FQV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| SE5 | C4 | sing | 1.96Å | 1.90Å | |
| SE5 | C6 | sing | 1.96Å | 1.92Å | |
| C4 | C3 | sing | 1.47Å | 1.48Å | |
| C6 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C2 | trip | 1.17Å | 1.21Å | |
| C15 | C14 | sing | 1.38Å | 1.37Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.47Å | 1.41Å | |
| C14 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | S10 | sing | 1.76Å | 1.76Å | |
| N12 | S10 | sing | 1.66Å | 1.66Å | |
| O13 | S10 | doub | 1.42Å | 1.45Å | |
| S10 | O11 | doub | 1.42Å | 1.46Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| N12 | H10 | sing | 0.97Å | 1.00Å | |
| N12 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | SE5 | C6 | 98.4° | 101.0° |
| SE5 | C4 | C3 | 109.3° | 109.5° |
| SE5 | C4 | H8 | 109.5° | 109.5° |
| SE5 | C4 | H9 | 109.5° | 109.5° |
| SE5 | C6 | C15 | 122.6° | 120.0° |
| SE5 | C6 | C7 | 117.0° | 120.0° |
| C4 | C3 | C2 | 178.9° | 180.0° |
| C3 | C4 | H8 | 109.5° | 109.4° |
| C3 | C4 | H9 | 109.5° | 109.4° |
| C15 | C6 | C7 | 120.4° | 120.0° |
| C6 | C15 | C14 | 119.9° | 120.0° |
| C6 | C15 | H4 | 120.0° | 120.0° |
| C6 | C7 | C8 | 119.6° | 120.0° |
| C6 | C7 | H3 | 120.2° | 120.0° |
| C3 | C2 | C1 | 176.5° | 179.9° |
| C15 | C14 | C9 | 120.2° | 120.0° |
| C15 | C14 | H2 | 119.9° | 120.0° |
| C14 | C15 | H4 | 120.0° | 120.0° |
| C7 | C8 | C9 | 120.9° | 120.0° |
| C7 | C8 | H1 | 119.6° | 120.0° |
| C8 | C7 | H3 | 120.2° | 120.0° |
| C2 | C1 | H5 | 109.5° | 109.5° |
| C2 | C1 | H6 | 109.4° | 109.5° |
| C2 | C1 | H7 | 109.5° | 109.5° |
| C14 | C9 | C8 | 119.0° | 120.0° |
| C14 | C9 | S10 | 122.0° | 120.0° |
| C9 | C14 | H2 | 119.9° | 120.0° |
| C8 | C9 | S10 | 119.0° | 120.0° |
| C9 | C8 | H1 | 119.5° | 120.0° |
| C9 | S10 | N12 | 105.1° | 107.2° |
| C9 | S10 | O13 | 106.6° | 106.4° |
| C9 | S10 | O11 | 106.2° | 106.4° |
| N12 | S10 | O13 | 110.1° | 106.4° |
| N12 | S10 | O11 | 110.6° | 106.4° |
| S10 | N12 | H10 | 109.5° | 120.0° |
| S10 | N12 | H11 | 109.5° | 120.0° |
| O13 | S10 | O11 | 117.4° | 123.1° |
| H5 | C1 | H6 | 109.5° | 109.4° |
| H5 | C1 | H7 | 109.5° | 109.5° |
| H6 | C1 | H7 | 109.5° | 109.4° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| H10 | N12 | H11 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| SE5 | C4 | C3 | H8 | 120.0° | 120.0° |
| SE5 | C4 | C3 | H9 | 119.9° | 120.0° |
| C4 | SE5 | C6 | C15 | 30.4° | 90.0° |
| C4 | SE5 | C6 | C7 | 150.7° | 90.2° |
| SE5 | C4 | C3 | C2 | 146.1° | 86.2° |
