R9F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N11 | C10 | sing | 1.38Å | 1.43Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | C02 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N09 | doub | 1.33Å | 1.33Å | Aromatic |
| C10 | C12 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.47Å | 1.46Å | Aromatic |
| C13 | C04 | doub | 1.40Å | 1.38Å | Aromatic |
| C02 | F01 | sing | 1.35Å | 1.35Å | |
| C02 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| N09 | C08 | sing | 1.32Å | 1.33Å | Aromatic |
| C12 | C06 | doub | 1.40Å | 1.37Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.40Å | Aromatic |
| C04 | N05 | sing | 1.38Å | 1.35Å | Aromatic |
| C08 | N07 | doub | 1.32Å | 1.31Å | Aromatic |
| C06 | N05 | sing | 1.37Å | 1.34Å | Aromatic |
| C06 | N07 | sing | 1.33Å | 1.35Å | Aromatic |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å | |
| N11 | H112 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N11 | C10 | N09 | 118.2° | 120.8° |
| N11 | C10 | C12 | 122.1° | 120.7° |
| C10 | N11 | H111 | 109.5° | 120.0° |
| C10 | N11 | H112 | 109.5° | 120.0° |
| C15 | C14 | C13 | 119.1° | 119.9° |
| C14 | C15 | C02 | 120.3° | 120.2° |
| C14 | C15 | H151 | 119.9° | 119.9° |
| C15 | C14 | H141 | 120.5° | 120.0° |
| C14 | C13 | C12 | 134.6° | 133.7° |
| C14 | C13 | C04 | 119.9° | 120.0° |
| C13 | C14 | H141 | 120.4° | 120.1° |
| C15 | C02 | F01 | 120.8° | 119.7° |
| C15 | C02 | C03 | 120.7° | 120.5° |
| C02 | C15 | H151 | 119.9° | 119.9° |
| N09 | C10 | C12 | 119.7° | 118.5° |
| C10 | N09 | C08 | 121.0° | 120.9° |
| C10 | C12 | C13 | 137.3° | 134.7° |
| C10 | C12 | C06 | 116.6° | 118.7° |
| C12 | C13 | C04 | 105.5° | 106.3° |
| C13 | C12 | C06 | 106.0° | 106.6° |
| C13 | C04 | C03 | 120.7° | 119.4° |
| C13 | C04 | N05 | 109.2° | 108.3° |
| F01 | C02 | C03 | 118.5° | 119.8° |
| C02 | C03 | C04 | 119.3° | 120.0° |
| C02 | C03 | H031 | 120.3° | 120.0° |
| N09 | C08 | N07 | 121.6° | 122.6° |
| N09 | C08 | H081 | 119.2° | 118.7° |
| C12 | C06 | N05 | 109.4° | 108.4° |
| C12 | C06 | N07 | 120.7° | 118.4° |
| C03 | C04 | N05 | 130.1° | 132.3° |
| C04 | C03 | H031 | 120.3° | 120.0° |
| C04 | N05 | C06 | 109.8° | 110.4° |
| C04 | N05 | H051 | 125.1° | 124.8° |
| C08 | N07 | C06 | 120.4° | 120.8° |
| N07 | C08 | H081 | 119.2° | 118.7° |
| N05 | C06 | N07 | 129.9° | 133.2° |
| C06 | N05 | H051 | 125.1° | 124.8° |
| H111 | N11 | H112 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C10 | N09 | C12 | 179.8° | 180.0° |
| N11 | C10 | C12 | C13 | 0.3° | 0.1° |
| N11 | C10 | N09 | C08 | 179.7° | 179.9° |
| N11 | C10 | C12 | C06 | 179.8° | 180.0° |
| C10 | N11 | H111 | H112 | 120.0° | 179.9° |
| C15 | C14 | C13 | H141 | 180.0° | 180.0° |
