T0V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | F01 | sing | 1.35Å | 1.35Å | |
| C03 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| N08 | C07 | sing | 1.47Å | 1.48Å | |
| C09 | N08 | sing | 1.47Å | 1.41Å | |
| C10 | C09 | sing | 1.51Å | 1.54Å | |
| C11 | C10 | doub | 1.35Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.41Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.35Å | 1.43Å | Aromatic |
| O14 | C13 | sing | 1.34Å | 1.33Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.56Å | |
| C15 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | O14 | sing | 1.34Å | 1.37Å | Aromatic |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | 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 | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| N08 | H1 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F01 | C02 | C03 | 121.0° | 120.0° |
| F01 | C02 | C15 | 118.8° | 120.0° |
| C02 | C03 | C04 | 120.1° | 120.0° |
| C03 | C02 | C15 | 120.2° | 119.9° |
| C02 | C03 | H031 | 120.0° | 120.0° |
| C03 | C04 | C05 | 120.0° | 120.0° |
| C04 | C03 | H031 | 119.9° | 120.0° |
| C03 | C04 | H041 | 120.0° | 120.0° |
| C04 | C05 | C06 | 119.6° | 120.1° |
| C05 | C04 | H041 | 120.0° | 120.0° |
| C04 | C05 | H051 | 120.2° | 120.0° |
| C05 | C06 | C07 | 120.8° | 120.0° |
| C05 | C06 | C15 | 120.4° | 120.0° |
| C06 | C05 | H051 | 120.2° | 119.9° |
| C07 | N08 | C09 | 108.8° | 111.0° |
| N08 | C07 | C06 | 112.8° | 109.5° |
| N08 | C07 | H072 | 108.6° | 109.5° |
| N08 | C07 | H071 | 108.6° | 109.4° |
| C07 | N08 | H1 | 109.6° | 111.0° |
| N08 | C09 | C10 | 111.3° | 109.4° |
| N08 | C09 | H092 | 109.0° | 109.5° |
| N08 | C09 | H091 | 109.0° | 109.5° |
| C09 | N08 | H1 | 109.7° | 111.0° |
| C09 | C10 | C11 | 126.9° | 125.8° |
| C09 | C10 | O14 | 125.6° | 125.8° |
| C10 | C09 | H092 | 109.0° | 109.4° |
| C10 | C09 | H091 | 109.0° | 109.5° |
| C10 | C11 | C12 | 107.4° | 106.9° |
| C11 | C10 | O14 | 107.5° | 108.4° |
| C10 | C11 | H111 | 126.3° | 126.6° |
| C11 | C12 | C13 | 107.0° | 106.8° |
| C12 | C11 | H111 | 126.3° | 126.6° |
| C11 | C12 | H121 | 126.5° | 126.6° |
| C12 | C13 | O14 | 107.6° | 108.4° |
| C12 | C13 | H131 | 126.2° | 125.8° |
| C13 | C12 | H121 | 126.5° | 126.6° |
| C13 | O14 | C10 | 110.5° | 109.5° |
| O14 | C13 | H131 | 126.2° | 125.8° |
| C07 | C06 | C15 | 118.8° | 120.0° |
| C06 | C07 | H072 | 108.6° | 109.5° |
| C06 | C07 | H071 | 108.6° | 109.5° |
| C06 | C15 | C02 | 119.7° | 120.0° |
| C06 | C15 | H151 | 120.1° | 120.0° |
| C02 | C15 | H151 | 120.2° | 120.0° |
| H072 | C07 | H071 | 109.5° | 109.4° |
| H092 | C09 | H091 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F01 | C02 | C03 | C15 | 179.5° | 180.0° |
| F01 | C02 | C03 | C04 | 180.0° | 180.0° |
| F01 | C02 | C15 | C06 | 179.5° | 180.0° |
| F01 | C02 | C15 | H151 | 0.5° | 0.2° |
| F01 | C02 | C03 | H031 | 0.0° | 0.1° |
| C02 | C03 | C04 | H031 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 0.6° | 0.0° |
| C03 | C02 | C15 | C06 | 0.1° | 0.0° |
| C03 | C02 | C15 | H151 | 179.9° | 179.8° |
| C02 | C03 | C04 | H041 | 179.4° | 180.0° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.3° | 0.0° |
