STQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C10 | N1 | sing | 1.47Å | 1.49Å | |
| C10 | C5 | sing | 1.51Å | 1.48Å | |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| C7 | C4 | sing | 1.51Å | 1.51Å | |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.08Å | 1.08Å | |
| C2 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | C8 | 112.7° | 108.4° |
| C9 | C10 | N1 | 111.8° | 109.2° |
| C9 | C10 | C5 | 112.9° | 110.6° |
| C9 | C10 | H4 | 106.8° | 109.2° |
| C10 | C9 | H7 | 108.7° | 109.7° |
| C10 | C9 | H8 | 108.7° | 109.7° |
| C9 | C8 | C7 | 111.5° | 108.4° |
| C8 | C9 | H7 | 108.7° | 109.6° |
| C8 | C9 | H8 | 108.7° | 109.7° |
| C9 | C8 | H9 | 108.9° | 109.7° |
| C9 | C8 | H10 | 109.0° | 109.7° |
| N1 | C10 | C5 | 110.4° | 109.3° |
| C10 | N1 | H1 | 109.5° | 111.0° |
| C10 | N1 | H2 | 109.4° | 111.0° |
| N1 | C10 | H4 | 107.2° | 109.3° |
| C10 | C5 | C4 | 122.1° | 122.6° |
| C10 | C5 | C6 | 118.6° | 117.7° |
| C5 | C10 | H4 | 107.3° | 109.3° |
| C8 | C7 | C4 | 112.0° | 110.5° |
| C7 | C8 | H9 | 109.0° | 109.7° |
| C7 | C8 | H10 | 109.0° | 109.7° |
| C8 | C7 | H11 | 108.8° | 109.3° |
| C8 | C7 | H12 | 108.8° | 109.2° |
| C7 | C4 | C5 | 122.4° | 122.6° |
| C7 | C4 | C3 | 117.6° | 117.7° |
| C4 | C7 | H11 | 108.9° | 109.3° |
| C4 | C7 | H12 | 108.8° | 109.3° |
| C4 | C5 | C6 | 119.2° | 119.7° |
| C5 | C4 | C3 | 120.0° | 119.7° |
| C5 | C6 | C1 | 120.9° | 120.6° |
| C5 | C6 | H5 | 119.6° | 119.7° |
| C4 | C3 | C2 | 119.7° | 120.5° |
| C4 | C3 | H13 | 120.2° | 119.7° |
| C6 | C1 | C2 | 119.1° | 119.7° |
| C1 | C6 | H5 | 119.6° | 119.7° |
| C6 | C1 | H6 | 120.5° | 120.2° |
| C3 | C2 | C1 | 121.1° | 119.8° |
| C2 | C3 | H13 | 120.2° | 119.8° |
| C3 | C2 | H14 | 119.4° | 120.1° |
| C2 | C1 | H6 | 120.5° | 120.1° |
| C1 | C2 | H14 | 119.5° | 120.1° |
| H1 | N1 | H2 | 109.5° | 110.9° |
| H7 | C9 | H8 | 109.5° | 109.7° |
| H9 | C8 | H10 | 109.5° | 109.6° |
| H11 | C7 | H12 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | C8 | H7 | 120.5° | 119.7° |
| C10 | C9 | C8 | H8 | 120.5° | 119.8° |
| C9 | C10 | N1 | C5 | 126.6° | 121.1° |
| C9 | C10 | N1 | H4 | 116.8° | 119.4° |
| C9 | C10 | C5 | H4 | 117.5° | 120.2° |
| C10 | C9 | C8 | C7 | 60.6° | 69.9° |
| C9 | C10 | C5 | C4 | 11.6° | 17.5° |
| C9 | C10 | C5 | C6 | 166.8° | 162.5° |
| C9 | C10 | N1 | H1 | 180.0° | 179.0° |
| C9 | C10 | N1 | H2 | 60.0° | 57.2° |
| C10 | C9 | H7 | H8 | 118.5° | 120.6° |
| C10 | C9 | C8 | H9 | 179.1° | 49.8° |
| C10 | C9 | C8 | H10 | 59.7° | 170.3° |
| C8 | C9 | C10 | N1 | 83.3° | 171.4° |
| C8 | C9 | C10 | C5 | 41.9° | 51.0° |
| C9 | C8 | C7 | H9 | 120.3° | 119.8° |
| C9 | C8 | C7 | H10 | 120.3° | 119.8° |
| C9 | C8 | C7 | C4 | 46.0° | 51.1° |
| C8 | C9 | C10 | H4 | 159.6° | 69.2° |
| C8 | C9 | H7 | H8 | 118.5° | 120.5° |
| C9 | C8 | H9 | H10 | 119.1° | 120.6° |
