H26
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | PAT | doub | 1.48Å | 1.51Å | |
| PAT | OAE | sing | 1.61Å | 1.51Å | |
| PAT | OAC | sing | 1.61Å | 1.51Å | |
| PAT | CAJ | sing | 1.82Å | 1.81Å | |
| CAJ | CAH | sing | 1.53Å | 1.52Å | |
| CAH | OAN | sing | 1.43Å | 1.43Å | |
| OAN | CAG | sing | 1.43Å | 1.43Å | |
| CAG | CAI | sing | 1.53Å | 1.53Å | |
| CAI | N9 | sing | 1.46Å | 1.46Å | |
| N9 | C8 | sing | 1.36Å | 1.34Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.34Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.35Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.35Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | N3 | sing | 1.34Å | 1.36Å | |
| C5 | C6 | sing | 1.42Å | 1.39Å | |
| N3 | C2 | doub | 1.30Å | 1.34Å | |
| C2 | N1 | sing | 1.36Å | 1.34Å | |
| N1 | C6 | sing | 1.35Å | 1.36Å | |
| C6 | O6 | doub | 1.22Å | 1.37Å | |
| OAE | HOAE | sing | 0.97Å | 0.95Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAHA | sing | 1.09Å | 1.10Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | PAT | OAE | 114.5° | 109.5° |
| OAD | PAT | OAC | 113.1° | 109.4° |
| OAD | PAT | CAJ | 104.0° | 109.5° |
| OAE | PAT | OAC | 114.7° | 109.5° |
| OAE | PAT | CAJ | 103.8° | 109.5° |
| PAT | OAE | HOAE | 109.5° | 114.0° |
| OAC | PAT | CAJ | 105.2° | 109.5° |
| PAT | OAC | HOAC | 109.5° | 114.0° |
| PAT | CAJ | CAH | 107.0° | 109.5° |
| PAT | CAJ | HAJ | 110.3° | 109.5° |
| PAT | CAJ | HAJA | 110.9° | 109.5° |
| CAJ | CAH | OAN | 109.1° | 109.5° |
| CAH | CAJ | HAJ | 110.3° | 109.4° |
| CAH | CAJ | HAJA | 110.9° | 109.4° |
| CAJ | CAH | HAH | 109.6° | 109.4° |
| CAJ | CAH | HAHA | 109.6° | 109.4° |
| CAH | OAN | CAG | 111.3° | 114.0° |
| OAN | CAH | HAH | 109.6° | 109.5° |
| OAN | CAH | HAHA | 109.7° | 109.5° |
| OAN | CAG | CAI | 110.0° | 109.4° |
| OAN | CAG | HAG | 109.3° | 109.4° |
| OAN | CAG | HAGA | 109.2° | 109.5° |
| CAG | CAI | N9 | 110.9° | 109.4° |
| CAI | CAG | HAG | 109.3° | 109.5° |
| CAI | CAG | HAGA | 109.2° | 109.5° |
| CAG | CAI | HAI | 109.0° | 109.4° |
| CAG | CAI | HAIA | 108.7° | 109.5° |
| CAI | N9 | C8 | 125.4° | 126.3° |
| CAI | N9 | C4 | 126.5° | 126.3° |
| N9 | CAI | HAI | 109.0° | 109.5° |
| N9 | CAI | HAIA | 108.6° | 109.5° |
| C8 | N9 | C4 | 108.1° | 107.5° |
| N9 | C8 | N7 | 109.3° | 109.8° |
| N9 | C8 | H8 | 125.4° | 125.1° |
| N9 | C4 | C5 | 107.6° | 106.1° |
| N9 | C4 | N3 | 133.2° | 134.3° |
| C8 | N7 | C5 | 107.5° | 109.3° |
| N7 | C8 | H8 | 125.3° | 125.1° |
| N7 | C5 | C4 | 107.5° | 107.3° |