| C14 | C15 | C02 | H151 | 180.0° | 179.8° |
| C15 | C14 | C13 | C12 | 179.6° | 180.0° |
| C15 | C14 | C13 | C04 | 1.1° | 0.0° |
| C14 | C15 | C02 | F01 | 179.0° | 179.8° |
| C14 | C15 | C02 | C03 | 0.7° | 0.2° |
| C13 | C14 | C15 | C02 | 1.2° | 0.0° |
| C14 | C13 | C12 | C10 | 1.3° | 0.1° |
| C14 | C13 | C12 | C04 | 178.7° | 180.0° |
| C14 | C13 | C12 | C06 | 179.3° | 180.0° |
| C14 | C13 | C04 | C03 | 0.5° | 0.2° |
| C14 | C13 | C04 | N05 | 179.8° | 180.0° |
| C13 | C14 | C15 | H151 | 178.8° | 179.7° |
| C15 | C02 | F01 | C03 | 179.7° | 180.0° |
| C15 | C02 | C03 | C04 | 0.1° | 0.5° |
| C02 | C15 | C14 | H141 | 178.8° | 180.0° |
| C15 | C02 | C03 | H031 | 179.9° | 180.0° |
| N09 | C10 | C12 | C13 | 179.4° | 179.9° |
| N09 | C10 | C12 | C06 | 0.0° | 0.0° |
| C10 | N09 | C08 | N07 | 0.4° | 0.1° |
| C10 | N09 | C08 | H081 | 179.6° | 180.0° |
| N09 | C10 | N11 | H111 | 0.0° | 0.1° |
| N09 | C10 | N11 | H112 | 120.0° | 180.0° |
| C10 | C12 | C13 | C06 | 179.4° | 179.9° |
| C10 | C12 | C13 | C04 | 180.0° | 179.9° |
| C12 | C10 | N09 | C08 | 0.1° | 0.0° |
| C10 | C12 | C06 | N05 | 179.7° | 180.0° |
| C10 | C12 | C06 | N07 | 0.3° | 0.0° |
| C12 | C10 | N11 | H111 | 179.8° | 180.0° |
| C12 | C10 | N11 | H112 | 60.2° | 0.0° |
| C12 | C13 | C04 | C03 | 179.4° | 179.8° |
| C12 | C13 | C04 | N05 | 0.9° | 0.0° |
| C13 | C12 | C06 | N05 | 0.1° | 0.0° |
| C13 | C12 | C06 | N07 | 179.8° | 180.0° |
| C12 | C13 | C14 | H141 | 0.4° | 0.0° |
| C13 | C04 | C03 | C02 | 0.0° | 0.5° |
| C04 | C13 | C12 | C06 | 0.6° | 0.0° |
| C13 | C04 | C03 | N05 | 179.7° | 179.7° |
| C13 | C04 | N05 | C06 | 0.9° | 0.0° |
| C04 | C13 | C14 | H141 | 178.9° | 180.0° |
| C13 | C04 | C03 | H031 | 180.0° | 180.0° |
| C13 | C04 | N05 | H051 | 179.2° | 180.0° |
| F01 | C02 | C03 | C04 | 179.6° | 179.5° |
| F01 | C02 | C15 | H151 | 1.1° | 0.0° |
| F01 | C02 | C03 | H031 | 0.4° | 0.0° |
| C02 | C03 | C04 | H031 | 180.0° | 179.5° |
| C02 | C03 | C04 | N05 | 179.7° | 179.8° |
| C03 | C02 | C15 | H151 | 179.2° | 180.0° |
| N09 | C08 | N07 | H081 | 180.0° | 179.9° |
| N09 | C08 | N07 | C06 | 0.7° | 0.1° |
| C12 | C06 | N05 | C04 | 0.5° | 0.0° |
| C12 | C06 | N07 | C08 | 0.6° | 0.0° |
| C12 | C06 | N05 | N07 | 179.9° | 180.0° |
| C12 | C06 | N05 | H051 | 179.6° | 180.0° |
| C03 | C04 | N05 | C06 | 179.4° | 179.7° |
| C03 | C04 | N05 | H051 | 0.5° | 0.3° |
| C04 | N05 | C06 | H051 | 180.0° | 180.0° |
| C04 | N05 | C06 | N07 | 179.6° | 180.0° |
| N05 | C04 | C03 | H031 | 0.4° | 0.3° |
| C08 | N07 | C06 | N05 | 179.3° | 180.0° |
| C06 | N07 | C08 | H081 | 179.3° | 180.0° |
| N07 | C06 | N05 | H051 | 0.4° | 0.0° |
| H151 | C15 | C14 | H141 | 1.2° | 0.2° |
