5P1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C11 | sing | 1.36Å | 1.38Å | |
| C10 | C11 | sing | 1.41Å | 1.40Å | Aromatic |
| C10 | C09 | doub | 1.36Å | 1.39Å | Aromatic |
| C11 | C13 | doub | 1.35Å | 1.40Å | Aromatic |
| C09 | C08 | sing | 1.41Å | 1.43Å | Aromatic |
| C13 | N14 | sing | 1.37Å | 1.39Å | Aromatic |
| C08 | N14 | sing | 1.37Å | 1.33Å | Aromatic |
| C08 | N07 | doub | 1.33Å | 1.38Å | Aromatic |
| N14 | C15 | sing | 1.37Å | 1.40Å | Aromatic |
| F19 | C16 | sing | 1.40Å | 1.33Å | |
| N07 | C06 | sing | 1.34Å | 1.35Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| C15 | C06 | doub | 1.36Å | 1.41Å | Aromatic |
| C16 | F17 | sing | 1.40Å | 1.33Å | |
| C16 | F18 | sing | 1.40Å | 1.33Å | |
| C06 | C05 | sing | 1.48Å | 1.40Å | |
| C20 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C02 | O01 | sing | 1.36Å | 1.38Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| O12 | H6 | sing | 0.97Å | 0.95Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C11 | C10 | 119.5° | 119.9° |
| O12 | C11 | C13 | 120.3° | 119.9° |
| C11 | O12 | H6 | 109.5° | 113.9° |
| C11 | C10 | C09 | 118.7° | 119.7° |
| C10 | C11 | C13 | 120.2° | 120.2° |
| C11 | C10 | H5 | 120.7° | 120.2° |
| C10 | C09 | C08 | 118.9° | 119.5° |
| C10 | C09 | H4 | 120.5° | 120.3° |
| C09 | C10 | H5 | 120.7° | 120.2° |
| C11 | C13 | N14 | 120.6° | 120.5° |
| C11 | C13 | H7 | 119.7° | 119.7° |
| C09 | C08 | N14 | 122.1° | 119.7° |
| C09 | C08 | N07 | 128.8° | 132.1° |
| C08 | C09 | H4 | 120.5° | 120.2° |
| C13 | N14 | C08 | 119.5° | 120.5° |
| C13 | N14 | C15 | 132.6° | 132.3° |
| N14 | C13 | H7 | 119.7° | 119.7° |
| N14 | C08 | N07 | 109.1° | 108.2° |
| C08 | N14 | C15 | 107.9° | 107.2° |
| C08 | N07 | C06 | 109.3° | 109.2° |
| N14 | C15 | C16 | 125.4° | 126.5° |
| N14 | C15 | C06 | 107.1° | 107.1° |
| F19 | C16 | C15 | 109.2° | 109.5° |
| F19 | C16 | F17 | 109.5° | 109.5° |
| F19 | C16 | F18 | 109.3° | 109.5° |
| N07 | C06 | C15 | 106.6° | 108.2° |
| N07 | C06 | C05 | 123.8° | 125.9° |
| C16 | C15 | C06 | 127.5° | 126.4° |
| C15 | C16 | F17 | 109.4° | 109.5° |
| C15 | C16 | F18 | 111.2° | 109.5° |
| C15 | C06 | C05 | 129.6° | 125.9° |
| F17 | C16 | F18 | 108.3° | 109.4° |
| C06 | C05 | C20 | 120.6° | 120.1° |
| C06 | C05 | C04 | 120.3° | 120.1° |
| C05 | C20 | C21 | 120.3° | 120.0° |
| C20 | C05 | C04 | 119.2° | 119.8° |
| C05 | C20 | H8 | 119.8° | 120.0° |
| C20 | C21 | C02 | 120.3° | 120.0° |
| C21 | C20 | H8 | 119.9° | 120.1° |
| C20 | C21 | H9 | 119.8° | 120.0° |
| C05 | C04 | C03 | 120.7° | 119.9° |
| C05 | C04 | H3 | 119.7° | 120.0° |
| C21 | C02 | C03 | 119.5° | 120.1° |
| C21 | C02 | O01 | 120.4° | 119.9° |
| C02 | C21 | H9 | 119.9° | 120.0° |
| C04 | C03 | C02 | 120.1° | 120.1° |
| C04 | C03 | H2 | 119.9° | 120.0° |
| C03 | C04 | H3 | 119.6° | 120.0° |
| C03 | C02 | O01 | 120.1° | 120.0° |
| C02 | C03 | H2 | 120.0° | 120.0° |
| C02 | O01 | H1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C11 | C10 | C13 | 179.6° | 180.0° |
| O12 | C11 | C10 | C09 | 179.9° | 180.0° |
| O12 | C11 | C13 | N14 | 180.0° | 180.0° |
| O12 | C11 | C10 | H5 | 0.0° | 0.0° |
| O12 | C11 | C13 | H7 | 0.1° | 0.0° |
| C11 | C10 | C09 | H5 | 180.0° | 180.0° |
| C11 | C10 | C09 | C08 | 0.1° | 0.0° |
| C10 | C11 | C13 | N14 | 0.4° | 0.0° |
| C11 | C10 | C09 | H4 | 179.9° | 180.0° |
| C10 | C11 | O12 | H6 | 180.0° | 0.0° |
| C10 | C11 | C13 | H7 | 179.6° | 180.0° |
