BT9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.38Å | 1.40Å | Aromatic |
| C01 | C06 | sing | 1.40Å | 1.40Å | Aromatic |
| O16 | C14 | doub | 1.22Å | 1.35Å | |
| C02 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | O15 | sing | 1.35Å | 1.23Å | |
| C14 | C06 | sing | 1.48Å | 1.49Å | |
| C06 | C05 | doub | 1.39Å | 1.40Å | Aromatic |
| C03 | C04 | doub | 1.39Å | 1.41Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.40Å | Aromatic |
| C04 | N07 | sing | 1.40Å | 1.40Å | |
| N07 | C08 | sing | 1.40Å | 1.40Å | |
| C08 | C09 | doub | 1.39Å | 1.40Å | Aromatic |
| C08 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C17 | sing | 1.51Å | 1.50Å | |
| F18 | C17 | sing | 1.40Å | 1.32Å | |
| C17 | F20 | sing | 1.40Å | 1.32Å | |
| C17 | F19 | sing | 1.40Å | 1.32Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| N07 | H5 | sing | 0.97Å | 1.00Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| O15 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C06 | 119.7° | 120.0° |
| C01 | C02 | C03 | 120.4° | 120.3° |
| C02 | C01 | H1 | 120.2° | 120.0° |
| C01 | C02 | H2 | 119.8° | 119.9° |
| C01 | C06 | C14 | 121.4° | 120.0° |
| C01 | C06 | C05 | 119.6° | 119.8° |
| C06 | C01 | H1 | 120.2° | 120.1° |
| O16 | C14 | O15 | 119.7° | 120.0° |
| O16 | C14 | C06 | 121.7° | 120.0° |
| C02 | C03 | C04 | 120.5° | 120.2° |
| C03 | C02 | H2 | 119.8° | 119.8° |
| C02 | C03 | H3 | 119.7° | 119.9° |
| O15 | C14 | C06 | 118.6° | 120.1° |
| C14 | O15 | H10 | 109.5° | 117.0° |
| C14 | C06 | C05 | 119.0° | 120.1° |
| C06 | C05 | C04 | 121.1° | 119.8° |
| C06 | C05 | H4 | 119.5° | 120.2° |
| C03 | C04 | C05 | 118.7° | 120.0° |
| C03 | C04 | N07 | 116.6° | 120.0° |
| C04 | C03 | H3 | 119.7° | 119.9° |
| C05 | C04 | N07 | 124.7° | 120.0° |
| C04 | C05 | H4 | 119.4° | 120.1° |
| C04 | N07 | C08 | 131.8° | 120.0° |
| C04 | N07 | H5 | 114.1° | 120.0° |
| N07 | C08 | C09 | 116.7° | 120.1° |
| N07 | C08 | C13 | 124.8° | 120.1° |
| C08 | N07 | H5 | 114.1° | 120.0° |
| C09 | C08 | C13 | 118.4° | 119.9° |
| C08 | C09 | C10 | 120.5° | 119.9° |
| C08 | C09 | H6 | 119.7° | 120.0° |
| C08 | C13 | C12 | 120.8° | 119.9° |
| C08 | C13 | H9 | 119.6° | 120.1° |
| C09 | C10 | C11 | 120.7° | 120.1° |
| C10 | C09 | H6 | 119.7° | 120.1° |
| C09 | C10 | H7 | 119.6° | 119.9° |
| C13 | C12 | C11 | 120.8° | 120.0° |
| C13 | C12 | H8 | 119.6° | 119.9° |
| C12 | C13 | H9 | 119.6° | 120.0° |
| C10 | C11 | C12 | 118.8° | 120.2° |
| C10 | C11 | C17 | 121.0° | 120.0° |
| C11 | C10 | H7 | 119.6° | 119.9° |
| C12 | C11 | C17 | 120.3° | 119.9° |
| C11 | C12 | H8 | 119.6° | 120.0° |
| C11 | C17 | F18 | 113.7° | 109.5° |
| C11 | C17 | F20 | 108.7° | 109.5° |
| C11 | C17 | F19 | 110.4° | 109.5° |
| F18 | C17 | F20 | 108.2° | 109.5° |
| F18 | C17 | F19 | 108.6° | 109.4° |
| F20 | C17 | F19 | 107.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C06 | H1 | 180.0° | 179.7° |
| C01 | C02 | C03 | H2 | 180.0° | 180.0° |
| C02 | C01 | C06 | C14 | 179.6° | 180.0° |
| C02 | C01 | C06 | C05 | 0.1° | 0.0° |
| C01 | C02 | C03 | C04 | 0.2° | 0.0° |
| C01 | C02 | C03 | H3 | 179.8° | 180.0° |
| C01 | C06 | C14 | O16 | 17.4° | 180.0° |
| C06 | C01 | C02 | C03 | 0.0° | 0.0° |
| C01 | C06 | C14 | O15 | 161.7° | 0.0° |
