8TM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | C3 | doub | 1.36Å | 1.38Å | Aromatic |
| C2 | C4 | doub | 1.36Å | 1.38Å | Aromatic |
| C3 | C10 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | C11 | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | C13 | doub | 1.39Å | 1.38Å | Aromatic |
| C8 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C9 | N16 | doub | 1.31Å | 1.33Å | Aromatic |
| C9 | N17 | sing | 1.32Å | 1.33Å | Aromatic |
| C10 | C11 | doub | 1.42Å | 1.39Å | Aromatic |
| C10 | C14 | sing | 1.42Å | 1.39Å | Aromatic |
| C11 | N16 | sing | 1.34Å | 1.34Å | Aromatic |
| C12 | N18 | sing | 1.40Å | 1.41Å | |
| C13 | S22 | sing | 1.76Å | 1.77Å | |
| C14 | N17 | doub | 1.33Å | 1.34Å | Aromatic |
| C14 | N18 | sing | 1.38Å | 1.41Å | |
| C15 | F19 | sing | 1.40Å | 1.36Å | |
| C15 | F20 | sing | 1.40Å | 1.36Å | |
| C15 | F21 | sing | 1.40Å | 1.36Å | |
| C15 | S22 | sing | 1.81Å | 1.81Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N18 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 119.8° | 120.8° |
| C1 | C2 | C4 | 119.6° | 121.1° |
| C2 | C1 | H1 | 120.1° | 119.6° |
| C1 | C2 | H2 | 120.2° | 119.5° |
| C1 | C3 | C10 | 120.6° | 119.5° |
| C3 | C1 | H1 | 120.1° | 119.5° |
| C1 | C3 | H3 | 119.7° | 120.2° |
| C2 | C4 | C11 | 121.4° | 119.5° |
| C4 | C2 | H2 | 120.2° | 119.4° |
| C2 | C4 | H4 | 119.3° | 120.2° |
| C3 | C10 | C11 | 120.2° | 119.7° |
| C3 | C10 | C14 | 121.4° | 122.1° |
| C10 | C3 | H3 | 119.7° | 120.2° |
| C4 | C11 | C10 | 118.4° | 119.3° |
| C4 | C11 | N16 | 119.8° | 121.9° |
| C11 | C4 | H4 | 119.3° | 120.2° |
| C7 | C5 | C12 | 121.5° | 120.0° |
| C5 | C7 | C13 | 119.8° | 120.0° |
| C7 | C5 | H5 | 119.2° | 120.0° |
| C5 | C7 | H7 | 120.1° | 120.0° |
| C5 | C12 | C6 | 118.0° | 120.0° |
| C5 | C12 | N18 | 122.5° | 120.0° |
| C12 | C5 | H5 | 119.3° | 120.0° |
| C8 | C6 | C12 | 121.0° | 120.0° |
| C6 | C8 | C13 | 120.2° | 120.0° |
| C8 | C6 | H6 | 119.5° | 120.0° |
| C6 | C8 | H8 | 119.9° | 120.0° |
| C6 | C12 | N18 | 119.5° | 120.0° |
| C12 | C6 | H6 | 119.5° | 120.0° |
| C7 | C13 | C8 | 119.5° | 120.0° |
| C7 | C13 | S22 | 119.8° | 120.0° |
| C13 | C7 | H7 | 120.1° | 120.0° |
| C8 | C13 | S22 | 120.7° | 120.0° |
| C13 | C8 | H8 | 119.9° | 120.0° |