| C04 | C03 | C02 | C15 | 0.5° | 0.0° |
| C03 | C04 | C05 | H051 | 179.8° | 180.0° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 179.1° | 179.8° |
| C04 | C05 | C06 | C15 | 0.2° | 0.0° |
| C05 | C04 | C03 | H031 | 179.4° | 179.9° |
| C05 | C06 | C07 | N08 | 54.6° | 90.2° |
| C05 | C06 | C07 | C15 | 178.9° | 179.8° |
| C05 | C06 | C15 | C02 | 0.3° | 0.0° |
| C05 | C06 | C15 | H151 | 179.7° | 179.8° |
| C06 | C05 | C04 | H041 | 179.7° | 180.0° |
| C05 | C06 | C07 | H072 | 175.1° | 29.8° |
| C05 | C06 | C07 | H071 | 65.9° | 149.7° |
| C07 | N08 | C09 | H1 | 119.9° | 123.9° |
| C07 | N08 | C09 | C10 | 164.0° | 180.0° |
| N08 | C07 | C06 | H072 | 120.5° | 120.0° |
| N08 | C07 | C06 | H071 | 120.5° | 120.0° |
| N08 | C07 | C06 | C15 | 126.5° | 90.0° |
| N08 | C07 | H072 | H071 | 118.5° | 119.9° |
| C07 | N08 | C09 | H092 | 75.7° | 60.0° |
| C07 | N08 | C09 | H091 | 43.8° | 60.0° |
| N08 | C09 | C10 | H092 | 120.3° | 120.0° |
| N08 | C09 | C10 | H091 | 120.3° | 120.0° |
| N08 | C09 | C10 | C11 | 86.6° | 90.3° |
| C09 | N08 | C07 | C06 | 177.0° | 180.0° |
| N08 | C09 | C10 | O14 | 94.2° | 90.0° |
| C09 | N08 | C07 | H072 | 56.5° | 59.9° |
| C09 | N08 | C07 | H071 | 62.6° | 60.0° |
| N08 | C09 | H092 | H091 | 119.2° | 120.0° |
| C09 | C10 | C11 | O14 | 179.3° | 179.7° |
| C09 | C10 | C11 | C12 | 179.8° | 180.0° |
| C09 | C10 | O14 | C13 | 180.0° | 179.9° |
| C10 | C09 | H092 | H091 | 119.1° | 120.0° |
| C09 | C10 | C11 | H111 | 0.2° | 0.0° |
| C10 | C09 | N08 | H1 | 44.1° | 56.0° |
| C10 | C11 | C12 | H111 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C11 | C10 | O14 | C13 | 0.7° | 0.4° |
| C11 | C10 | C09 | H092 | 33.6° | 149.7° |
| C11 | C10 | C09 | H091 | 153.1° | 29.7° |
| C10 | C11 | C12 | H121 | 179.8° | 179.8° |
| C11 | C12 | C13 | H121 | 180.0° | 179.9° |
| C11 | C12 | C13 | O14 | 0.2° | 0.2° |
| C12 | C11 | C10 | O14 | 0.6° | 0.2° |
| C11 | C12 | C13 | H131 | 179.8° | 179.9° |
| C12 | C13 | O14 | H131 | 180.0° | 179.9° |
| C12 | C13 | O14 | C10 | 0.6° | 0.4° |
| C13 | C12 | C11 | H111 | 179.8° | 180.0° |
| O14 | C13 | C12 | H121 | 179.8° | 180.0° |
| C07 | C06 | C15 | C02 | 179.2° | 179.7° |
| C07 | C06 | C15 | H151 | 0.8° | 0.0° |
| C07 | C06 | C05 | H051 | 0.9° | 0.3° |
| C06 | C07 | H072 | H071 | 118.4° | 120.0° |
| C06 | C07 | N08 | H1 | 57.0° | 56.1° |
| C06 | C15 | C02 | H151 | 180.0° | 179.8° |
| C15 | C06 | C05 | H051 | 179.8° | 180.0° |
| C15 | C06 | C07 | H072 | 6.0° | 150.0° |
| C15 | C06 | C07 | H071 | 113.0° | 30.0° |
| C15 | C02 | C03 | H031 | 179.5° | 179.9° |
| C10 | O14 | C13 | H131 | 179.4° | 179.8° |
| O14 | C10 | C09 | H092 | 145.5° | 29.9° |
| O14 | C10 | C09 | H091 | 26.1° | 150.0° |
| O14 | C10 | C11 | H111 | 179.5° | 179.7° |
| H131 | C13 | C12 | H121 | 0.2° | 0.1° |
| H031 | C03 | C04 | H041 | 0.6° | 0.1° |
| H041 | C04 | C05 | H051 | 0.2° | 0.0° |
| H072 | C07 | N08 | H1 | 63.4° | 176.1° |
| H071 | C07 | N08 | H1 | 177.5° | 64.0° |
| H092 | C09 | N08 | H1 | 164.4° | 63.9° |
| H091 | C09 | N08 | H1 | 76.1° | 176.1° |
| H111 | C11 | C12 | H121 | 0.2° | 0.2° |