| SE5 | C4 | H8 | H9 | 120.1° | 120.0° |
| C6 | SE5 | C4 | C3 | 114.4° | 180.0° |
| SE5 | C6 | C15 | C7 | 178.8° | 179.7° |
| SE5 | C6 | C15 | C14 | 178.4° | 180.0° |
| SE5 | C6 | C7 | C8 | 178.5° | 179.8° |
| SE5 | C6 | C7 | H3 | 1.5° | 0.2° |
| SE5 | C6 | C15 | H4 | 1.7° | 0.5° |
| C6 | SE5 | C4 | H8 | 5.5° | 60.0° |
| C6 | SE5 | C4 | H9 | 125.6° | 60.0° |
| C4 | C3 | C2 | C1 | 61.8° | 139.6° |
| C3 | C4 | H8 | H9 | 120.1° | 119.9° |
| C6 | C15 | C14 | H4 | 180.0° | 179.4° |
| C15 | C6 | C7 | C8 | 0.3° | 0.0° |
| C6 | C15 | C14 | C9 | 0.5° | 0.6° |
| C6 | C15 | C14 | H2 | 179.5° | 180.0° |
| C15 | C6 | C7 | H3 | 179.6° | 180.0° |
| C7 | C6 | C15 | C14 | 0.5° | 0.3° |
| C6 | C7 | C8 | H3 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.7° | 0.0° |
| C6 | C7 | C8 | H1 | 179.3° | 179.7° |
| C7 | C6 | C15 | H4 | 179.5° | 179.7° |
| C3 | C2 | C1 | H5 | 180.0° | 113.5° |
| C3 | C2 | C1 | H6 | 60.0° | 126.6° |
| C3 | C2 | C1 | H7 | 60.0° | 6.6° |
| C2 | C3 | C4 | H8 | 93.9° | 153.8° |
| C2 | C3 | C4 | H9 | 26.1° | 33.8° |
| C15 | C14 | C9 | H2 | 180.0° | 179.4° |
| C15 | C14 | C9 | C8 | 1.5° | 0.6° |
| C15 | C14 | C9 | S10 | 179.9° | 179.4° |
| C7 | C8 | C9 | C14 | 1.6° | 0.3° |
| C7 | C8 | C9 | H1 | 180.0° | 179.7° |
| C7 | C8 | C9 | S10 | 179.9° | 179.7° |
| C2 | C1 | H5 | H6 | 120.0° | 120.0° |
| C2 | C1 | H5 | H7 | 120.0° | 120.1° |
| C2 | C1 | H6 | H7 | 120.0° | 120.1° |
| C14 | C9 | C8 | S10 | 178.5° | 180.0° |
| C14 | C9 | S10 | N12 | 46.6° | 90.0° |
| C14 | C9 | S10 | O13 | 163.5° | 156.4° |
| C14 | C9 | S10 | O11 | 70.7° | 23.5° |
| C14 | C9 | C8 | H1 | 178.4° | 180.0° |
| C9 | C14 | C15 | H4 | 179.6° | 180.0° |
| C8 | C9 | S10 | N12 | 135.0° | 90.0° |
| C8 | C9 | S10 | O13 | 18.1° | 23.6° |
| C8 | C9 | S10 | O11 | 107.7° | 156.4° |
| C8 | C9 | C14 | H2 | 178.5° | 180.0° |
| C9 | C8 | C7 | H3 | 179.3° | 180.0° |
| C9 | S10 | N12 | O13 | 114.5° | 113.6° |
| C9 | S10 | N12 | O11 | 114.2° | 113.5° |
| C9 | S10 | O13 | O11 | 118.8° | 122.9° |
| S10 | C9 | C8 | H1 | 0.0° | 0.0° |
| S10 | C9 | C14 | H2 | 0.1° | 0.0° |
| C9 | S10 | N12 | H10 | 180.0° | 150.0° |
| C9 | S10 | N12 | H11 | 60.0° | 30.0° |
| N12 | S10 | O13 | O11 | 127.7° | 123.0° |
| S10 | N12 | H10 | H11 | 120.0° | 180.0° |
| O13 | S10 | N12 | H10 | 65.6° | 96.5° |
| O13 | S10 | N12 | H11 | 54.4° | 83.5° |
| O11 | S10 | N12 | H10 | 65.8° | 36.5° |
| O11 | S10 | N12 | H11 | 174.2° | 143.5° |
| H1 | C8 | C7 | H3 | 0.7° | 0.3° |
| H2 | C14 | C15 | H4 | 0.4° | 0.6° |
| H5 | C1 | H6 | H7 | 120.0° | 119.9° |
