P7V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | N03 | sing | 1.42Å | 1.27Å | |
| N03 | C02 | sing | 1.35Å | 1.41Å | |
| O01 | C02 | doub | 1.22Å | 1.20Å | |
| C02 | C05 | sing | 1.48Å | 1.49Å | |
| C05 | C06 | doub | 1.36Å | 1.37Å | Aromatic |
| C05 | N16 | sing | 1.36Å | 1.41Å | Aromatic |
| C06 | O07 | sing | 1.34Å | 1.36Å | Aromatic |
| N16 | C08 | doub | 1.31Å | 1.33Å | Aromatic |
| O07 | C08 | sing | 1.35Å | 1.36Å | Aromatic |
| C08 | C09 | sing | 1.48Å | 1.48Å | |
| C09 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C09 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | BR1 | sing | 1.89Å | 1.95Å | |
| C06 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| N03 | H6 | sing | 0.97Å | 1.00Å | |
| O04 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | N03 | C02 | 115.0° | 120.0° |
| O04 | N03 | H6 | 122.5° | 120.1° |
| N03 | O04 | H7 | 109.5° | 113.9° |
| N03 | C02 | O01 | 120.9° | 120.0° |
| N03 | C02 | C05 | 116.1° | 120.0° |
| C02 | N03 | H6 | 122.5° | 119.9° |
| O01 | C02 | C05 | 122.9° | 120.0° |
| C02 | C05 | C06 | 129.3° | 126.4° |
| C02 | C05 | N16 | 123.7° | 126.3° |
| C06 | C05 | N16 | 107.0° | 107.3° |
| C05 | C06 | O07 | 109.9° | 107.2° |
| C05 | C06 | H1 | 125.0° | 126.4° |
| C05 | N16 | C08 | 104.5° | 108.4° |
| C06 | O07 | C08 | 104.4° | 108.1° |
| O07 | C06 | H1 | 125.0° | 126.4° |
| N16 | C08 | O07 | 114.2° | 109.0° |
| N16 | C08 | C09 | 125.4° | 125.5° |
| O07 | C08 | C09 | 120.4° | 125.5° |
| C08 | C09 | C10 | 119.2° | 120.2° |
| C08 | C09 | C15 | 120.2° | 120.1° |
| C10 | C09 | C15 | 120.7° | 119.7° |
| C09 | C10 | C11 | 119.8° | 119.9° |
| C09 | C10 | H2 | 120.1° | 120.1° |
| C09 | C15 | C14 | 119.6° | 119.9° |
| C09 | C15 | H5 | 120.3° | 120.1° |
| C10 | C11 | C12 | 118.7° | 120.2° |
| C11 | C10 | H2 | 120.1° | 120.1° |
| C10 | C11 | H3 | 120.7° | 120.0° |
| C15 | C14 | C12 | 118.9° | 120.1° |
| C15 | C14 | H4 | 120.5° | 119.9° |
| C14 | C15 | H5 | 120.2° | 120.0° |
| C11 | C12 | C14 | 122.3° | 120.2° |
| C11 | C12 | BR1 | 118.9° | 119.9° |
| C12 | C11 | H3 | 120.6° | 119.9° |
| C14 | C12 | BR1 | 118.7° | 119.9° |
| C12 | C14 | H4 | 120.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | N03 | C02 | H6 | 180.0° | 180.0° |
| O04 | N03 | C02 | O01 | 1.1° | 0.3° |
| O04 | N03 | C02 | C05 | 179.2° | 180.0° |
| N03 | C02 | O01 | C05 | 178.0° | 179.7° |
| N03 | C02 | C05 | C06 | 52.9° | 180.0° |
