Q4P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O24 | C25 | sing | 1.35Å | 1.38Å | Aromatic |
| O24 | C21 | sing | 1.35Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.34Å | 1.38Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.41Å | 1.43Å | Aromatic |
| C22 | C23 | sing | 1.37Å | 1.41Å | Aromatic |
| C26 | C20 | sing | 1.47Å | 1.48Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.43Å | Aromatic |
| C23 | C18 | doub | 1.40Å | 1.43Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.43Å | Aromatic |
| C19 | C03 | sing | 1.51Å | 1.52Å | |
| C18 | N05 | sing | 1.40Å | 1.46Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C02 | CL1 | sing | 1.80Å | 1.83Å | |
| O17 | C06 | doub | 1.22Å | 1.23Å | |
| C03 | C04 | sing | 1.54Å | 1.58Å | |
| N05 | C06 | sing | 1.35Å | 1.46Å | |
| N05 | C04 | sing | 1.47Å | 1.53Å | |
| C06 | C07 | sing | 1.47Å | 1.52Å | |
| C07 | N16 | sing | 1.38Å | 1.41Å | Aromatic |
| C07 | C08 | doub | 1.36Å | 1.41Å | Aromatic |
| N16 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C08 | C09 | sing | 1.42Å | 1.47Å | Aromatic |
| C10 | C09 | doub | 1.41Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.43Å | Aromatic |
| C09 | C15 | sing | 1.40Å | 1.43Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C13 | doub | 1.37Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | F14 | sing | 1.35Å | 1.41Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | O24 | C21 | 107.7° | 110.9° |
| O24 | C25 | C26 | 109.9° | 110.1° |
| O24 | C25 | H251 | 125.1° | 124.9° |
| O24 | C21 | C22 | 128.2° | 133.6° |
| O24 | C21 | C20 | 110.9° | 107.3° |
| C25 | C26 | C20 | 108.1° | 106.2° |
| C25 | C26 | H261 | 125.9° | 126.9° |
| C26 | C25 | H251 | 125.0° | 124.9° |
| C22 | C21 | C20 | 121.0° | 119.2° |
| C21 | C22 | C23 | 117.7° | 120.2° |
| C21 | C22 | H221 | 121.1° | 119.9° |
| C21 | C20 | C26 | 103.4° | 105.5° |
| C21 | C20 | C19 | 119.8° | 120.2° |
| C22 | C23 | C18 | 124.2° | 121.0° |
| C23 | C22 | H221 | 121.2° | 119.9° |
| C22 | C23 | H231 | 117.9° | 119.5° |
| C26 | C20 | C19 | 136.8° | 134.3° |
| C20 | C26 | H261 | 125.9° | 126.9° |
| C20 | C19 | C18 | 120.8° | 120.1° |
| C20 | C19 | C03 | 131.4° | 131.2° |
| C23 | C18 | C19 | 116.5° | 119.3° |
| C23 | C18 | N05 | 129.5° | 129.1° |
| C18 | C23 | H231 | 117.9° | 119.5° |
| C18 | C19 | C03 | 107.8° | 108.7° |
| C19 | C18 | N05 | 113.7° | 111.6° |
| C19 | C03 | C02 | 116.4° | 110.5° |
| C19 | C03 | C04 | 105.8° | 104.6° |
| C19 | C03 | H031 | 108.3° | 110.4° |
| C18 | N05 | C06 | 130.5° | 125.0° |
| C18 | N05 | C04 | 106.4° | 110.1° |
| C03 | C02 | CL1 | 108.8° | 109.5° |
| C02 | C03 | C04 | 110.1° | 110.4° |
| C03 | C02 | H021 | 109.6° | 109.4° |