| N7 | C5 | C6 | 133.1° | 134.3° |
| C5 | C4 | N3 | 119.3° | 119.6° |
| C4 | C5 | C6 | 119.4° | 118.4° |
| C4 | N3 | C2 | 120.4° | 121.2° |
| C5 | C6 | N1 | 118.9° | 118.2° |
| C5 | C6 | O6 | 120.5° | 120.9° |
| N3 | C2 | N1 | 121.2° | 122.2° |
| N3 | C2 | H2 | 119.4° | 118.9° |
| C2 | N1 | C6 | 120.9° | 120.4° |
| N1 | C2 | H2 | 119.4° | 118.9° |
| C2 | N1 | HN1 | 119.6° | 119.8° |
| N1 | C6 | O6 | 120.6° | 120.9° |
| C6 | N1 | HN1 | 119.5° | 119.9° |
| HAJ | CAJ | HAJA | 107.5° | 109.5° |
| HAH | CAH | HAHA | 109.2° | 109.5° |
| HAG | CAG | HAGA | 109.8° | 109.6° |
| HAI | CAI | HAIA | 110.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | PAT | OAE | OAC | 133.1° | 120.0° |
| OAD | PAT | OAE | CAJ | 112.7° | 120.0° |
| OAD | PAT | OAC | CAJ | 112.8° | 120.0° |
| OAD | PAT | CAJ | CAH | 15.2° | 55.0° |
| OAD | PAT | OAE | HOAE | 138.1° | 60.0° |
| OAD | PAT | OAC | HOAC | 57.0° | 180.0° |
| OAD | PAT | CAJ | HAJ | 104.8° | 65.0° |
| OAD | PAT | CAJ | HAJA | 136.2° | 175.0° |
| OAE | PAT | OAC | CAJ | 113.4° | 120.0° |
| OAE | PAT | CAJ | CAH | 104.9° | 175.0° |
| OAE | PAT | OAC | HOAC | 169.3° | 60.0° |
| OAE | PAT | CAJ | HAJ | 135.1° | 55.0° |
| OAE | PAT | CAJ | HAJA | 16.1° | 65.0° |
| OAC | PAT | CAJ | CAH | 134.3° | 65.0° |
| OAC | PAT | OAE | HOAE | 4.9° | 60.0° |
| OAC | PAT | CAJ | HAJ | 14.3° | 175.0° |
| OAC | PAT | CAJ | HAJA | 104.7° | 55.0° |
| PAT | CAJ | CAH | HAJ | 120.0° | 120.0° |
| PAT | CAJ | CAH | HAJA | 121.0° | 120.1° |
| PAT | CAJ | CAH | OAN | 143.5° | 180.0° |
| CAJ | PAT | OAE | HOAE | 109.3° | 180.0° |
| CAJ | PAT | OAC | HOAC | 55.9° | 60.0° |
| PAT | CAJ | HAJ | HAJA | 121.0° | 120.0° |
| PAT | CAJ | CAH | HAH | 96.5° | 60.0° |
| PAT | CAJ | CAH | HAHA | 23.3° | 60.0° |
| CAJ | CAH | OAN | HAH | 120.0° | 120.0° |
| CAJ | CAH | OAN | HAHA | 120.1° | 120.0° |
| CAJ | CAH | OAN | CAG | 123.7° | 180.0° |
| CAH | CAJ | HAJ | HAJA | 121.0° | 119.9° |
| CAJ | CAH | HAH | HAHA | 120.1° | 119.9° |
| CAH | OAN | CAG | CAI | 91.3° | 180.0° |
| OAN | CAH | CAJ | HAJ | 23.4° | 60.0° |
| OAN | CAH | CAJ | HAJA | 95.6° | 60.0° |
| OAN | CAH | HAH | HAHA | 120.2° | 120.1° |
| CAH | OAN | CAG | HAG | 148.7° | 60.1° |
| CAH | OAN | CAG | HAGA | 28.5° | 60.0° |
| OAN | CAG | CAI | HAG | 120.0° | 119.9° |
| OAN | CAG | CAI | HAGA | 119.8° | 120.0° |
| OAN | CAG | CAI | N9 | 48.4° | 180.0° |
| CAG | OAN | CAH | HAH | 3.7° | 60.0° |
| CAG | OAN | CAH | HAHA | 116.2° | 60.0° |
| OAN | CAG | HAG | HAGA | 119.8° | 120.0° |
| OAN | CAG | CAI | HAI | 168.4° | 60.0° |