| C09 | C10 | C11 | C13 | 0.4° | 0.0° |
| C10 | C09 | C08 | H4 | 180.0° | 179.9° |
| C10 | C09 | C08 | N14 | 0.1° | 0.0° |
| C10 | C09 | C08 | N07 | 180.0° | 179.7° |
| C11 | C13 | N14 | H7 | 180.0° | 180.0° |
| C11 | C13 | N14 | C08 | 0.2° | 0.0° |
| C11 | C13 | N14 | C15 | 179.9° | 180.0° |
| C13 | C11 | C10 | H5 | 179.6° | 180.0° |
| C13 | C11 | O12 | H6 | 0.4° | 180.0° |
| C09 | C08 | N14 | C13 | 0.1° | 0.0° |
| C09 | C08 | N14 | N07 | 179.9° | 179.8° |
| C09 | C08 | N14 | C15 | 179.9° | 180.0° |
| C09 | C08 | N07 | C06 | 179.7° | 179.7° |
| C08 | C09 | C10 | H5 | 179.9° | 179.9° |
| C13 | N14 | C08 | C15 | 179.9° | 180.0° |
| C13 | N14 | C08 | N07 | 180.0° | 179.8° |
| C13 | N14 | C15 | C16 | 0.1° | 0.0° |
| C13 | N14 | C15 | C06 | 179.8° | 179.6° |
| N14 | C08 | N07 | C06 | 0.2° | 0.0° |
| C08 | N14 | C15 | C16 | 179.9° | 180.0° |
| C08 | N14 | C15 | C06 | 0.1° | 0.4° |
| N14 | C08 | C09 | H4 | 179.9° | 180.0° |
| C08 | N14 | C13 | H7 | 179.9° | 180.0° |
| N07 | C08 | N14 | C15 | 0.0° | 0.3° |
| C08 | N07 | C06 | C15 | 0.2° | 0.2° |
| C08 | N07 | C06 | C05 | 179.6° | 180.0° |
| N07 | C08 | C09 | H4 | 0.0° | 0.3° |
| N14 | C15 | C16 | F19 | 35.2° | 24.2° |
| N14 | C15 | C06 | N07 | 0.2° | 0.4° |
| N14 | C15 | C16 | C06 | 179.7° | 179.6° |
| N14 | C15 | C16 | F17 | 84.6° | 95.8° |
| N14 | C15 | C16 | F18 | 155.9° | 144.2° |
| N14 | C15 | C06 | C05 | 179.5° | 179.9° |
| C15 | N14 | C13 | H7 | 0.1° | 0.1° |
| F19 | C16 | C15 | F17 | 119.8° | 120.0° |
| F19 | C16 | C15 | F18 | 120.6° | 120.0° |
| F19 | C16 | C15 | C06 | 144.5° | 155.4° |
| F19 | C16 | F17 | F18 | 119.1° | 120.0° |
| N07 | C06 | C15 | C16 | 180.0° | 180.0° |
| N07 | C06 | C15 | C05 | 179.3° | 179.7° |
| N07 | C06 | C05 | C20 | 55.7° | 43.6° |
| N07 | C06 | C05 | C04 | 123.1° | 136.4° |
| C15 | C16 | F17 | F18 | 121.3° | 120.0° |
| C16 | C15 | C06 | C05 | 0.8° | 0.2° |
| C06 | C15 | C16 | F17 | 95.7° | 84.6° |
| C06 | C15 | C16 | F18 | 23.8° | 35.3° |
| C15 | C06 | C05 | C20 | 125.1° | 136.8° |
| C15 | C06 | C05 | C04 | 56.1° | 43.3° |
| C06 | C05 | C20 | C04 | 178.7° | 180.0° |
| C06 | C05 | C20 | C21 | 179.2° | 179.8° |
| C06 | C05 | C04 | C03 | 179.5° | 180.0° |
| C06 | C05 | C04 | H3 | 0.5° | 0.1° |
| C06 | C05 | C20 | H8 | 0.8° | 0.0° |
| C05 | C20 | C21 | H8 | 180.0° | 179.8° |
| C05 | C20 | C21 | C02 | 0.0° | 0.5° |
| C20 | C05 | C04 | C03 | 0.8° | 0.0° |
| C20 | C05 | C04 | H3 | 179.2° | 179.9° |
| C05 | C20 | C21 | H9 | 180.0° | 180.0° |
| C21 | C20 | C05 | C04 | 0.5° | 0.2° |
| C20 | C21 | C02 | H9 | 180.0° | 179.6° |
| C20 | C21 | C02 | C03 | 0.1° | 0.5° |
| C20 | C21 | C02 | O01 | 179.7° | 179.8° |
| C05 | C04 | C03 | H3 | 180.0° | 179.9° |
| C05 | C04 | C03 | C02 | 0.7° | 0.0° |
| C05 | C04 | C03 | H2 | 179.3° | 180.0° |
| C04 | C05 | C20 | H8 | 179.5° | 180.0° |
| C21 | C02 | C03 | C04 | 0.2° | 0.2° |
| C21 | C02 | C03 | O01 | 179.8° | 179.7° |
| C21 | C02 | O01 | H1 | 180.0° | 90.3° |
| C21 | C02 | C03 | H2 | 179.8° | 179.7° |
| C02 | C21 | C20 | H8 | 180.0° | 179.7° |
| C04 | C03 | C02 | H2 | 180.0° | 180.0° |
| C04 | C03 | C02 | O01 | 180.0° | 179.9° |
| C03 | C02 | O01 | H1 | 0.2° | 90.0° |
| C02 | C03 | C04 | H3 | 179.3° | 179.9° |
| C03 | C02 | C21 | H9 | 179.9° | 180.0° |
| O01 | C02 | C03 | H2 | 0.0° | 0.0° |
| O01 | C02 | C21 | H9 | 0.3° | 0.3° |
| H2 | C03 | C04 | H3 | 0.7° | 0.1° |
| H4 | C09 | C10 | H5 | 0.1° | 0.0° |
| H8 | C20 | C21 | H9 | 0.0° | 0.2° |