| C03 | C02 | H022 | 109.6° | 109.4° |
| C02 | C03 | H031 | 108.3° | 110.4° |
| CL1 | C02 | H021 | 109.6° | 109.5° |
| CL1 | C02 | H022 | 109.6° | 109.4° |
| O17 | C06 | N05 | 117.4° | 120.0° |
| O17 | C06 | C07 | 116.8° | 120.0° |
| C03 | C04 | N05 | 105.9° | 105.1° |
| C04 | C03 | H031 | 107.6° | 110.5° |
| C03 | C04 | H042 | 110.4° | 110.3° |
| C03 | C04 | H041 | 110.4° | 110.3° |
| C06 | N05 | C04 | 123.0° | 125.0° |
| N05 | C06 | C07 | 125.7° | 120.0° |
| N05 | C04 | H042 | 110.4° | 110.3° |
| N05 | C04 | H041 | 110.4° | 110.4° |
| C06 | C07 | N16 | 121.0° | 125.4° |
| C06 | C07 | C08 | 133.5° | 125.4° |
| N16 | C07 | C08 | 105.4° | 109.1° |
| C07 | N16 | C10 | 111.6° | 108.8° |
| C07 | N16 | H161 | 124.2° | 125.7° |
| C07 | C08 | C09 | 109.5° | 107.7° |
| C07 | C08 | H081 | 125.2° | 126.1° |
| N16 | C10 | C09 | 107.5° | 107.4° |
| N16 | C10 | C11 | 130.2° | 133.1° |
| C10 | N16 | H161 | 124.2° | 125.6° |
| C08 | C09 | C10 | 106.0° | 107.0° |
| C08 | C09 | C15 | 136.5° | 133.3° |
| C09 | C08 | H081 | 125.2° | 126.2° |
| C09 | C10 | C11 | 122.4° | 119.5° |
| C10 | C09 | C15 | 117.6° | 119.6° |
| C10 | C11 | C12 | 119.5° | 119.8° |
| C10 | C11 | H111 | 120.3° | 120.1° |
| C09 | C15 | C13 | 117.6° | 119.8° |
| C09 | C15 | H151 | 121.2° | 120.1° |
| C11 | C12 | C13 | 116.4° | 120.6° |
| C12 | C11 | H111 | 120.2° | 120.1° |
| C11 | C12 | H121 | 121.8° | 119.7° |
| C15 | C13 | C12 | 126.6° | 120.6° |
| C15 | C13 | F14 | 118.1° | 119.8° |
| C13 | C15 | H151 | 121.2° | 120.1° |
| C12 | C13 | F14 | 115.2° | 119.7° |
| C13 | C12 | H121 | 121.8° | 119.7° |
| H021 | C02 | H022 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | C25 | C26 | H251 | 180.0° | 179.8° |
| C25 | O24 | C21 | C22 | 179.8° | 179.9° |
| C25 | O24 | C21 | C20 | 0.1° | 0.0° |
| O24 | C25 | C26 | C20 | 0.2° | 0.2° |
| O24 | C25 | C26 | H261 | 179.8° | 179.7° |
| C21 | O24 | C25 | C26 | 0.2° | 0.1° |
| O24 | C21 | C22 | C20 | 179.9° | 180.0° |
| O24 | C21 | C22 | C23 | 180.0° | 179.9° |
| O24 | C21 | C20 | C26 | 0.0° | 0.2° |
| O24 | C21 | C20 | C19 | 179.8° | 179.9° |
| O24 | C21 | C22 | H221 | 0.0° | 0.0° |
| C21 | O24 | C25 | H251 | 179.8° | 179.9° |
| C25 | C26 | C20 | C21 | 0.2° | 0.3° |
| C25 | C26 | C20 | H261 | 180.0° | 180.0° |
| C25 | C26 | C20 | C19 | 179.7° | 179.9° |
| C21 | C22 | C23 | H221 | 180.0° | 179.9° |
| C22 | C21 | C20 | C26 | 180.0° | 179.8° |
| C22 | C21 | C20 | C19 | 0.1° | 0.1° |
| C21 | C22 | C23 | C18 | 1.3° | 0.0° |
| C21 | C22 | C23 | H231 | 178.7° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C21 | C20 | C26 | C19 | 179.8° | 179.7° |
| C21 | C20 | C19 | C18 | 1.6° | 0.0° |
| C21 | C20 | C19 | C03 | 179.3° | 180.0° |
| C20 | C21 | C22 | H221 | 179.9° | 180.0° |
