OT8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F10 | C07 | sing | 1.40Å | 1.38Å | |
| F08 | C07 | sing | 1.40Å | 1.36Å | |
| C07 | F09 | sing | 1.40Å | 1.33Å | |
| C07 | C06 | sing | 1.51Å | 1.51Å | |
| N01 | C06 | doub | 1.32Å | 1.31Å | Aromatic |
| N01 | C02 | sing | 1.32Å | 1.34Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.37Å | Aromatic |
| C02 | C03 | doub | 1.38Å | 1.37Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.38Å | Aromatic |
| O24 | C21 | sing | 1.36Å | 1.42Å | |
| O24 | C25 | sing | 1.36Å | 1.43Å | |
| C03 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C30 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.37Å | Aromatic |
| C04 | N11 | sing | 1.39Å | 1.46Å | |
| C25 | C26 | sing | 1.39Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C23 | sing | 1.39Å | 1.37Å | Aromatic |
| C18 | N14 | sing | 1.40Å | 1.46Å | |
| C13 | N14 | sing | 1.36Å | 1.37Å | Aromatic |
| C13 | C12 | doub | 1.35Å | 1.45Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| N11 | C17 | sing | 1.47Å | 1.45Å | |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| N14 | N15 | sing | 1.29Å | 1.32Å | Aromatic |
| C17 | C12 | sing | 1.51Å | 1.53Å | |
| C12 | N16 | sing | 1.34Å | 1.32Å | Aromatic |
| N15 | N16 | doub | 1.29Å | 1.35Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F10 | C07 | F08 | 112.2° | 109.5° |
| F10 | C07 | F09 | 109.5° | 109.5° |
| F10 | C07 | C06 | 114.2° | 109.5° |
| F08 | C07 | F09 | 105.1° | 109.4° |
| F08 | C07 | C06 | 107.1° | 109.5° |
| F09 | C07 | C06 | 108.4° | 109.5° |
| C07 | C06 | N01 | 119.9° | 119.6° |
| C07 | C06 | C05 | 119.4° | 119.6° |
| C06 | N01 | C02 | 121.0° | 121.9° |
| N01 | C06 | C05 | 120.6° | 120.8° |
| N01 | C02 | C03 | 121.2° | 120.8° |
| N01 | C02 | H021 | 119.4° | 119.6° |
| C06 | C05 | C04 | 120.4° | 119.1° |
| C06 | C05 | H051 | 119.8° | 120.5° |
| C02 | C03 | C04 | 118.6° | 119.0° |
| C03 | C02 | H021 | 119.4° | 119.5° |
| C02 | C03 | H031 | 120.7° | 120.5° |
| C05 | C04 | C03 | 118.1° | 118.2° |
| C05 | C04 | N11 | 120.7° | 120.9° |
| C04 | C05 | H051 | 119.8° | 120.4° |
| C21 | O24 | C25 | 118.0° | 118.0° |
| O24 | C21 | C20 | 121.0° | 120.0° |
| O24 | C21 | C22 | 122.0° | 120.0° |
| O24 | C25 | C30 | 119.8° | 120.1° |
| O24 | C25 | C26 | 120.2° | 120.1° |
| C03 | C04 | N11 | 121.2° | 120.8° |
| C04 | C03 | H031 | 120.7° | 120.5° |
| C25 | C30 | C29 | 119.9° | 120.0° |
| C30 | C25 | C26 | 119.9° | 119.9° |
| C25 | C30 | H301 | 120.0° | 120.0° |
| C30 | C29 | C28 | 120.2° | 120.1° |
| C30 | C29 | H291 | 119.9° | 120.0° |
| C29 | C30 | H301 | 120.1° | 120.0° |
| C21 | C20 | C19 | 122.3° | 120.0° |