| N16 | C9 | N17 | 128.0° | 123.0° |
| C9 | N16 | C11 | 114.8° | 120.4° |
| N16 | C9 | H9 | 116.0° | 118.5° |
| C9 | N17 | C14 | 116.6° | 121.5° |
| N17 | C9 | H9 | 116.0° | 118.5° |
| C11 | C10 | C14 | 118.4° | 118.2° |
| C10 | C11 | N16 | 121.8° | 118.8° |
| C10 | C14 | N17 | 120.3° | 118.2° |
| C10 | C14 | N18 | 119.6° | 120.9° |
| C12 | N18 | C14 | 127.6° | 120.0° |
| C12 | N18 | H18 | 116.2° | 120.0° |
| C13 | S22 | C15 | 98.1° | 103.0° |
| N17 | C14 | N18 | 120.1° | 120.9° |
| C14 | N18 | H18 | 116.2° | 120.0° |
| F19 | C15 | F20 | 106.1° | 109.5° |
| F19 | C15 | F21 | 107.9° | 109.5° |
| F19 | C15 | S22 | 110.2° | 109.4° |
| F20 | C15 | F21 | 108.6° | 109.5° |
| F20 | C15 | S22 | 113.2° | 109.4° |
| F21 | C15 | S22 | 110.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | H1 | 180.0° | 179.7° |
| C1 | C2 | C4 | H2 | 180.0° | 180.0° |
| C2 | C1 | C3 | C10 | 0.4° | 0.0° |
| C1 | C2 | C4 | C11 | 0.4° | 0.0° |
| C2 | C1 | C3 | H3 | 179.7° | 180.0° |
| C1 | C2 | C4 | H4 | 179.6° | 180.0° |
| C3 | C1 | C2 | C4 | 0.3° | 0.0° |
| C1 | C3 | C10 | H3 | 180.0° | 180.0° |
| C1 | C3 | C10 | C11 | 0.2° | 0.0° |
| C1 | C3 | C10 | C14 | 179.3° | 180.0° |
| C3 | C1 | C2 | H2 | 179.7° | 180.0° |
| C2 | C4 | C11 | H4 | 180.0° | 179.9° |
| C2 | C4 | C11 | C10 | 0.9° | 0.0° |
| C2 | C4 | C11 | N16 | 178.9° | 180.0° |
| C4 | C2 | C1 | H1 | 179.7° | 179.7° |
| C3 | C10 | C11 | C4 | 0.8° | 0.0° |
| C3 | C10 | C11 | C14 | 179.2° | 180.0° |
| C3 | C10 | C11 | N16 | 179.0° | 179.9° |
| C3 | C10 | C14 | N17 | 179.6° | 180.0° |
| C3 | C10 | C14 | N18 | 0.6° | 0.0° |
| C10 | C3 | C1 | H1 | 179.6° | 179.7° |
| C4 | C11 | N16 | C9 | 180.0° | 179.9° |
| C4 | C11 | C10 | N16 | 179.8° | 179.9° |
| C4 | C11 | C10 | C14 | 180.0° | 180.0° |
| C11 | C4 | C2 | H2 | 179.6° | 179.9° |
| C7 | C5 | C12 | H5 | 180.0° | 179.7° |
| C7 | C5 | C12 | C6 | 0.2° | 0.0° |
| C5 | C7 | C13 | H7 | 180.0° | 179.9° |
| C5 | C7 | C13 | C8 | 0.4° | 0.0° |
| C7 | C5 | C12 | N18 | 177.6° | 180.0° |
| C5 | C7 | C13 | S22 | 179.3° | 179.9° |
| C5 | C12 | C6 | C8 | 0.6° | 0.0° |
| C5 | C12 | C6 | N18 | 177.9° | 180.0° |
| C12 | C5 | C7 | C13 | 0.8° | 0.1° |
| C5 | C12 | N18 | C14 | 34.1° | 32.8° |
| C12 | C5 | C7 | H7 | 179.3° | 180.0° |
| C5 | C12 | C6 | H6 | 179.4° | 180.0° |
