P7I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | CAE | sing | 1.47Å | 1.44Å | |
| NAA | HNAA | sing | 1.01Å | 1.00Å | |
| NAA | HNAB | sing | 1.01Å | 1.00Å | |
| PAG | OAB | sing | 1.61Å | 1.58Å | |
| OAB | HOAB | sing | 0.97Å | 0.95Å | |
| PAG | OAC | sing | 1.61Å | 1.52Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| OAD | PAG | doub | 1.48Å | 1.60Å | |
| CAE | CAF | sing | 1.53Å | 1.57Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| CAE | HAEA | sing | 1.09Å | 1.10Å | |
| CAF | PAG | sing | 1.82Å | 1.77Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAF | HAFA | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAE | NAA | HNAA | 109.5° | 111.1° |
| CAE | NAA | HNAB | 109.5° | 111.0° |
| NAA | CAE | CAF | 111.7° | 109.5° |
| NAA | CAE | HAE | 108.7° | 109.5° |
| NAA | CAE | HAEA | 108.8° | 109.5° |
| HNAA | NAA | HNAB | 109.5° | 111.0° |
| PAG | OAB | HOAB | 109.5° | 114.0° |
| OAB | PAG | OAC | 114.2° | 109.5° |
| OAB | PAG | OAD | 108.3° | 109.4° |
| OAB | PAG | CAF | 108.7° | 109.5° |
| PAG | OAC | HOAC | 109.5° | 114.0° |
| OAC | PAG | OAD | 113.9° | 109.4° |
| OAC | PAG | CAF | 105.0° | 109.5° |
| OAD | PAG | CAF | 106.3° | 109.5° |
| CAF | CAE | HAE | 108.8° | 109.4° |
| CAF | CAE | HAEA | 108.7° | 109.5° |
| CAE | CAF | PAG | 111.0° | 109.5° |
| CAE | CAF | HAF | 109.0° | 109.4° |
| CAE | CAF | HAFA | 109.0° | 109.5° |
| HAE | CAE | HAEA | 110.2° | 109.5° |
| PAG | CAF | HAF | 109.0° | 109.5° |
| PAG | CAF | HAFA | 108.9° | 109.5° |
| HAF | CAF | HAFA | 109.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAE | NAA | HNAA | HNAB | 120.0° | 124.0° |
| NAA | CAE | CAF | HAE | 120.0° | 120.0° |
| NAA | CAE | CAF | HAEA | 120.0° | 120.0° |
| NAA | CAE | HAE | HAEA | 119.1° | 120.0° |
| NAA | CAE | CAF | PAG | 172.8° | 180.0° |
| NAA | CAE | CAF | HAF | 67.2° | 60.0° |
| NAA | CAE | CAF | HAFA | 52.8° | 60.0° |
| HNAA | NAA | CAE | CAF | 180.0° | 180.0° |
| HNAA | NAA | CAE | HAE | 60.0° | 60.0° |
| HNAA | NAA | CAE | HAEA | 60.0° | 60.0° |
| HNAB | NAA | CAE | CAF | 60.0° | 56.0° |
| HNAB | NAA | CAE | HAE | 60.0° | 63.9° |
| HNAB | NAA | CAE | HAEA | 180.0° | 176.1° |
| OAB | PAG | OAC | OAD | 125.2° | 120.0° |
| OAB | PAG | OAC | CAF | 118.9° | 120.0° |
| OAB | PAG | OAC | HOAC | 125.1° | 60.0° |
| OAB | PAG | OAD | CAF | 116.6° | 120.0° |
| OAB | PAG | CAF | CAE | 56.6° | 65.0° |
| OAB | PAG | CAF | HAF | 63.4° | 175.0° |
| OAB | PAG | CAF | HAFA | 176.6° | 55.0° |
| HOAB | OAB | PAG | OAC | 128.1° | 60.0° |
| HOAB | OAB | PAG | OAD | 0.0° | 180.0° |
| HOAB | OAB | PAG | CAF | 115.1° | 60.0° |
| OAC | PAG | OAD | CAF | 115.1° | 120.0° |
| OAC | PAG | CAF | CAE | 179.2° | 175.0° |
| OAC | PAG | CAF | HAF | 59.2° | 55.0° |
| OAC | PAG | CAF | HAFA | 60.8° | 65.0° |
| HOAC | OAC | PAG | OAD | 0.0° | 60.0° |
| HOAC | OAC | PAG | CAF | 115.9° | 180.0° |
| OAD | PAG | CAF | CAE | 59.8° | 55.0° |
| OAD | PAG | CAF | HAF | 179.8° | 65.0° |
| OAD | PAG | CAF | HAFA | 60.3° | 175.0° |
| CAF | CAE | HAE | HAEA | 119.1° | 120.0° |
| CAE | CAF | PAG | HAF | 120.0° | 120.0° |
| CAE | CAF | PAG | HAFA | 120.0° | 120.0° |
| CAE | CAF | HAF | HAFA | 119.4° | 120.0° |
| HAE | CAE | CAF | PAG | 52.8° | 60.0° |
| HAE | CAE | CAF | HAF | 172.9° | 180.0° |
| HAE | CAE | CAF | HAFA | 67.1° | 60.0° |
| HAEA | CAE | CAF | PAG | 67.2° | 60.0° |
| HAEA | CAE | CAF | HAF | 52.8° | 60.0° |
| HAEA | CAE | CAF | HAFA | 172.8° | 180.0° |
| PAG | CAF | HAF | HAFA | 119.4° | 120.0° |