| C20 | C21 | C22 | 117.0° | 120.0° |
| C21 | C20 | H201 | 118.9° | 119.9° |
| C20 | C19 | C18 | 119.3° | 120.0° |
| C19 | C20 | H201 | 118.9° | 120.0° |
| C20 | C19 | H191 | 120.4° | 120.0° |
| C21 | C22 | C23 | 121.4° | 120.1° |
| C21 | C22 | H221 | 119.4° | 119.9° |
| C04 | N11 | C17 | 118.6° | 120.0° |
| C04 | N11 | H111 | 107.1° | 120.0° |
| C25 | C26 | C27 | 120.1° | 119.9° |
| C25 | C26 | H261 | 119.9° | 120.0° |
| C19 | C18 | C23 | 118.6° | 120.0° |
| C19 | C18 | N14 | 124.5° | 120.0° |
| C18 | C19 | H191 | 120.3° | 120.0° |
| C29 | C28 | C27 | 119.5° | 120.1° |
| C29 | C28 | H281 | 120.2° | 120.0° |
| C28 | C29 | H291 | 119.9° | 120.0° |
| C22 | C23 | C18 | 121.4° | 120.0° |
| C23 | C22 | H221 | 119.3° | 120.0° |
| C22 | C23 | H231 | 119.3° | 120.1° |
| C23 | C18 | N14 | 116.9° | 120.0° |
| C18 | C23 | H231 | 119.3° | 120.0° |
| C18 | N14 | C13 | 127.4° | 125.9° |
| C18 | N14 | N15 | 125.6° | 126.0° |
| N14 | C13 | C12 | 106.7° | 106.1° |
| C13 | N14 | N15 | 106.8° | 108.1° |
| N14 | C13 | H131 | 126.6° | 127.0° |
| C13 | C12 | C17 | 127.7° | 126.8° |
| C13 | C12 | N16 | 106.3° | 106.5° |
| C12 | C13 | H131 | 126.7° | 126.9° |
| C26 | C27 | C28 | 120.3° | 120.1° |
| C27 | C26 | H261 | 120.0° | 120.0° |
| C26 | C27 | H271 | 119.8° | 120.0° |
| N11 | C17 | C12 | 110.7° | 109.5° |
| N11 | C17 | H172 | 109.2° | 109.5° |
| N11 | C17 | H171 | 109.2° | 109.4° |
| C17 | N11 | H111 | 107.2° | 120.0° |
| C27 | C28 | H281 | 120.2° | 119.9° |
| C28 | C27 | H271 | 119.8° | 120.0° |
| N14 | N15 | N16 | 111.9° | 110.3° |
| C17 | C12 | N16 | 125.9° | 126.7° |
| C12 | C17 | H172 | 109.2° | 109.5° |
| C12 | C17 | H171 | 109.2° | 109.4° |
| C12 | N16 | N15 | 108.2° | 109.0° |
| H172 | C17 | H171 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F10 | C07 | F08 | F09 | 118.9° | 120.0° |
| F10 | C07 | F08 | C06 | 126.0° | 120.0° |
| F10 | C07 | F09 | C06 | 125.1° | 120.1° |
| F10 | C07 | C06 | N01 | 82.9° | 30.2° |
| F10 | C07 | C06 | C05 | 98.4° | 150.0° |
| F08 | C07 | F09 | C06 | 114.2° | 119.9° |
| F08 | C07 | C06 | N01 | 41.9° | 150.2° |
| F08 | C07 | C06 | C05 | 136.8° | 30.0° |
| F09 | C07 | C06 | N01 | 154.8° | 89.8° |
| F09 | C07 | C06 | C05 | 23.9° | 90.0° |
| C07 | C06 | N01 | C05 | 178.7° | 179.8° |
| C07 | C06 | N01 | C02 | 177.6° | 179.7° |
| C07 | C06 | C05 | C04 | 179.6° | 180.0° |
| C07 | C06 | C05 | H051 | 0.4° | 0.0° |
| C06 | N01 | C02 | C03 | 2.4° | 0.5° |
| N01 | C06 | C05 | C04 | 0.9° | 0.3° |
| C06 | N01 | C02 | H021 | 177.6° | 179.7° |
| N01 | C06 | C05 | H051 | 179.1° | 179.8° |
| C02 | N01 | C06 | C05 | 1.1° | 0.5° |
