5OF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O09 | C08 | doub | 1.22Å | 1.23Å | |
| O01 | C02 | doub | 1.21Å | 1.28Å | |
| C08 | N07 | sing | 1.35Å | 1.32Å | |
| C08 | C10 | sing | 1.47Å | 1.46Å | |
| N07 | N06 | sing | 1.39Å | 1.38Å | |
| C11 | C10 | doub | 1.39Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | C15 | sing | 1.41Å | 1.38Å | Aromatic |
| N06 | C05 | doub | 1.30Å | 1.31Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C05 | sing | 1.46Å | 1.45Å | |
| C15 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.54Å | |
| C02 | C04 | sing | 1.51Å | 1.53Å | |
| C02 | O03 | sing | 1.34Å | 1.26Å | |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| O03 | H2 | sing | 0.97Å | 0.95Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| N07 | H5 | sing | 0.97Å | 1.00Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O09 | C08 | N07 | 119.9° | 120.6° |
| O09 | C08 | C10 | 122.7° | 120.6° |
| O01 | C02 | C04 | 120.2° | 120.0° |
| O01 | C02 | O03 | 119.6° | 120.0° |
| N07 | C08 | C10 | 117.4° | 118.7° |
| C08 | N07 | N06 | 126.2° | 121.8° |
| C08 | N07 | H5 | 116.9° | 119.1° |
| C08 | C10 | C11 | 120.8° | 122.0° |
| C08 | C10 | C15 | 118.3° | 118.2° |
| N07 | N06 | C05 | 116.9° | 122.7° |
| N06 | N07 | H5 | 116.9° | 119.1° |
| C10 | C11 | C12 | 122.4° | 119.5° |
| C11 | C10 | C15 | 120.9° | 119.8° |
| C10 | C11 | H6 | 118.8° | 120.2° |
| C11 | C12 | C13 | 118.1° | 120.7° |
| C12 | C11 | H6 | 118.8° | 120.2° |
| C11 | C12 | H7 | 120.9° | 119.7° |
| C10 | C15 | C05 | 118.2° | 118.6° |
| C10 | C15 | C14 | 117.3° | 119.6° |
| N06 | C05 | C15 | 123.0° | 120.0° |
| N06 | C05 | C04 | 115.6° | 120.0° |
| C12 | C13 | C14 | 119.8° | 120.7° |
| C12 | C13 | H1 | 120.1° | 119.7° |
| C13 | C12 | H7 | 120.9° | 119.6° |
| C05 | C15 | C14 | 124.5° | 121.9° |
| C15 | C05 | C04 | 121.3° | 120.0° |
| C15 | C14 | C13 | 121.5° | 119.6° |
| C15 | C14 | H8 | 119.2° | 120.2° |
| C05 | C04 | C02 | 111.3° | 109.5° |
| C05 | C04 | H3 | 109.0° | 109.5° |
| C05 | C04 | H4 | 109.0° | 109.4° |
| C04 | C02 | O03 | 120.2° | 120.0° |
| C02 | C04 | H3 | 109.0° | 109.5° |
| C02 | C04 | H4 | 109.0° | 109.5° |
| C02 | O03 | H2 | 109.5° | 117.0° |
| C14 | C13 | H1 | 120.1° | 119.6° |
| C13 | C14 | H8 | 119.3° | 120.2° |
| H3 | C04 | H4 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O09 | C08 | N07 | C10 | 178.8° | 180.0° |
| O09 | C08 | N07 | N06 | 177.1° | 180.0° |
| O09 | C08 | C10 | C11 | 1.5° | 0.3° |
| O09 | C08 | C10 | C15 | 177.4° | 180.0° |
| O09 | C08 | N07 | H5 | 3.0° | 0.0° |
| O01 | C02 | C04 | C05 | 70.6° | 0.0° |
