U0V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | F01 | sing | 1.35Å | 1.37Å | |
| C03 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | doub | 1.40Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.48Å | 1.53Å | |
| O09 | C08 | doub | 1.22Å | 1.19Å | |
| N10 | C08 | sing | 1.35Å | 1.46Å | |
| C11 | N10 | sing | 1.46Å | 1.46Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C14 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| N16 | C15 | doub | 1.32Å | 1.33Å | Aromatic |
| C17 | N16 | sing | 1.32Å | 1.31Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | C07 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C18 | sing | 1.39Å | 1.37Å | Aromatic |
| C15 | H151 | 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 | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F01 | C02 | C03 | 119.6° | 120.1° |
| F01 | C02 | C07 | 121.0° | 120.1° |
| C02 | C03 | C04 | 121.1° | 120.1° |
| C03 | C02 | C07 | 119.4° | 119.8° |
| C02 | C03 | H031 | 119.4° | 120.0° |
| C03 | C04 | C05 | 119.6° | 120.3° |
| C04 | C03 | H031 | 119.4° | 119.9° |
| C03 | C04 | H041 | 120.2° | 119.8° |
| C04 | C05 | C06 | 119.7° | 120.3° |
| C05 | C04 | H041 | 120.2° | 119.8° |
| C04 | C05 | H051 | 120.2° | 119.9° |
| C05 | C06 | C07 | 120.8° | 119.9° |
| C06 | C05 | H051 | 120.2° | 119.8° |
| C05 | C06 | H061 | 119.6° | 120.1° |
| C06 | C07 | C08 | 119.0° | 120.2° |
| C06 | C07 | C02 | 119.5° | 119.6° |
| C07 | C06 | H061 | 119.6° | 120.0° |
| C07 | C08 | O09 | 118.5° | 120.0° |
| C07 | C08 | N10 | 120.9° | 120.0° |
| C08 | C07 | C02 | 121.6° | 120.2° |
| O09 | C08 | N10 | 120.6° | 120.0° |
| C08 | N10 | C11 | 121.9° | 120.0° |
| C08 | N10 | H101 | 119.1° | 120.0° |
| N10 | C11 | C12 | 106.3° | 109.5° |
| N10 | C11 | H112 | 110.3° | 109.5° |
| N10 | C11 | H111 | 110.3° | 109.5° |
| C11 | N10 | H101 | 119.1° | 120.0° |
| C11 | C12 | C13 | 117.1° | 109.5° |
| C12 | C11 | H112 | 110.3° | 109.5° |
| C12 | C11 | H111 | 110.3° | 109.5° |
| C11 | C12 | H121 | 107.6° | 109.5° |
| C11 | C12 | H122 | 107.5° | 109.5° |
| C12 | C13 | C14 | 123.2° | 120.8° |
| C12 | C13 | C18 | 118.2° | 120.8° |
| C13 | C12 | H121 | 107.5° | 109.5° |
| C13 | C12 | H122 | 107.6° | 109.5° |
| C13 | C14 | C15 | 118.1° | 119.1° |
| C14 | C13 | C18 | 118.6° | 118.4° |
| C13 | C14 | H141 | 120.9° | 120.4° |
| C14 | C15 | N16 | 121.8° | 120.8° |
| C14 | C15 | H151 | 119.1° | 119.6° |
| C15 | C14 | H141 | 121.0° | 120.4° |
| C15 | N16 | C17 | 120.2° | 121.7° |
| N16 | C15 | H151 | 119.1° | 119.7° |
| N16 | C17 | C18 | 121.8° | 120.8° |
| N16 | C17 | H171 | 119.1° | 119.6° |
| C17 | C18 | C13 | 119.5° | 119.2° |
| C18 | C17 | H171 | 119.1° | 119.6° |
| C17 | C18 | H181 | 120.2° | 120.4° |
| C13 | C18 | H181 | 120.3° | 120.4° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F01 | C02 | C03 | C07 | 180.0° | 179.8° |
| F01 | C02 | C03 | C04 | 179.7° | 179.9° |
| F01 | C02 | C07 | C06 | 180.0° | 179.8° |
| F01 | C02 | C07 | C08 | 0.5° | 0.1° |
| F01 | C02 | C03 | H031 | 0.3° | 0.0° |
| C02 | C03 | C04 | H031 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.2° | 0.0° |
| C03 | C02 | C07 | C06 | 0.1° | 0.5° |
| C03 | C02 | C07 | C08 | 179.5° | 179.7° |
| C02 | C03 | C04 | H041 | 179.9° | 180.0° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.3° | 0.0° |
| C04 | C03 | C02 | C07 | 0.3° | 0.3° |
| C03 | C04 | C05 | H051 | 179.7° | 180.0° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.6° | 0.2° |
