U7Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F19 | C18 | sing | 1.40Å | 1.36Å | |
| F01 | C02 | sing | 1.35Å | 1.37Å | |
| F20 | C18 | sing | 1.40Å | 1.36Å | |
| C03 | C02 | doub | 1.39Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C14 | sing | 1.51Å | 1.52Å | |
| C18 | F21 | sing | 1.40Å | 1.37Å | |
| N15 | C16 | doub | 1.32Å | 1.32Å | Aromatic |
| N15 | C14 | sing | 1.32Å | 1.32Å | Aromatic |
| C02 | C07 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | doub | 1.40Å | 1.38Å | Aromatic |
| C07 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.40Å | 1.38Å | Aromatic |
| C05 | C08 | sing | 1.43Å | 1.52Å | |
| C13 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | N11 | sing | 1.39Å | 1.46Å | |
| C08 | C09 | trip | 1.17Å | 1.18Å | |
| C09 | C10 | sing | 1.47Å | 1.53Å | |
| N11 | C10 | sing | 1.46Å | 1.45Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | 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) |
| F19 | C18 | F20 | 110.5° | 109.5° |
| F19 | C18 | C14 | 109.6° | 109.5° |
| F19 | C18 | F21 | 109.3° | 109.5° |
| F01 | C02 | C03 | 120.2° | 119.9° |
| F01 | C02 | C07 | 119.8° | 119.9° |
| F20 | C18 | C14 | 108.8° | 109.5° |
| F20 | C18 | F21 | 109.4° | 109.4° |
| C02 | C03 | C04 | 119.8° | 120.2° |
| C03 | C02 | C07 | 120.0° | 120.2° |
| C02 | C03 | H031 | 120.1° | 120.0° |
| C03 | C04 | C05 | 120.0° | 119.8° |
| C04 | C03 | H031 | 120.1° | 119.9° |
| C03 | C04 | H041 | 120.0° | 120.1° |
| C14 | C18 | F21 | 109.2° | 109.5° |
| C18 | C14 | N15 | 119.7° | 119.5° |
| C18 | C14 | C13 | 118.2° | 119.6° |
| C16 | N15 | C14 | 120.6° | 121.9° |
| N15 | C16 | C17 | 121.6° | 120.8° |
| N15 | C16 | H161 | 119.2° | 119.6° |
| N15 | C14 | C13 | 122.0° | 120.8° |
| C02 | C07 | C06 | 120.1° | 120.1° |
| C02 | C07 | H071 | 120.0° | 120.0° |
| C16 | C17 | C12 | 118.3° | 119.1° |
| C16 | C17 | H171 | 120.8° | 120.4° |
| C17 | C16 | H161 | 119.2° | 119.6° |
| C14 | C13 | C12 | 118.4° | 119.1° |
| C14 | C13 | H131 | 120.8° | 120.4° |
| C04 | C05 | C06 | 120.2° | 119.8° |
| C04 | C05 | C08 | 119.6° | 120.1° |
| C05 | C04 | H041 | 120.0° | 120.1° |
| C07 | C06 | C05 | 119.9° | 119.9° |
| C07 | C06 | H061 | 120.1° | 120.0° |
| C06 | C07 | H071 | 120.0° | 119.9° |
| C17 | C12 | C13 | 119.1° | 118.3° |
| C17 | C12 | N11 | 121.8° | 120.9° |
| C12 | C17 | H171 | 120.8° | 120.5° |
| C06 | C05 | C08 | 120.2° | 120.1° |
| C05 | C06 | H061 | 120.1° | 120.1° |
| C05 | C08 | C09 | 178.9° | 180.0° |
| C13 | C12 | N11 | 119.1° | 120.8° |
| C12 | C13 | H131 | 120.8° | 120.5° |
| C12 | N11 | C10 | 119.9° | 120.0° |
| C12 | N11 | H111 | 106.8° | 120.0° |
| C08 | C09 | C10 | 176.9° | 180.0° |
| C09 | C10 | N11 | 109.0° | 109.5° |
| C09 | C10 | H102 | 109.6° | 109.5° |
| C09 | C10 | H101 | 109.6° | 109.5° |
| N11 | C10 | H102 | 109.6° | 109.5° |
| N11 | C10 | H101 | 109.6° | 109.4° |
| C10 | N11 | H111 | 106.8° | 120.0° |
| H102 | C10 | H101 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F19 | C18 | F20 | C14 | 120.4° | 120.0° |
| F19 | C18 | F20 | F21 | 120.4° | 120.0° |
| F19 | C18 | C14 | F21 | 119.7° | 120.0° |
| F19 | C18 | C14 | N15 | 72.1° | 30.0° |
| F19 | C18 | C14 | C13 | 108.2° | 150.0° |
| F01 | C02 | C03 | C07 | 179.9° | 179.7° |
| F01 | C02 | C03 | C04 | 179.9° | 179.7° |
| F01 | C02 | C07 | C06 | 179.9° | 179.7° |