| N01 | C02 | C03 | H021 | 180.0° | 179.7° |
| N01 | C02 | C03 | C04 | 1.5° | 0.3° |
| N01 | C02 | C03 | H031 | 178.4° | 179.8° |
| C06 | C05 | C04 | H051 | 180.0° | 179.9° |
| C06 | C05 | C04 | C03 | 1.7° | 0.0° |
| C06 | C05 | C04 | N11 | 179.5° | 180.0° |
| C02 | C03 | C04 | C05 | 0.5° | 0.0° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | N11 | 179.3° | 180.0° |
| C05 | C04 | C03 | N11 | 178.8° | 180.0° |
| C05 | C04 | N11 | C17 | 175.8° | 180.0° |
| C05 | C04 | C03 | H031 | 179.6° | 180.0° |
| C05 | C04 | N11 | H111 | 54.5° | 0.0° |
| C21 | O24 | C25 | C30 | 127.2° | 89.9° |
| O24 | C21 | C20 | C22 | 177.1° | 180.0° |
| O24 | C21 | C20 | C19 | 178.4° | 179.9° |
| C21 | O24 | C25 | C26 | 55.8° | 90.0° |
| O24 | C21 | C22 | C23 | 179.2° | 180.0° |
| O24 | C21 | C20 | H201 | 1.6° | 0.3° |
| O24 | C21 | C22 | H221 | 0.7° | 0.1° |
| O24 | C25 | C30 | C26 | 177.0° | 179.9° |
| O24 | C25 | C30 | C29 | 178.9° | 180.0° |
| C25 | O24 | C21 | C20 | 152.0° | 0.5° |
| C25 | O24 | C21 | C22 | 31.1° | 179.5° |
| O24 | C25 | C26 | C27 | 179.1° | 180.0° |
| O24 | C25 | C26 | H261 | 0.9° | 0.4° |
| O24 | C25 | C30 | H301 | 1.1° | 0.0° |
| C03 | C04 | N11 | C17 | 3.0° | 0.0° |
| C04 | C03 | C02 | H021 | 178.5° | 180.0° |
| C03 | C04 | C05 | H051 | 178.3° | 179.9° |
| C03 | C04 | N11 | H111 | 124.3° | 180.0° |
| C25 | C30 | C29 | H301 | 180.0° | 180.0° |
| C25 | C30 | C29 | C28 | 0.3° | 0.3° |
| C30 | C25 | C26 | C27 | 2.1° | 0.1° |
| C30 | C25 | C26 | H261 | 177.9° | 179.7° |
| C25 | C30 | C29 | H291 | 179.7° | 179.8° |
| C29 | C30 | C25 | C26 | 2.0° | 0.1° |
| C30 | C29 | C28 | H291 | 180.0° | 179.4° |
| C30 | C29 | C28 | C27 | 1.2° | 0.6° |
| C30 | C29 | C28 | H281 | 178.8° | 179.9° |
| C21 | C20 | C19 | H201 | 180.0° | 179.7° |
| C21 | C20 | C19 | C18 | 1.0° | 0.1° |
| C20 | C21 | C22 | C23 | 2.2° | 0.1° |
| C20 | C21 | C22 | H221 | 177.8° | 180.0° |
| C21 | C20 | C19 | H191 | 179.0° | 180.0° |
| C19 | C20 | C21 | C22 | 1.3° | 0.0° |
| C20 | C19 | C18 | H191 | 180.0° | 179.9° |
| C20 | C19 | C18 | C23 | 1.5° | 0.0° |
| C20 | C19 | C18 | N14 | 178.6° | 179.9° |
| C21 | C22 | C23 | H221 | 180.0° | 179.9° |
| C21 | C22 | C23 | C18 | 2.8° | 0.1° |
| C22 | C21 | C20 | H201 | 178.7° | 179.7° |
| C21 | C22 | C23 | H231 | 177.2° | 180.0° |
| C04 | N11 | C17 | H111 | 121.3° | 180.0° |
| C04 | N11 | C17 | C12 | 102.5° | 180.0° |
| C04 | N11 | C17 | H172 | 17.7° | 59.9° |
| C04 | N11 | C17 | H171 | 137.3° | 60.1° |
| N11 | C04 | C03 | H031 | 0.7° | 0.0° |
| N11 | C04 | C05 | H051 | 0.5° | 0.0° |
| C25 | C26 | C27 | H261 | 180.0° | 179.6° |
| C25 | C26 | C27 | C28 | 0.6° | 0.4° |