| C21 | C20 | C26 | H261 | 179.9° | 179.7° |
| C22 | C23 | C18 | H231 | 180.0° | 179.9° |
| C22 | C23 | C18 | C19 | 2.7° | 0.0° |
| C22 | C23 | C18 | N05 | 176.9° | 180.0° |
| C26 | C20 | C19 | C18 | 178.6° | 179.7° |
| C26 | C20 | C19 | C03 | 0.9° | 0.4° |
| C20 | C26 | C25 | H251 | 179.8° | 180.0° |
| C20 | C19 | C18 | C23 | 2.7° | 0.0° |
| C20 | C19 | C18 | C03 | 178.2° | 179.9° |
| C20 | C19 | C18 | N05 | 177.9° | 180.0° |
| C20 | C19 | C03 | C02 | 61.5° | 61.2° |
| C20 | C19 | C03 | C04 | 175.9° | 180.0° |
| C19 | C20 | C26 | H261 | 0.3° | 0.0° |
| C20 | C19 | C03 | H031 | 60.7° | 61.2° |
| C23 | C18 | C19 | N05 | 175.2° | 180.0° |
| C23 | C18 | C19 | C03 | 179.0° | 179.9° |
| C23 | C18 | N05 | C06 | 1.7° | 0.1° |
| C23 | C18 | N05 | C04 | 174.1° | 180.0° |
| C18 | C23 | C22 | H221 | 178.7° | 179.9° |
| C18 | C19 | C03 | C02 | 116.4° | 118.7° |
| C18 | C19 | C03 | C04 | 6.2° | 0.1° |
| C19 | C18 | N05 | C06 | 176.1° | 179.9° |
| C19 | C18 | N05 | C04 | 0.2° | 0.0° |
| C18 | C19 | C03 | H031 | 121.4° | 118.9° |
| C19 | C18 | C23 | H231 | 177.3° | 180.0° |
| C03 | C19 | C18 | N05 | 3.9° | 0.0° |
| C19 | C03 | C02 | C04 | 120.4° | 115.2° |
| C19 | C03 | C02 | H031 | 122.3° | 122.4° |
| C19 | C03 | C02 | CL1 | 158.0° | 176.6° |
| C19 | C03 | C04 | H031 | 115.7° | 118.8° |
| C19 | C03 | C04 | N05 | 6.2° | 0.0° |
| C19 | C03 | C02 | H021 | 82.1° | 56.6° |
| C19 | C03 | C02 | H022 | 38.1° | 63.4° |
| C19 | C03 | C04 | H042 | 125.7° | 118.9° |
| C19 | C03 | C04 | H041 | 113.2° | 119.0° |
| C18 | N05 | C06 | O17 | 2.7° | 5.0° |
| C18 | N05 | C04 | C03 | 4.1° | 0.0° |
| C18 | N05 | C06 | C04 | 175.2° | 179.9° |
| C18 | N05 | C06 | C07 | 175.1° | 175.1° |
| C18 | N05 | C04 | H042 | 123.5° | 118.9° |
| C18 | N05 | C04 | H041 | 115.4° | 118.9° |
| N05 | C18 | C23 | H231 | 3.1° | 0.1° |
| C03 | C02 | CL1 | H021 | 119.9° | 120.0° |
| C03 | C02 | CL1 | H022 | 119.9° | 119.9° |
| C02 | C03 | C04 | H031 | 117.8° | 122.4° |
| C02 | C03 | C04 | N05 | 120.3° | 118.8° |
| C03 | C02 | H021 | H022 | 120.3° | 119.9° |
| C02 | C03 | C04 | H042 | 0.9° | 0.1° |
| C02 | C03 | C04 | H041 | 120.2° | 122.2° |
| CL1 | C02 | C03 | C04 | 81.6° | 61.5° |
| CL1 | C02 | H021 | H022 | 120.3° | 120.0° |
| CL1 | C02 | C03 | H031 | 35.8° | 61.0° |
| O17 | C06 | N05 | C07 | 177.8° | 179.9° |
| O17 | C06 | N05 | C04 | 177.9° | 175.1° |
| O17 | C06 | C07 | N16 | 3.8° | 174.2° |
| O17 | C06 | C07 | C08 | 178.6° | 5.5° |
| C03 | C04 | N05 | C06 | 179.7° | 180.0° |
| C03 | C04 | N05 | H042 | 119.5° | 118.8° |
| C03 | C04 | N05 | H041 | 119.4° | 119.0° |
| C04 | C03 | C02 | H021 | 38.3° | 58.6° |
| C04 | C03 | C02 | H022 | 158.5° | 178.6° |
| C03 | C04 | H042 | H041 | 121.7° | 122.1° |