| O01 | C02 | C04 | O03 | 178.5° | 179.9° |
| O01 | C02 | O03 | H2 | 0.0° | 0.1° |
| O01 | C02 | C04 | H3 | 169.1° | 120.0° |
| O01 | C02 | C04 | H4 | 49.7° | 120.0° |
| C08 | N07 | N06 | H5 | 180.0° | 180.0° |
| N07 | C08 | C10 | C11 | 179.8° | 179.7° |
| N07 | C08 | C10 | C15 | 1.3° | 0.0° |
| C08 | N07 | N06 | C05 | 2.9° | 0.0° |
| C10 | C08 | N07 | N06 | 1.7° | 0.0° |
| C08 | C10 | C11 | C15 | 178.9° | 179.7° |
| C08 | C10 | C11 | C12 | 178.6° | 179.8° |
| C08 | C10 | C15 | C05 | 2.1° | 0.0° |
| C08 | C10 | C15 | C14 | 178.9° | 180.0° |
| C10 | C08 | N07 | H5 | 178.3° | 180.0° |
| C08 | C10 | C11 | H6 | 1.3° | 0.3° |
| N07 | N06 | C05 | C15 | 3.6° | 0.0° |
| N07 | N06 | C05 | C04 | 179.5° | 180.0° |
| C10 | C11 | C12 | H6 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C11 | C10 | C15 | C05 | 179.0° | 179.7° |
| C11 | C10 | C15 | C14 | 0.0° | 0.3° |
| C10 | C11 | C12 | H7 | 180.0° | 180.0° |
| C12 | C11 | C10 | C15 | 0.2° | 0.0° |
| C11 | C12 | C13 | H7 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.5° | 0.3° |
| C11 | C12 | C13 | H1 | 179.5° | 179.7° |
| C10 | C15 | C05 | N06 | 3.4° | 0.0° |
| C10 | C15 | C05 | C14 | 178.9° | 180.0° |
| C10 | C15 | C05 | C04 | 179.9° | 180.0° |
| C10 | C15 | C14 | C13 | 0.5° | 0.5° |
| C15 | C10 | C11 | H6 | 179.8° | 180.0° |
| C10 | C15 | C14 | H8 | 179.5° | 180.0° |
| N06 | C05 | C15 | C04 | 176.7° | 180.0° |
| N06 | C05 | C15 | C14 | 177.6° | 180.0° |
| N06 | C05 | C04 | C02 | 26.2° | 0.1° |
| N06 | C05 | C04 | H3 | 94.1° | 120.0° |
| N06 | C05 | C04 | H4 | 146.5° | 120.0° |
| C05 | N06 | N07 | H5 | 177.1° | 180.0° |
| C12 | C13 | C14 | C15 | 0.8° | 0.5° |
| C12 | C13 | C14 | H1 | 180.0° | 179.4° |
| C13 | C12 | C11 | H6 | 179.9° | 180.0° |
| C12 | C13 | C14 | H8 | 179.2° | 180.0° |
| C15 | C05 | C04 | C02 | 156.9° | 180.0° |
| C05 | C15 | C14 | C13 | 179.5° | 179.5° |
| C15 | C05 | C04 | H3 | 82.9° | 59.9° |
| C15 | C05 | C04 | H4 | 36.6° | 60.0° |
| C05 | C15 | C14 | H8 | 0.5° | 0.0° |
| C14 | C15 | C05 | C04 | 1.0° | 0.0° |
| C15 | C14 | C13 | H8 | 180.0° | 179.5° |
| C15 | C14 | C13 | H1 | 179.2° | 180.0° |
| C05 | C04 | C02 | H3 | 120.3° | 120.0° |
| C05 | C04 | C02 | H4 | 120.3° | 120.0° |
| C05 | C04 | C02 | O03 | 107.9° | 180.0° |
| C05 | C04 | H3 | H4 | 119.2° | 119.9° |
| C04 | C02 | O03 | H2 | 178.5° | 180.0° |
| C02 | C04 | H3 | H4 | 119.2° | 120.0° |
| O03 | C02 | C04 | H3 | 12.4° | 59.9° |
| O03 | C02 | C04 | H4 | 131.9° | 60.0° |
| C14 | C13 | C12 | H7 | 179.5° | 179.7° |
| H1 | C13 | C12 | H7 | 0.5° | 0.3° |
| H1 | C13 | C14 | H8 | 0.7° | 0.6° |
| H6 | C11 | C12 | H7 | 0.1° | 0.0° |
