9E3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F18 | C15 | sing | 1.35Å | 1.36Å | |
| C15 | C14 | doub | 1.35Å | 1.39Å | Aromatic |
| C15 | N16 | sing | 1.34Å | 1.32Å | Aromatic |
| C14 | N13 | sing | 1.37Å | 1.32Å | Aromatic |
| N16 | C17 | doub | 1.31Å | 1.32Å | Aromatic |
| N13 | C17 | sing | 1.35Å | 1.32Å | Aromatic |
| N13 | C12 | sing | 1.47Å | 1.45Å | |
| C10 | C09 | doub | 1.37Å | 1.39Å | Aromatic |
| C10 | C05 | sing | 1.41Å | 1.43Å | Aromatic |
| C12 | C06 | sing | 1.51Å | 1.53Å | |
| C09 | C08 | sing | 1.39Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.40Å | 1.44Å | Aromatic |
| C05 | C04 | sing | 1.42Å | 1.37Å | Aromatic |
| C08 | N07 | doub | 1.31Å | 1.32Å | Aromatic |
| C06 | C01 | sing | 1.36Å | 1.39Å | Aromatic |
| C04 | N07 | sing | 1.34Å | 1.36Å | Aromatic |
| C04 | C03 | doub | 1.41Å | 1.43Å | Aromatic |
| C01 | C02 | doub | 1.39Å | 1.40Å | Aromatic |
| C03 | C02 | sing | 1.37Å | 1.39Å | Aromatic |
| C03 | O11 | sing | 1.36Å | 1.40Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| O11 | H111 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F18 | C15 | C14 | 126.8° | 126.0° |
| F18 | C15 | N16 | 126.0° | 126.0° |
| C14 | C15 | N16 | 107.2° | 108.0° |
| C15 | C14 | N13 | 106.1° | 106.7° |
| C15 | C14 | H141 | 126.9° | 126.6° |
| C15 | N16 | C17 | 108.6° | 109.3° |
| C14 | N13 | C17 | 109.4° | 107.2° |
| C14 | N13 | C12 | 125.4° | 126.4° |
| N13 | C14 | H141 | 127.0° | 126.7° |
| N16 | C17 | N13 | 108.7° | 108.8° |
| N16 | C17 | H171 | 125.7° | 125.6° |
| C17 | N13 | C12 | 125.1° | 126.4° |
| N13 | C17 | H171 | 125.7° | 125.6° |
| N13 | C12 | C06 | 107.5° | 109.5° |
| N13 | C12 | H121 | 110.0° | 109.5° |
| N13 | C12 | H122 | 110.0° | 109.5° |
| C09 | C10 | C05 | 118.9° | 118.2° |
| C10 | C09 | C08 | 118.8° | 119.9° |
| C09 | C10 | H101 | 120.6° | 120.9° |
| C10 | C09 | H091 | 120.6° | 120.1° |
| C10 | C05 | C06 | 122.7° | 121.4° |
| C10 | C05 | C04 | 118.0° | 119.0° |
| C05 | C10 | H101 | 120.5° | 120.9° |
| C12 | C06 | C05 | 121.2° | 120.1° |
| C12 | C06 | C01 | 119.0° | 120.2° |
| C06 | C12 | H121 | 109.9° | 109.4° |
| C06 | C12 | H122 | 109.9° | 109.5° |
| C09 | C08 | N07 | 121.3° | 121.7° |
| C09 | C08 | H081 | 119.3° | 119.2° |
| C08 | C09 | H091 | 120.6° | 120.0° |
| C06 | C05 | C04 | 119.4° | 119.6° |
| C05 | C06 | C01 | 119.8° | 119.7° |
| C05 | C04 | N07 | 121.7° | 119.8° |
| C05 | C04 | C03 | 120.3° | 119.1° |
| C08 | N07 | C04 | 121.2° | 121.3° |
| N07 | C08 | H081 | 119.3° | 119.1° |
| C06 | C01 | C02 | 120.6° | 120.9° |
| C06 | C01 | H011 | 119.7° | 119.5° |
| N07 | C04 | C03 | 117.9° | 121.1° |
| C04 | C03 | C02 | 120.0° | 119.6° |
| C04 | C03 | O11 | 120.2° | 120.2° |
| C01 | C02 | C03 | 119.9° | 121.0° |
| C02 | C01 | H011 | 119.7° | 119.6° |
| C01 | C02 | H021 | 120.1° | 119.5° |
| C02 | C03 | O11 | 119.8° | 120.2° |
| C03 | C02 | H021 | 120.1° | 119.5° |
| C03 | O11 | H111 | 109.5° | 114.0° |
| H121 | C12 | H122 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F18 | C15 | C14 | N16 | 179.8° | 179.7° |
| F18 | C15 | C14 | N13 | 179.3° | 179.7° |
| F18 | C15 | N16 | C17 | 179.3° | 179.7° |
| F18 | C15 | C14 | H141 | 0.7° | 0.2° |
| C15 | C14 | N13 | H141 | 180.0° | 179.9° |
| C14 | C15 | N16 | C17 | 0.5° | 0.0° |
| C15 | C14 | N13 | C17 | 0.4° | 0.0° |
| C15 | C14 | N13 | C12 | 179.0° | 180.0° |
| N16 | C15 | C14 | N13 | 0.6° | 0.0° |
