S9V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C8 | sing | 1.74Å | 1.72Å | |
| C8 | C9 | doub | 1.38Å | 1.37Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.42Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C5 | doub | 1.39Å | 1.42Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.43Å | Aromatic |
| C5 | N1 | sing | 1.40Å | 1.40Å | |
| N1 | C4 | sing | 1.35Å | 1.40Å | |
| C4 | O1 | doub | 1.22Å | 1.28Å | |
| C4 | N | sing | 1.35Å | 1.37Å | |
| C | C1 | sing | 1.53Å | 1.53Å | |
| N | C1 | sing | 1.46Å | 1.47Å | |
| C1 | C3 | sing | 1.53Å | 1.57Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | O | sing | 1.43Å | 1.41Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 0.97Å | 1.00Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| O | H9 | sing | 0.97Å | 0.95Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C8 | C9 | 117.9° | 119.9° |
| CL | C8 | C7 | 118.6° | 119.9° |
| C9 | C8 | C7 | 123.6° | 120.1° |
| C8 | C9 | C10 | 118.5° | 120.1° |
| C8 | C9 | H15 | 120.7° | 120.0° |
| C8 | C7 | C6 | 118.5° | 120.1° |
| C8 | C7 | H3 | 120.7° | 120.0° |
| C9 | C10 | C5 | 120.4° | 119.9° |
| C9 | C10 | H4 | 119.8° | 120.1° |
| C10 | C9 | H15 | 120.7° | 119.9° |
| C7 | C6 | C5 | 118.1° | 119.9° |
| C7 | C6 | H2 | 121.0° | 120.1° |
| C6 | C7 | H3 | 120.7° | 119.9° |
| C10 | C5 | C6 | 120.9° | 119.9° |
| C10 | C5 | N1 | 116.8° | 120.0° |
| C5 | C10 | H4 | 119.8° | 120.1° |
| C6 | C5 | N1 | 122.3° | 120.0° |
| C5 | C6 | H2 | 121.0° | 120.0° |
| C5 | N1 | C4 | 125.2° | 120.0° |
| C5 | N1 | H1 | 117.4° | 120.1° |
| N1 | C4 | O1 | 126.3° | 120.0° |
| N1 | C4 | N | 109.7° | 120.0° |
| C4 | N1 | H1 | 117.4° | 119.9° |
| O1 | C4 | N | 123.9° | 120.0° |
| C4 | N | C1 | 120.6° | 120.0° |
| C4 | N | H5 | 119.7° | 119.9° |
| C | C1 | N | 113.5° | 109.5° |
| C | C1 | C3 | 111.7° | 109.5° |
| C | C1 | C2 | 109.3° | 109.5° |
| C1 | C | H6 | 109.5° | 109.5° |
| C1 | C | H7 | 109.4° | 109.4° |
| C1 | C | H8 | 109.5° | 109.5° |
| N | C1 | C3 | 106.4° | 109.5° |
| N | C1 | C2 | 109.1° | 109.5° |
| C1 | N | H5 | 119.7° | 120.1° |
| C3 | C1 | C2 | 106.6° | 109.5° |
| C1 | C3 | O | 107.1° | 109.4° |
| C1 | C3 | H13 | 110.1° | 109.4° |
| C1 | C3 | H14 | 110.1° | 109.4° |
| C1 | C2 | H10 | 109.5° | 109.5° |
| C1 | C2 | H11 | 109.5° | 109.5° |
| C1 | C2 | H12 | 109.5° | 109.5° |
| C3 | O | H9 | 109.5° | 114.0° |
| O | C3 | H13 | 110.1° | 109.5° |
| O | C3 | H14 | 110.1° | 109.5° |
| H6 | C | H7 | 109.5° | 109.5° |
| H6 | C | H8 | 109.5° | 109.5° |
| H7 | C | H8 | 109.5° | 109.5° |
| H10 | C2 | H11 | 109.5° | 109.5° |
| H10 | C2 | H12 | 109.4° | 109.5° |
| H11 | C2 | H12 | 109.4° | 109.5° |
| H13 | C3 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C8 | C9 | C7 | 179.5° | 179.7° |
| CL | C8 | C9 | C10 | 178.0° | 180.0° |
| CL | C8 | C7 | C6 | 178.2° | 179.8° |
| CL | C8 | C7 | H3 | 1.8° | 0.3° |
| CL | C8 | C9 | H15 | 2.0° | 0.2° |
| C8 | C9 | C10 | H15 | 180.0° | 179.7° |
| C9 | C8 | C7 | C6 | 1.3° | 0.1° |
| C8 | C9 | C10 | C5 | 0.4° | 0.6° |
| C9 | C8 | C7 | H3 | 178.7° | 180.0° |
| C8 | C9 | C10 | H4 | 179.6° | 179.7° |
| C7 | C8 | C9 | C10 | 1.5° | 0.3° |
| C8 | C7 | C6 | H3 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 0.0° | 0.1° |
| C8 | C7 | C6 | H2 | 180.0° | 179.9° |