| C25 | C26 | C27 | H271 | 179.4° | 179.7° |
| C26 | C25 | C30 | H301 | 178.1° | 179.9° |
| C19 | C18 | C23 | C22 | 2.4° | 0.1° |
| C19 | C18 | C23 | N14 | 180.0° | 180.0° |
| C19 | C18 | N14 | C13 | 32.2° | 0.0° |
| C19 | C18 | N14 | N15 | 153.5° | 180.0° |
| C18 | C19 | C20 | H201 | 179.0° | 179.7° |
| C19 | C18 | C23 | H231 | 177.6° | 180.0° |
| C29 | C28 | C27 | C26 | 1.1° | 0.6° |
| C29 | C28 | C27 | H281 | 180.0° | 179.4° |
| C29 | C28 | C27 | H271 | 178.9° | 179.5° |
| C28 | C29 | C30 | H301 | 179.7° | 179.7° |
| C22 | C23 | C18 | H231 | 180.0° | 179.9° |
| C22 | C23 | C18 | N14 | 177.6° | 180.0° |
| C23 | C18 | N14 | C13 | 147.8° | 180.0° |
| C23 | C18 | N14 | N15 | 26.5° | 0.1° |
| C18 | C23 | C22 | H221 | 177.2° | 180.0° |
| C23 | C18 | C19 | H191 | 178.5° | 179.9° |
| C18 | N14 | C13 | N15 | 175.2° | 180.0° |
| C18 | N14 | C13 | C12 | 178.2° | 180.0° |
| C18 | N14 | N15 | N16 | 177.6° | 180.0° |
| C18 | N14 | C13 | H131 | 1.8° | 0.3° |
| N14 | C18 | C19 | H191 | 1.5° | 0.0° |
| N14 | C18 | C23 | H231 | 2.4° | 0.1° |
| N14 | C13 | C12 | H131 | 180.0° | 179.7° |
| N14 | C13 | C12 | C17 | 179.0° | 180.0° |
| N14 | C13 | C12 | N16 | 2.8° | 0.0° |
| C13 | N14 | N15 | N16 | 2.3° | 0.0° |
| C13 | C12 | C17 | N11 | 74.8° | 95.0° |
| C12 | C13 | N14 | N15 | 3.1° | 0.0° |
| C13 | C12 | C17 | N16 | 177.8° | 180.0° |
| C13 | C12 | N16 | N15 | 1.4° | 0.0° |
| C13 | C12 | C17 | H172 | 45.4° | 145.0° |
| C13 | C12 | C17 | H171 | 165.1° | 25.0° |
| C26 | C27 | C28 | H271 | 180.0° | 179.9° |
| C26 | C27 | C28 | H281 | 178.9° | 180.0° |
| N11 | C17 | C12 | H172 | 120.2° | 120.0° |
| N11 | C17 | C12 | H171 | 120.2° | 119.9° |
| N11 | C17 | C12 | N16 | 103.1° | 85.0° |
| N11 | C17 | H172 | H171 | 119.4° | 119.9° |
| C28 | C27 | C26 | H261 | 179.4° | 180.0° |
| C27 | C28 | C29 | H291 | 178.8° | 180.0° |
| N14 | N15 | N16 | C12 | 0.5° | 0.0° |
| N15 | N14 | C13 | H131 | 176.9° | 179.7° |
| C17 | C12 | N16 | N15 | 179.6° | 180.0° |
| C17 | C12 | C13 | H131 | 1.0° | 0.3° |
| C12 | C17 | H172 | H171 | 119.4° | 120.0° |
| C12 | C17 | N11 | H111 | 136.2° | 0.0° |
| N16 | C12 | C13 | H131 | 177.2° | 179.7° |
| N16 | C12 | C17 | H172 | 136.7° | 35.0° |
| N16 | C12 | C17 | H171 | 17.1° | 155.1° |
| H172 | C17 | N11 | H111 | 103.6° | 120.1° |
| H171 | C17 | N11 | H111 | 16.0° | 120.0° |
| H201 | C20 | C19 | H191 | 1.0° | 0.4° |
| H221 | C22 | C23 | H231 | 2.8° | 0.1° |
| H261 | C26 | C27 | H271 | 0.6° | 0.1° |
| H281 | C28 | C27 | H271 | 1.1° | 0.1° |
| H281 | C28 | C29 | H291 | 1.2° | 0.6° |
| H021 | C02 | C03 | H031 | 1.6° | 0.0° |
| H291 | C29 | C30 | H301 | 0.3° | 0.2° |