| F01 | C02 | C03 | H031 | 0.1° | 0.3° |
| F01 | C02 | C07 | H071 | 0.1° | 0.3° |
| F20 | C18 | C14 | F21 | 119.4° | 119.9° |
| F20 | C18 | C14 | N15 | 48.8° | 150.0° |
| F20 | C18 | C14 | C13 | 130.8° | 29.9° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.1° | 0.0° |
| C03 | C02 | C07 | C06 | 0.0° | 0.0° |
| C02 | C03 | C04 | H041 | 179.9° | 179.9° |
| C03 | C02 | C07 | H071 | 180.0° | 180.0° |
| C04 | C03 | C02 | C07 | 0.0° | 0.0° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.1° | 0.1° |
| C03 | C04 | C05 | C08 | 179.9° | 180.0° |
| C18 | C14 | N15 | C16 | 179.8° | 179.9° |
| C18 | C14 | N15 | C13 | 179.7° | 180.0° |
| C18 | C14 | C13 | C12 | 180.0° | 180.0° |
| C18 | C14 | C13 | H131 | 0.1° | 0.3° |
| F21 | C18 | C14 | N15 | 168.2° | 90.0° |
| F21 | C18 | C14 | C13 | 11.5° | 90.0° |
| N15 | C16 | C17 | H161 | 180.0° | 179.4° |
| C16 | N15 | C14 | C13 | 0.2° | 0.0° |
| N15 | C16 | C17 | C12 | 0.0° | 0.6° |
| N15 | C16 | C17 | H171 | 180.0° | 180.0° |
| C14 | N15 | C16 | C17 | 0.0° | 0.3° |
| N15 | C14 | C13 | C12 | 0.3° | 0.0° |
| N15 | C14 | C13 | H131 | 179.7° | 179.7° |
| C14 | N15 | C16 | H161 | 180.0° | 179.7° |
| C02 | C07 | C06 | H071 | 180.0° | 180.0° |
| C02 | C07 | C06 | C05 | 0.1° | 0.0° |
| C07 | C02 | C03 | H031 | 180.0° | 180.0° |
| C02 | C07 | C06 | H061 | 179.9° | 179.9° |
| C16 | C17 | C12 | H171 | 180.0° | 179.4° |
| C16 | C17 | C12 | C13 | 0.1° | 0.6° |
| C16 | C17 | C12 | N11 | 180.0° | 179.5° |
| C14 | C13 | C12 | C17 | 0.3° | 0.3° |
| C14 | C13 | C12 | H131 | 180.0° | 179.7° |
| C14 | C13 | C12 | N11 | 179.9° | 179.8° |
| C04 | C05 | C06 | C07 | 0.1° | 0.1° |
| C04 | C05 | C06 | C08 | 180.0° | 180.0° |
| C04 | C05 | C08 | C09 | 16.5° | 26.5° |
| C05 | C04 | C03 | H031 | 179.9° | 180.0° |
| C04 | C05 | C06 | H061 | 179.9° | 180.0° |
| C07 | C06 | C05 | H061 | 180.0° | 179.9° |
| C07 | C06 | C05 | C08 | 179.9° | 180.0° |
| C17 | C12 | C13 | N11 | 179.8° | 179.9° |
| C17 | C12 | N11 | C10 | 2.2° | 0.0° |
| C17 | C12 | C13 | H131 | 179.7° | 180.0° |
| C12 | C17 | C16 | H161 | 180.0° | 180.0° |
| C17 | C12 | N11 | H111 | 123.7° | 179.9° |
| C06 | C05 | C08 | C09 | 163.5° | 153.6° |
| C06 | C05 | C04 | H041 | 179.9° | 180.0° |
| C05 | C06 | C07 | H071 | 179.9° | 180.0° |
| C05 | C08 | C09 | C10 | 62.7° | 176.4° |
| C08 | C05 | C04 | H041 | 0.1° | 0.1° |
| C08 | C05 | C06 | H061 | 0.1° | 0.1° |
| C13 | C12 | N11 | C10 | 177.6° | 180.0° |
| C13 | C12 | C17 | H171 | 179.8° | 180.0° |
| C13 | C12 | N11 | H111 | 56.2° | 0.0° |
| C12 | N11 | C10 | C09 | 75.0° | 180.0° |
| C12 | N11 | C10 | H111 | 121.5° | 179.9° |
| C12 | N11 | C10 | H102 | 165.1° | 59.9° |
| C12 | N11 | C10 | H101 | 44.9° | 60.0° |
| N11 | C12 | C13 | H131 | 0.1° | 0.1° |
| N11 | C12 | C17 | H171 | 0.0° | 0.0° |
| C08 | C09 | C10 | N11 | 128.2° | 89.9° |
| C08 | C09 | C10 | H102 | 111.9° | 30.1° |
| C08 | C09 | C10 | H101 | 8.3° | 150.1° |
| C09 | C10 | N11 | H102 | 119.9° | 120.1° |
| C09 | C10 | N11 | H101 | 119.9° | 120.0° |
| C09 | C10 | H102 | H101 | 120.2° | 120.0° |
| C09 | C10 | N11 | H111 | 163.5° | 0.1° |
| N11 | C10 | H102 | H101 | 120.2° | 119.9° |
| H102 | C10 | N11 | H111 | 43.6° | 120.0° |
| H101 | C10 | N11 | H111 | 76.5° | 120.1° |
| H171 | C17 | C16 | H161 | 0.0° | 0.6° |
| H031 | C03 | C04 | H041 | 0.1° | 0.1° |
| H061 | C06 | C07 | H071 | 0.1° | 0.1° |