| C9 | C8 | C7 | H11 | 74.4° | 171.4° |
| C9 | C8 | C7 | H12 | 166.3° | 69.2° |
| N1 | C10 | C5 | H4 | 116.6° | 119.5° |
| N1 | C10 | C5 | C4 | 114.4° | 137.8° |
| N1 | C10 | C5 | C6 | 67.2° | 42.2° |
| C10 | N1 | H1 | H2 | 120.0° | 123.9° |
| N1 | C10 | C9 | H7 | 156.2° | 69.0° |
| N1 | C10 | C9 | H8 | 37.2° | 51.6° |
| C10 | C5 | C4 | C7 | 1.1° | 0.4° |
| C10 | C5 | C4 | C6 | 178.4° | 180.0° |
| C10 | C5 | C4 | C3 | 179.1° | 179.7° |
| C10 | C5 | C6 | C1 | 179.3° | 179.8° |
| C5 | C10 | N1 | H1 | 53.4° | 59.9° |
| C5 | C10 | N1 | H2 | 66.6° | 63.9° |
| C10 | C5 | C6 | H5 | 0.7° | 0.2° |
| C5 | C10 | C9 | H7 | 78.6° | 170.7° |
| C5 | C10 | C9 | H8 | 162.4° | 68.7° |
| C8 | C7 | C4 | H11 | 120.4° | 120.3° |
| C8 | C7 | C4 | H12 | 120.4° | 120.2° |
| C8 | C7 | C4 | C5 | 16.3° | 17.6° |
| C8 | C7 | C4 | C3 | 161.7° | 162.5° |
| C7 | C8 | C9 | H7 | 59.9° | 170.4° |
| C7 | C8 | C9 | H8 | 178.9° | 49.9° |
| C7 | C8 | H9 | H10 | 119.1° | 120.5° |
| C8 | C7 | H11 | H12 | 118.8° | 119.4° |
| C7 | C4 | C5 | C3 | 178.0° | 179.9° |
| C7 | C4 | C5 | C6 | 179.5° | 179.6° |
| C7 | C4 | C3 | C2 | 180.0° | 179.7° |
| C4 | C7 | C8 | H9 | 166.3° | 68.7° |
| C4 | C7 | C8 | H10 | 74.3° | 170.9° |
| C4 | C7 | H11 | H12 | 118.8° | 119.5° |
| C7 | C4 | C3 | H13 | 0.0° | 0.4° |
| C4 | C5 | C6 | C1 | 2.3° | 0.2° |
| C5 | C4 | C3 | C2 | 1.9° | 0.2° |
| C4 | C5 | C10 | H4 | 129.0° | 102.7° |
| C4 | C5 | C6 | H5 | 177.8° | 179.9° |
| C5 | C4 | C7 | H11 | 104.0° | 137.9° |
| C5 | C4 | C7 | H12 | 136.7° | 102.6° |
| C5 | C4 | C3 | H13 | 178.1° | 179.8° |
| C6 | C5 | C4 | C3 | 2.5° | 0.3° |
| C5 | C6 | C1 | H5 | 180.0° | 179.9° |
| C5 | C6 | C1 | C2 | 1.4° | 0.0° |
| C6 | C5 | C10 | H4 | 49.4° | 77.3° |
| C5 | C6 | C1 | H6 | 178.6° | 180.0° |
| C4 | C3 | C2 | H13 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 1.0° | 0.0° |
| C3 | C4 | C7 | H11 | 77.9° | 42.3° |
| C3 | C4 | C7 | H12 | 41.3° | 77.3° |
| C4 | C3 | C2 | H14 | 179.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.8° | 0.1° |
| C6 | C1 | C2 | H6 | 180.0° | 180.0° |
| C6 | C1 | C2 | H14 | 179.2° | 180.0° |
| C3 | C2 | C1 | H14 | 180.0° | 179.9° |
| C3 | C2 | C1 | H6 | 179.2° | 179.9° |
| C2 | C1 | C6 | H5 | 178.6° | 179.9° |
| C1 | C2 | C3 | H13 | 179.0° | 180.0° |
| H1 | N1 | C10 | H4 | 63.2° | 59.6° |
| H2 | N1 | C10 | H4 | 176.8° | 176.6° |
| H4 | C10 | C9 | H7 | 39.1° | 50.5° |
| H4 | C10 | C9 | H8 | 79.9° | 171.0° |
| H5 | C6 | C1 | H6 | 1.4° | 0.0° |
| H6 | C1 | C2 | H14 | 0.8° | 0.0° |
| H7 | C9 | C8 | H9 | 60.4° | 69.9° |
| H7 | C9 | C8 | H10 | 179.8° | 50.6° |
| H8 | C9 | C8 | H9 | 58.6° | 169.6° |
| H8 | C9 | C8 | H10 | 60.7° | 69.9° |
| H9 | C8 | C7 | H11 | 45.9° | 51.6° |
| H9 | C8 | C7 | H12 | 73.4° | 171.1° |
| H10 | C8 | C7 | H11 | 165.3° | 68.9° |
| H10 | C8 | C7 | H12 | 46.0° | 50.6° |
| H13 | C3 | C2 | H14 | 1.0° | 0.1° |