| OAN | CAG | CAI | HAIA | 71.0° | 60.0° |
| CAG | CAI | N9 | HAI | 120.0° | 119.9° |
| CAG | CAI | N9 | HAIA | 119.4° | 120.0° |
| CAG | CAI | N9 | C8 | 85.8° | 95.0° |
| CAG | CAI | N9 | C4 | 94.3° | 84.7° |
| CAI | CAG | HAG | HAGA | 119.8° | 120.1° |
| CAG | CAI | HAI | HAIA | 119.4° | 120.0° |
| CAI | N9 | C8 | C4 | 179.9° | 179.8° |
| CAI | N9 | C8 | N7 | 179.8° | 180.0° |
| CAI | N9 | C4 | C5 | 179.9° | 179.8° |
| CAI | N9 | C4 | N3 | 0.1° | 0.0° |
| N9 | CAI | CAG | HAG | 71.7° | 60.1° |
| N9 | CAI | CAG | HAGA | 168.2° | 60.0° |
| N9 | CAI | HAI | HAIA | 119.4° | 120.0° |
| CAI | N9 | C8 | H8 | 0.2° | 0.0° |
| N9 | C8 | N7 | H8 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.1° | 0.1° |
| C8 | N9 | C4 | C5 | 0.0° | 0.4° |
| C8 | N9 | C4 | N3 | 180.0° | 179.8° |
| C8 | N9 | CAI | HAI | 154.2° | 145.0° |
| C8 | N9 | CAI | HAIA | 33.6° | 25.0° |
| C4 | N9 | C8 | N7 | 0.0° | 0.2° |
| N9 | C4 | C5 | N7 | 0.1° | 0.4° |
| N9 | C4 | C5 | N3 | 180.0° | 179.8° |
| N9 | C4 | C5 | C6 | 179.9° | 179.8° |
| N9 | C4 | N3 | C2 | 180.0° | 180.0° |
| C4 | N9 | CAI | HAI | 25.6° | 35.2° |
| C4 | N9 | CAI | HAIA | 146.3° | 155.3° |
| C4 | N9 | C8 | H8 | 180.0° | 179.7° |
| C8 | N7 | C5 | C4 | 0.1° | 0.3° |
| C8 | N7 | C5 | C6 | 179.9° | 180.0° |
| N7 | C5 | C4 | C6 | 180.0° | 179.7° |
| N7 | C5 | C4 | N3 | 179.9° | 179.7° |
| N7 | C5 | C6 | N1 | 179.8° | 179.2° |
| N7 | C5 | C6 | O6 | 0.0° | 0.1° |
| C5 | N7 | C8 | H8 | 179.9° | 180.0° |
| C5 | C4 | N3 | C2 | 0.0° | 0.2° |
| C4 | C5 | C6 | N1 | 0.1° | 0.4° |
| C4 | C5 | C6 | O6 | 180.0° | 179.7° |
| N3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C4 | N3 | C2 | N1 | 0.1° | 0.0° |
| C4 | N3 | C2 | H2 | 179.9° | 179.9° |
| C5 | C6 | N1 | C2 | 0.2° | 0.6° |
| C5 | C6 | N1 | O6 | 179.9° | 179.3° |
| C5 | C6 | N1 | HN1 | 179.8° | 179.8° |
| N3 | C2 | N1 | H2 | 180.0° | 179.9° |
| N3 | C2 | N1 | C6 | 0.2° | 0.4° |
| N3 | C2 | N1 | HN1 | 179.8° | 180.0° |
| C2 | N1 | C6 | HN1 | 180.0° | 179.6° |
| C2 | N1 | C6 | O6 | 180.0° | 179.9° |
| C6 | N1 | C2 | H2 | 179.9° | 179.7° |
| O6 | C6 | N1 | HN1 | 0.0° | 0.5° |
| HAJ | CAJ | CAH | HAH | 143.5° | 180.0° |
| HAJ | CAJ | CAH | HAHA | 96.7° | 60.1° |
| HAJA | CAJ | CAH | HAH | 24.4° | 60.1° |
| HAJA | CAJ | CAH | HAHA | 144.3° | 180.0° |
| HAG | CAG | CAI | HAI | 48.3° | 179.9° |
| HAG | CAG | CAI | HAIA | 169.0° | 59.9° |
| HAGA | CAG | CAI | HAI | 71.8° | 60.0° |
| HAGA | CAG | CAI | HAIA | 48.8° | 180.0° |
| H2 | C2 | N1 | HN1 | 0.1° | 0.1° |