| N05 | C06 | C07 | N16 | 174.0° | 5.7° |
| N05 | C06 | C07 | C08 | 0.8° | 174.6° |
| C06 | N05 | C04 | H042 | 60.3° | 61.2° |
| C06 | N05 | C04 | H041 | 60.8° | 61.0° |
| C04 | N05 | C06 | C07 | 0.1° | 4.8° |
| N05 | C04 | C03 | H031 | 121.9° | 118.8° |
| N05 | C04 | H042 | H041 | 121.6° | 122.3° |
| C06 | C07 | N16 | C08 | 176.1° | 179.7° |
| C06 | C07 | N16 | C10 | 177.9° | 180.0° |
| C06 | C07 | C08 | C09 | 177.1° | 179.8° |
| C06 | C07 | C08 | H081 | 2.9° | 0.1° |
| C06 | C07 | N16 | H161 | 2.1° | 0.3° |
| C07 | N16 | C10 | H161 | 180.0° | 179.7° |
| N16 | C07 | C08 | C09 | 1.7° | 0.4° |
| C07 | N16 | C10 | C09 | 1.1° | 0.1° |
| C07 | N16 | C10 | C11 | 178.9° | 179.8° |
| N16 | C07 | C08 | H081 | 178.3° | 179.8° |
| C08 | C07 | N16 | C10 | 1.7° | 0.3° |
| C07 | C08 | C09 | H081 | 180.0° | 179.7° |
| C07 | C08 | C09 | C10 | 1.1° | 0.4° |
| C07 | C08 | C09 | C15 | 179.0° | 179.6° |
| C08 | C07 | N16 | H161 | 178.3° | 180.0° |
| N16 | C10 | C09 | C08 | 0.0° | 0.2° |
| N16 | C10 | C09 | C11 | 180.0° | 179.9° |
| N16 | C10 | C09 | C15 | 180.0° | 179.8° |
| N16 | C10 | C11 | C12 | 180.0° | 179.7° |
| N16 | C10 | C11 | H111 | 0.0° | 0.2° |
| C08 | C09 | C10 | C15 | 179.9° | 180.0° |
| C08 | C09 | C10 | C11 | 180.0° | 179.9° |
| C08 | C09 | C15 | C13 | 180.0° | 180.0° |
| C08 | C09 | C15 | H151 | 0.1° | 0.1° |
| C09 | C10 | C11 | C12 | 0.0° | 0.1° |
| C10 | C09 | C15 | C13 | 0.0° | 0.1° |
| C10 | C09 | C15 | H151 | 180.0° | 180.0° |
| C10 | C09 | C08 | H081 | 178.9° | 179.9° |
| C09 | C10 | C11 | H111 | 180.0° | 180.0° |
| C09 | C10 | N16 | H161 | 178.9° | 179.7° |
| C11 | C10 | C09 | C15 | 0.0° | 0.1° |
| C10 | C11 | C12 | H111 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.1° | 0.1° |
| C10 | C11 | C12 | H121 | 179.9° | 180.0° |
| C11 | C10 | N16 | H161 | 1.1° | 0.1° |
| C09 | C15 | C13 | H151 | 180.0° | 179.9° |
| C09 | C15 | C13 | C12 | 0.0° | 0.0° |
| C09 | C15 | C13 | F14 | 179.8° | 180.0° |
| C15 | C09 | C08 | H081 | 1.0° | 0.2° |
| C11 | C12 | C13 | C15 | 0.0° | 0.0° |
| C11 | C12 | C13 | H121 | 180.0° | 179.9° |
| C11 | C12 | C13 | F14 | 179.9° | 180.0° |
| C15 | C13 | C12 | F14 | 179.8° | 180.0° |
| C15 | C13 | C12 | H121 | 179.9° | 180.0° |
| C12 | C13 | C15 | H151 | 180.0° | 180.0° |
| C13 | C12 | C11 | H111 | 180.0° | 180.0° |
| F14 | C13 | C15 | H151 | 0.2° | 0.0° |
| F14 | C13 | C12 | H121 | 0.1° | 0.0° |
| H221 | C22 | C23 | H231 | 1.3° | 0.0° |
| H261 | C26 | C25 | H251 | 0.2° | 0.1° |
| H021 | C02 | C03 | H031 | 155.7° | 179.0° |
| H022 | C02 | C03 | H031 | 84.1° | 59.0° |
| H031 | C03 | C04 | H042 | 118.7° | 122.3° |
| H031 | C03 | C04 | H041 | 2.5° | 0.2° |
| H111 | C11 | C12 | H121 | 0.1° | 0.1° |