| C05 | C04 | C03 | H031 | 179.9° | 180.0° |
| C04 | C05 | C06 | H061 | 179.4° | 179.9° |
| C05 | C06 | C07 | H061 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 180.0° | 179.8° |
| C05 | C06 | C07 | C02 | 0.5° | 0.4° |
| C06 | C05 | C04 | H041 | 179.7° | 179.9° |
| C06 | C07 | C08 | C02 | 179.5° | 179.8° |
| C06 | C07 | C08 | O09 | 30.3° | 179.7° |
| C06 | C07 | C08 | N10 | 149.2° | 0.2° |
| C07 | C06 | C05 | H051 | 179.4° | 179.8° |
| C07 | C08 | O09 | N10 | 179.5° | 179.9° |
| C07 | C08 | N10 | C11 | 178.7° | 180.0° |
| C08 | C07 | C06 | H061 | 0.0° | 0.1° |
| C07 | C08 | N10 | H101 | 1.4° | 0.1° |
| O09 | C08 | N10 | C11 | 0.9° | 0.1° |
| O09 | C08 | C07 | C02 | 150.2° | 0.1° |
| O09 | C08 | N10 | H101 | 179.1° | 180.0° |
| C08 | N10 | C11 | H101 | 180.0° | 179.9° |
| C08 | N10 | C11 | C12 | 89.4° | 180.0° |
| N10 | C08 | C07 | C02 | 30.3° | 180.0° |
| C08 | N10 | C11 | H112 | 151.1° | 60.0° |
| C08 | N10 | C11 | H111 | 30.1° | 60.0° |
| N10 | C11 | C12 | H112 | 119.5° | 120.0° |
| N10 | C11 | C12 | H111 | 119.5° | 120.0° |
| N10 | C11 | C12 | C13 | 167.3° | 180.0° |
| N10 | C11 | H112 | H111 | 121.5° | 120.0° |
| N10 | C11 | C12 | H121 | 71.6° | 60.0° |
| N10 | C11 | C12 | H122 | 46.2° | 60.0° |
| C11 | C12 | C13 | H121 | 121.1° | 120.0° |
| C11 | C12 | C13 | H122 | 121.1° | 120.0° |
| C11 | C12 | C13 | C14 | 31.7° | 89.8° |
| C11 | C12 | C13 | C18 | 148.8° | 90.0° |
| C12 | C11 | H112 | H111 | 121.5° | 120.0° |
| C11 | C12 | H121 | H122 | 116.5° | 120.0° |
| C12 | C11 | N10 | H101 | 90.7° | 0.1° |
| C12 | C13 | C14 | C18 | 179.5° | 179.8° |
| C12 | C13 | C14 | C15 | 179.4° | 180.0° |
| C12 | C13 | C18 | C17 | 179.3° | 180.0° |
| C13 | C12 | C11 | H112 | 47.8° | 60.0° |
| C13 | C12 | C11 | H111 | 73.2° | 60.0° |
| C13 | C12 | H121 | H122 | 116.6° | 120.0° |
| C12 | C13 | C14 | H141 | 0.5° | 0.1° |
| C12 | C13 | C18 | H181 | 0.8° | 0.0° |
| C13 | C14 | C15 | H141 | 180.0° | 180.0° |
| C13 | C14 | C15 | N16 | 0.0° | 0.0° |
| C14 | C13 | C18 | C17 | 0.3° | 0.3° |
| C13 | C14 | C15 | H151 | 180.0° | 179.9° |
| C14 | C13 | C12 | H121 | 89.4° | 30.2° |
| C14 | C13 | C12 | H122 | 152.8° | 150.2° |
| C14 | C13 | C18 | H181 | 179.7° | 179.8° |
| C14 | C15 | N16 | H151 | 180.0° | 180.0° |
| C14 | C15 | N16 | C17 | 0.2° | 0.3° |
| C15 | C14 | C13 | C18 | 0.0° | 0.3° |
| C15 | N16 | C17 | C18 | 0.4° | 0.3° |
| C15 | N16 | C17 | H171 | 179.6° | 180.0° |
| N16 | C15 | C14 | H141 | 180.0° | 180.0° |
| N16 | C17 | C18 | H171 | 180.0° | 179.6° |
| N16 | C17 | C18 | C13 | 0.4° | 0.0° |
| C17 | N16 | C15 | H151 | 179.8° | 179.6° |
| N16 | C17 | C18 | H181 | 179.6° | 179.9° |
| C17 | C18 | C13 | H181 | 180.0° | 179.9° |
| C07 | C02 | C03 | H031 | 179.8° | 179.8° |
| C02 | C07 | C06 | H061 | 179.5° | 179.7° |
| C13 | C18 | C17 | H171 | 179.6° | 179.7° |
| C18 | C13 | C12 | H121 | 90.1° | 150.0° |
| C18 | C13 | C12 | H122 | 27.7° | 30.0° |
| C18 | C13 | C14 | H141 | 180.0° | 179.7° |
| H151 | C15 | C14 | H141 | 0.0° | 0.0° |
| H171 | C17 | C18 | H181 | 0.4° | 0.3° |
| H031 | C03 | C04 | H041 | 0.1° | 0.1° |
| H041 | C04 | C05 | H051 | 0.3° | 0.1° |
| H051 | C05 | C06 | H061 | 0.6° | 0.1° |
| H112 | C11 | C12 | H121 | 168.9° | 180.0° |
| H112 | C11 | C12 | H122 | 73.3° | 60.0° |
| H112 | C11 | N10 | H101 | 28.8° | 120.0° |
| H111 | C11 | C12 | H121 | 47.9° | 60.0° |
| H111 | C11 | C12 | H122 | 165.7° | NaN° |
| H111 | C11 | N10 | H101 | 149.8° | 120.0° |