| C7 | C8 | C9 | H15 | 178.5° | 180.0° |
| C9 | C10 | C5 | H4 | 180.0° | 179.7° |
| C9 | C10 | C5 | C6 | 0.9° | 0.6° |
| C9 | C10 | C5 | N1 | 179.2° | 179.7° |
| C7 | C6 | C5 | C10 | 1.1° | 0.3° |
| C7 | C6 | C5 | H2 | 180.0° | 179.9° |
| C7 | C6 | C5 | N1 | 179.3° | 180.0° |
| C10 | C5 | C6 | N1 | 178.2° | 179.7° |
| C10 | C5 | N1 | C4 | 147.4° | 33.5° |
| C10 | C5 | N1 | H1 | 32.6° | 146.8° |
| C10 | C5 | C6 | H2 | 178.9° | 179.8° |
| C5 | C10 | C9 | H15 | 179.6° | 179.7° |
| C6 | C5 | N1 | C4 | 34.4° | 146.8° |
| C6 | C5 | N1 | H1 | 145.7° | 32.9° |
| C5 | C6 | C7 | H3 | 180.0° | 180.0° |
| C6 | C5 | C10 | H4 | 179.1° | 179.7° |
| C5 | N1 | C4 | H1 | 180.0° | 179.7° |
| C5 | N1 | C4 | O1 | 2.3° | 5.1° |
| C5 | N1 | C4 | N | 178.7° | 174.8° |
| N1 | C5 | C6 | H2 | 0.7° | 0.1° |
| N1 | C5 | C10 | H4 | 0.8° | 0.0° |
| N1 | C4 | O1 | N | 178.9° | 179.9° |
| N1 | C4 | N | C1 | 91.5° | 180.0° |
| N1 | C4 | N | H5 | 88.5° | 0.1° |
| O1 | C4 | N | C1 | 89.5° | 0.1° |
| O1 | C4 | N1 | H1 | 177.6° | 174.7° |
| O1 | C4 | N | H5 | 90.5° | 180.0° |
| C4 | N | C1 | C | 56.5° | 59.9° |
| C4 | N | C1 | H5 | 180.0° | 179.9° |
| C4 | N | C1 | C3 | 66.6° | 180.0° |
| C4 | N | C1 | C2 | 178.7° | 60.1° |
| N | C4 | N1 | H1 | 1.3° | 5.4° |
| C | C1 | N | C3 | 123.2° | 120.0° |
| C | C1 | N | C2 | 122.2° | 120.0° |
| C | C1 | C3 | C2 | 119.4° | 120.0° |
| C | C1 | C3 | O | 158.1° | 60.0° |
| C | C1 | N | H5 | 123.5° | 120.0° |
| C1 | C | H6 | H7 | 120.0° | 120.0° |
| C1 | C | H6 | H8 | 120.0° | 120.0° |
| C1 | C | H7 | H8 | 120.0° | 120.0° |
| C | C1 | C2 | H10 | 180.0° | 180.0° |
| C | C1 | C2 | H11 | 60.0° | 60.0° |
| C | C1 | C2 | H12 | 60.0° | 60.0° |
| C | C1 | C3 | H13 | 38.5° | 60.0° |
| C | C1 | C3 | H14 | 82.2° | 180.0° |
| N | C1 | C3 | C2 | 116.4° | 120.0° |
| N | C1 | C3 | O | 33.9° | 180.0° |
| N | C1 | C | H6 | 180.0° | 60.0° |
| N | C1 | C | H7 | 60.0° | 180.0° |
| N | C1 | C | H8 | 60.0° | 60.0° |
| N | C1 | C2 | H10 | 55.4° | 60.0° |
| N | C1 | C2 | H11 | 175.4° | 180.0° |
| N | C1 | C2 | H12 | 64.6° | 60.0° |
| N | C1 | C3 | H13 | 85.7° | 60.0° |
| N | C1 | C3 | H14 | 153.5° | 60.0° |
| C1 | C3 | O | H13 | 119.6° | 120.0° |
| C1 | C3 | O | H14 | 119.6° | 119.9° |
| C3 | C1 | N | H5 | 113.4° | 0.1° |
| C3 | C1 | C | H6 | 59.8° | 180.0° |
| C3 | C1 | C | H7 | 60.2° | 60.0° |
| C3 | C1 | C | H8 | 179.8° | 60.0° |
| C1 | C3 | O | H9 | 66.5° | 180.0° |
| C3 | C1 | C2 | H10 | 59.2° | 60.0° |
| C3 | C1 | C2 | H11 | 60.9° | 60.0° |
| C3 | C1 | C2 | H12 | 179.2° | 180.0° |
| C1 | C3 | H13 | H14 | 121.1° | 119.9° |
| C2 | C1 | C3 | O | 82.5° | 60.0° |
| C2 | C1 | N | H5 | 1.3° | 120.0° |
| C2 | C1 | C | H6 | 57.9° | 60.0° |
| C2 | C1 | C | H7 | 177.9° | 60.0° |
| C2 | C1 | C | H8 | 62.1° | 180.0° |
| C1 | C2 | H10 | H11 | 120.0° | 120.0° |
| C1 | C2 | H10 | H12 | 120.0° | 120.0° |
| C1 | C2 | H11 | H12 | 120.0° | 120.0° |
| C2 | C1 | C3 | H13 | 157.9° | 180.0° |
| C2 | C1 | C3 | H14 | 37.1° | 60.0° |
| O | C3 | H13 | H14 | 121.1° | 120.1° |
| H2 | C6 | C7 | H3 | 0.0° | 0.1° |
| H4 | C10 | C9 | H15 | 0.4° | 0.0° |
| H6 | C | H7 | H8 | 120.0° | 120.0° |
| H9 | O | C3 | H13 | 53.1° | 60.1° |
| H9 | O | C3 | H14 | 173.9° | 60.0° |
| H10 | C2 | H11 | H12 | 120.0° | 120.0° |