| C01 | C06 | C14 | C05 | 179.7° | 180.0° |
| C01 | C06 | C05 | C04 | 0.3° | 0.0° |
| C06 | C01 | C02 | H2 | 180.0° | 180.0° |
| C01 | C06 | C05 | H4 | 179.8° | 179.9° |
| O16 | C14 | O15 | C06 | 179.1° | 179.9° |
| O16 | C14 | C06 | C05 | 162.9° | 0.0° |
| O16 | C14 | O15 | H10 | 0.0° | 0.0° |
| C02 | C03 | C04 | H3 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.3° | 0.0° |
| C02 | C03 | C04 | N07 | 178.5° | 180.0° |
| C03 | C02 | C01 | H1 | 180.0° | 179.7° |
| O15 | C14 | C06 | C05 | 18.0° | 179.9° |
| C14 | C06 | C05 | C04 | 179.5° | 180.0° |
| C14 | C06 | C01 | H1 | 0.4° | 0.3° |
| C14 | C06 | C05 | H4 | 0.5° | 0.1° |
| C06 | C14 | O15 | H10 | 179.1° | 180.0° |
| C06 | C05 | C04 | C03 | 0.4° | 0.1° |
| C06 | C05 | C04 | H4 | 180.0° | 179.9° |
| C06 | C05 | C04 | N07 | 178.4° | 180.0° |
| C05 | C06 | C01 | H1 | 180.0° | 179.7° |
| C03 | C04 | C05 | N07 | 178.0° | 180.0° |
| C03 | C04 | N07 | C08 | 131.1° | 149.6° |
| C04 | C03 | C02 | H2 | 179.9° | 180.0° |
| C03 | C04 | C05 | H4 | 179.6° | 180.0° |
| C03 | C04 | N07 | H5 | 49.0° | 30.4° |
| C05 | C04 | N07 | C08 | 47.0° | 30.4° |
| C05 | C04 | C03 | H3 | 179.7° | 180.0° |
| C05 | C04 | N07 | H5 | 133.0° | 149.6° |
| C04 | N07 | C08 | H5 | 180.0° | 180.0° |
| C04 | N07 | C08 | C09 | 160.8° | 150.0° |
| C04 | N07 | C08 | C13 | 19.8° | 30.3° |
| N07 | C04 | C03 | H3 | 1.5° | 0.0° |
| N07 | C04 | C05 | H4 | 1.7° | 0.0° |
| N07 | C08 | C09 | C13 | 179.5° | 179.7° |
| N07 | C08 | C09 | C10 | 179.5° | 180.0° |
| N07 | C08 | C13 | C12 | 179.1° | 179.8° |
| N07 | C08 | C09 | H6 | 0.6° | 0.1° |
| N07 | C08 | C13 | H9 | 0.9° | 0.0° |
| C08 | C09 | C10 | H6 | 180.0° | 179.9° |
| C09 | C08 | C13 | C12 | 0.3° | 0.5° |
| C08 | C09 | C10 | C11 | 0.3° | 0.0° |
| C09 | C08 | N07 | H5 | 19.2° | 30.0° |
| C08 | C09 | C10 | H7 | 179.7° | 180.0° |
| C09 | C08 | C13 | H9 | 179.7° | 179.7° |
| C13 | C08 | C09 | C10 | 0.0° | 0.3° |
| C08 | C13 | C12 | H9 | 180.0° | 179.8° |
| C08 | C13 | C12 | C11 | 0.4° | 0.5° |
| C13 | C08 | N07 | H5 | 160.2° | 149.8° |
| C13 | C08 | C09 | H6 | 180.0° | 179.8° |
| C08 | C13 | C12 | H8 | 179.6° | 179.7° |
| C09 | C10 | C11 | H7 | 180.0° | 180.0° |
| C09 | C10 | C11 | C12 | 0.3° | 0.0° |
| C09 | C10 | C11 | C17 | 179.9° | 179.9° |
| C13 | C12 | C11 | C10 | 0.1° | 0.2° |
| C13 | C12 | C11 | H8 | 180.0° | 179.8° |
| C13 | C12 | C11 | C17 | 179.8° | 179.7° |
| C10 | C11 | C12 | C17 | 179.8° | 180.0° |
| C10 | C11 | C17 | F18 | 30.4° | 150.0° |
| C10 | C11 | C17 | F20 | 151.0° | 90.0° |
| C10 | C11 | C17 | F19 | 91.9° | 30.0° |
| C11 | C10 | C09 | H6 | 179.7° | 179.9° |
| C10 | C11 | C12 | H8 | 179.9° | 179.9° |
| C12 | C11 | C17 | F18 | 149.4° | 30.1° |
| C12 | C11 | C17 | F20 | 28.9° | 90.0° |
| C12 | C11 | C17 | F19 | 88.2° | 150.0° |
| C12 | C11 | C10 | H7 | 179.8° | 180.0° |
| C11 | C12 | C13 | H9 | 179.7° | 179.7° |
| C11 | C17 | F18 | F20 | 120.8° | 120.1° |
| C11 | C17 | F18 | F19 | 123.3° | 120.0° |
| C11 | C17 | F20 | F19 | 119.2° | 120.0° |
| C17 | C11 | C10 | H7 | 0.1° | 0.0° |
| C17 | C11 | C12 | H8 | 0.2° | 0.1° |
| F18 | C17 | F20 | F19 | 116.9° | 119.9° |
| H1 | C01 | C02 | H2 | 0.0° | 0.3° |
| H2 | C02 | C03 | H3 | 0.1° | 0.0° |
| H6 | C09 | C10 | H7 | 0.3° | 0.1° |
| H8 | C12 | C13 | H9 | 0.3° | 0.1° |