| C15 | N16 | C17 | N13 | 0.3° | 0.0° |
| C15 | N16 | C17 | H171 | 179.8° | 180.0° |
| N16 | C15 | C14 | H141 | 179.5° | 180.0° |
| C14 | N13 | C17 | N16 | 0.1° | 0.0° |
| C14 | N13 | C17 | C12 | 178.6° | 180.0° |
| C14 | N13 | C12 | C06 | 121.6° | 89.9° |
| C14 | N13 | C17 | H171 | 179.9° | 180.0° |
| C14 | N13 | C12 | H121 | 118.7° | 30.1° |
| C14 | N13 | C12 | H122 | 2.0° | 150.0° |
| N16 | C17 | N13 | H171 | 180.0° | 180.0° |
| N16 | C17 | N13 | C12 | 178.7° | 180.0° |
| C17 | N13 | C12 | C06 | 56.8° | 90.0° |
| C17 | N13 | C12 | H121 | 62.9° | 150.0° |
| C17 | N13 | C12 | H122 | 176.5° | 30.1° |
| C17 | N13 | C14 | H141 | 179.6° | 180.0° |
| N13 | C12 | C06 | H121 | 119.7° | 120.0° |
| N13 | C12 | C06 | H122 | 119.7° | 120.1° |
| N13 | C12 | C06 | C05 | 96.2° | 85.0° |
| N13 | C12 | C06 | C01 | 83.0° | 94.9° |
| C12 | N13 | C17 | H171 | 1.2° | 0.0° |
| N13 | C12 | H121 | H122 | 120.9° | 120.0° |
| C12 | N13 | C14 | H141 | 1.0° | 0.1° |
| C09 | C10 | C05 | H101 | 180.0° | 179.8° |
| C10 | C09 | C08 | H091 | 180.0° | 179.9° |
| C09 | C10 | C05 | C06 | 179.7° | 179.9° |
| C09 | C10 | C05 | C04 | 0.2° | 0.1° |
| C10 | C09 | C08 | N07 | 0.2° | 0.1° |
| C10 | C09 | C08 | H081 | 179.8° | 180.0° |
| C10 | C05 | C06 | C12 | 0.3° | 0.0° |
| C05 | C10 | C09 | C08 | 0.2° | 0.1° |
| C10 | C05 | C06 | C04 | 179.9° | 180.0° |
| C10 | C05 | C06 | C01 | 179.5° | 180.0° |
| C10 | C05 | C04 | N07 | 0.0° | 0.0° |
| C10 | C05 | C04 | C03 | 179.7° | 180.0° |
| C05 | C10 | C09 | H091 | 179.7° | 180.0° |
| C12 | C06 | C05 | C01 | 179.2° | 180.0° |
| C12 | C06 | C05 | C04 | 179.8° | 180.0° |
| C12 | C06 | C01 | C02 | 179.9° | 180.0° |
| C12 | C06 | C01 | H011 | 0.1° | 0.0° |
| C06 | C12 | H121 | H122 | 120.9° | 120.0° |
| C09 | C08 | N07 | H081 | 180.0° | 180.0° |
| C09 | C08 | N07 | C04 | 0.0° | 0.0° |
| C08 | C09 | C10 | H101 | 179.8° | 179.7° |
| C06 | C05 | C04 | N07 | 179.9° | 180.0° |
| C06 | C05 | C04 | C03 | 0.4° | 0.0° |
| C05 | C06 | C01 | C02 | 0.7° | 0.0° |
| C06 | C05 | C10 | H101 | 0.3° | 0.2° |
| C05 | C06 | C01 | H011 | 179.3° | 180.0° |
| C05 | C06 | C12 | H121 | 144.1° | 155.0° |
| C05 | C06 | C12 | H122 | 23.5° | 35.1° |
| C05 | C04 | N07 | C08 | 0.1° | 0.0° |
| C04 | C05 | C06 | C01 | 0.7° | 0.0° |
| C05 | C04 | N07 | C03 | 179.7° | 180.0° |
| C05 | C04 | C03 | C02 | 0.1° | 0.0° |
| C05 | C04 | C03 | O11 | 179.9° | 180.0° |
| C04 | C05 | C10 | H101 | 179.8° | 179.8° |
| C08 | N07 | C04 | C03 | 179.8° | 180.0° |
| N07 | C08 | C09 | H091 | 179.8° | 180.0° |
| C06 | C01 | C02 | H011 | 180.0° | 180.0° |
| C06 | C01 | C02 | C03 | 0.4° | 0.0° |
| C06 | C01 | C02 | H021 | 179.6° | 180.0° |
| C01 | C06 | C12 | H121 | 36.7° | 25.0° |
| C01 | C06 | C12 | H122 | 157.3° | 145.0° |
| N07 | C04 | C03 | C02 | 179.9° | 180.0° |
| N07 | C04 | C03 | O11 | 0.1° | 0.0° |
| C04 | N07 | C08 | H081 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 0.1° | 0.0° |
| C04 | C03 | C02 | O11 | 180.0° | 180.0° |
| C04 | C03 | C02 | H021 | 179.9° | 180.0° |
| C04 | C03 | O11 | H111 | 180.0° | 90.0° |
| C01 | C02 | C03 | H021 | 180.0° | 180.0° |
| C01 | C02 | C03 | O11 | 179.8° | 180.0° |
| C03 | C02 | C01 | H011 | 179.6° | 180.0° |
| C02 | C03 | O11 | H111 | 0.0° | 90.0° |
| O11 | C03 | C02 | H021 | 0.2° | 0.0° |
| H101 | C10 | C09 | H091 | 0.3° | 0.2° |
| H011 | C01 | C02 | H021 | 0.4° | 0.0° |
| H081 | C08 | C09 | H091 | 0.2° | 0.1° |