| N03 | C02 | C05 | N16 | 124.9° | 0.4° |
| C02 | N03 | O04 | H7 | 0.5° | 180.0° |
| O01 | C02 | C05 | C06 | 129.0° | 0.2° |
| O01 | C02 | C05 | N16 | 53.2° | 179.4° |
| O01 | C02 | N03 | H6 | 178.9° | 179.7° |
| C02 | C05 | C06 | N16 | 178.1° | 179.7° |
| C02 | C05 | C06 | O07 | 178.9° | 180.0° |
| C02 | C05 | N16 | C08 | 178.4° | 180.0° |
| C02 | C05 | C06 | H1 | 1.1° | 0.1° |
| C05 | C02 | N03 | H6 | 0.8° | 0.0° |
| C05 | C06 | O07 | H1 | 180.0° | 180.0° |
| C06 | C05 | N16 | C08 | 0.2° | 0.3° |
| C05 | C06 | O07 | C08 | 1.1° | 0.2° |
| N16 | C05 | C06 | O07 | 0.8° | 0.3° |
| C05 | N16 | C08 | O07 | 0.5° | 0.2° |
| C05 | N16 | C08 | C09 | 178.0° | 180.0° |
| N16 | C05 | C06 | H1 | 179.2° | 179.8° |
| C06 | O07 | C08 | N16 | 1.0° | 0.0° |
| C06 | O07 | C08 | C09 | 178.6° | 179.8° |
| N16 | C08 | O07 | C09 | 177.6° | 179.8° |
| N16 | C08 | C09 | C10 | 18.2° | 180.0° |
| N16 | C08 | C09 | C15 | 160.6° | 0.2° |
| O07 | C08 | C09 | C10 | 164.5° | 0.2° |
| O07 | C08 | C09 | C15 | 16.7° | 179.5° |
| C08 | O07 | C06 | H1 | 178.9° | 179.9° |
| C08 | C09 | C10 | C15 | 178.8° | 179.8° |
| C08 | C09 | C10 | C11 | 179.6° | 180.0° |
| C08 | C09 | C15 | C14 | 179.3° | 179.8° |
| C08 | C09 | C10 | H2 | 0.4° | 0.0° |
| C08 | C09 | C15 | H5 | 0.7° | 0.0° |
| C09 | C10 | C11 | H2 | 180.0° | 180.0° |
| C10 | C09 | C15 | C14 | 0.5° | 0.5° |
| C09 | C10 | C11 | C12 | 0.8° | 0.0° |
| C09 | C10 | C11 | H3 | 179.2° | 180.0° |
| C10 | C09 | C15 | H5 | 179.5° | 179.7° |
| C15 | C09 | C10 | C11 | 0.8° | 0.2° |
| C09 | C15 | C14 | H5 | 180.0° | 179.8° |
| C09 | C15 | C14 | C12 | 0.2° | 0.5° |
| C15 | C09 | C10 | H2 | 179.2° | 179.7° |
| C09 | C15 | C14 | H4 | 179.8° | 179.7° |
| C10 | C11 | C12 | H3 | 180.0° | 180.0° |
| C10 | C11 | C12 | C14 | 0.5° | 0.0° |
| C10 | C11 | C12 | BR1 | 179.6° | 180.0° |
| C15 | C14 | C12 | C11 | 0.2° | 0.2° |
| C15 | C14 | C12 | H4 | 180.0° | 179.8° |
| C15 | C14 | C12 | BR1 | 179.9° | 179.8° |
| C11 | C12 | C14 | BR1 | 179.9° | 180.0° |
| C12 | C11 | C10 | H2 | 179.2° | 180.0° |
| C11 | C12 | C14 | H4 | 179.8° | 180.0° |
| C14 | C12 | C11 | H3 | 179.5° | 180.0° |
| C12 | C14 | C15 | H5 | 179.8° | 179.7° |
| BR1 | C12 | C11 | H3 | 0.4° | 0.0° |
| BR1 | C12 | C14 | H4 | 0.1° | 0.0° |
| H2 | C10 | C11 | H3 | 0.8° | 0.0° |
| H4 | C14 | C15 | H5 | 0.2° | 0.1° |
| H6 | N03 | O04 | H7 | 179.5° | 0.0° |
