° | 25.0° |
| CAU | CAJ | CAT | OAP | 178.3° | 180.0° |
| CAJ | CAU | CAW | OAQ | 178.9° | 180.0° |
| HAJ | CAJ | CAU | CAL | 1.1° | 0.0° |
| HAJ | CAJ | CAT | OAP | 1.7° | 0.0° |
| HAJ | CAJ | CAU | CAW | 178.6° | 180.0° |
| CAM | CAK | HAK | HAKA | 119.7° | 120.0° |
| CAK | CAM | HAM | HAMA | 118.5° | 120.0° |
| HAK | CAK | CAM | HAM | 73.1° | 60.0° |
| HAK | CAK | CAM | HAMA | 166.9° | 180.0° |
| HAKA | CAK | CAM | HAM | 166.9° | 180.0° |
| HAKA | CAK | CAM | HAMA | 46.9° | 60.0° |
| CAU | CAL | HAL | HALA | 119.8° | 119.9° |
| CAL | CAU | CAW | OAQ | 0.9° | 0.0° |
| HAL | CAL | CAU | CAW | 143.4° | 35.0° |
| HALA | CAL | CAU | CAW | 23.4° | 154.9° |