| C5 | C12 | N18 | H18 | 145.9° | 147.2° |
| C8 | C6 | C12 | H6 | 180.0° | 180.0° |
| C6 | C8 | C13 | C7 | 0.4° | 0.0° |
| C6 | C8 | C13 | H8 | 180.0° | 180.0° |
| C8 | C6 | C12 | N18 | 178.5° | 180.0° |
| C6 | C8 | C13 | S22 | 179.9° | 180.0° |
| C12 | C6 | C8 | C13 | 1.0° | 0.0° |
| C6 | C12 | N18 | C14 | 148.0° | 147.2° |
| C6 | C12 | C5 | H5 | 179.8° | 179.7° |
| C12 | C6 | C8 | H8 | 179.0° | 180.0° |
| C6 | C12 | N18 | H18 | 32.0° | 32.9° |
| C7 | C13 | C8 | S22 | 179.7° | 180.0° |
| C7 | C13 | S22 | C15 | 81.3° | 180.0° |
| C13 | C7 | C5 | H5 | 179.2° | 179.8° |
| C7 | C13 | C8 | H8 | 179.6° | 180.0° |
| C8 | C13 | S22 | C15 | 98.4° | 0.0° |
| C8 | C13 | C7 | H7 | 179.6° | 180.0° |
| C13 | C8 | C6 | H6 | 179.0° | 180.0° |
| N16 | C9 | N17 | H9 | 180.0° | 179.9° |
| C9 | N16 | C11 | C10 | 0.1° | 0.0° |
| N16 | C9 | N17 | C14 | 1.1° | 0.0° |
| C9 | N17 | C14 | C10 | 1.0° | 0.0° |
| N17 | C9 | N16 | C11 | 0.5° | 0.0° |
| C9 | N17 | C14 | N18 | 179.2° | 179.9° |
| C11 | C10 | C14 | N17 | 0.5° | 0.0° |
| C11 | C10 | C14 | N18 | 179.8° | 180.0° |
| C11 | C10 | C3 | H3 | 179.8° | 180.0° |
| C10 | C11 | C4 | H4 | 179.1° | 180.0° |
| C14 | C10 | C11 | N16 | 0.2° | 0.0° |
| C10 | C14 | N18 | C12 | 179.4° | 174.4° |
| C10 | C14 | N17 | N18 | 179.8° | 180.0° |
| C14 | C10 | C3 | H3 | 0.7° | 0.0° |
| C10 | C14 | N18 | H18 | 0.6° | 5.6° |
| N16 | C11 | C4 | H4 | 1.1° | 0.1° |
| C11 | N16 | C9 | H9 | 179.5° | 179.9° |
| C12 | N18 | C14 | N17 | 0.3° | 5.5° |
| C12 | N18 | C14 | H18 | 180.0° | 180.0° |
| N18 | C12 | C5 | H5 | 2.4° | 0.3° |
| N18 | C12 | C6 | H6 | 1.5° | 0.1° |
| C13 | S22 | C15 | F19 | 167.4° | 60.0° |
| C13 | S22 | C15 | F20 | 48.7° | 60.0° |
| C13 | S22 | C15 | F21 | 73.3° | 180.0° |
| S22 | C13 | C7 | H7 | 0.7° | 0.0° |
| S22 | C13 | C8 | H8 | 0.1° | 0.1° |
| C14 | N17 | C9 | H9 | 178.9° | 179.9° |
| N17 | C14 | N18 | H18 | 179.7° | 174.5° |
| F19 | C15 | F20 | F21 | 115.8° | 120.0° |
| F19 | C15 | F20 | S22 | 121.0° | 119.9° |
| F19 | C15 | F21 | S22 | 120.7° | 120.0° |
| F20 | C15 | F21 | S22 | 124.7° | 120.0° |
| H1 | C1 | C2 | H2 | 0.3° | 0.3° |
| H1 | C1 | C3 | H3 | 0.4° | 0.3° |
| H2 | C2 | C4 | H4 | 0.4° | 0.0° |
| H5 | C5 | C7 | H7 | 0.7° | 0.3° |
| H6 | C6 | C8 | H8 | 1.0° | 0.0° |
