SE5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C1 | doub | 1.22Å | 1.25Å | |
| C1 | O1 | sing | 1.35Å | 1.25Å | |
| C1 | C2 | sing | 1.46Å | 1.49Å | |
| N1 | C2 | sing | 1.38Å | 1.34Å | Aromatic |
| N1 | C12 | sing | 1.35Å | 1.35Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C4 | doub | 1.35Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| CL1 | C11 | sing | 1.74Å | 1.79Å | |
| C13 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | O1 | 121.4° | 120.0° |
| O2 | C1 | C2 | 118.7° | 120.0° |
| O1 | C1 | C2 | 119.9° | 120.0° |
| C1 | O1 | H1 | 109.5° | 117.0° |
| C1 | C2 | N1 | 125.0° | 126.3° |
| C1 | C2 | C3 | 126.8° | 126.2° |
| C2 | N1 | C12 | 109.6° | 108.8° |
| N1 | C2 | C3 | 108.2° | 107.4° |
| C2 | N1 | H12 | 125.2° | 125.6° |
| N1 | C12 | C4 | 108.2° | 109.0° |
| N1 | C12 | H10 | 125.9° | 125.5° |
| C12 | N1 | H12 | 125.3° | 125.6° |
| C2 | C3 | C4 | 107.2° | 107.0° |
| C2 | C3 | H2 | 126.4° | 126.5° |
| C12 | C4 | C3 | 106.9° | 107.8° |
| C12 | C4 | C5 | 125.7° | 126.1° |
| C4 | C12 | H10 | 125.9° | 125.5° |
| C3 | C4 | C5 | 127.4° | 126.1° |
| C4 | C3 | H2 | 126.4° | 126.5° |
| C4 | C5 | C6 | 111.0° | 109.5° |
| C4 | C5 | H3 | 109.1° | 109.5° |
| C4 | C5 | H4 | 109.1° | 109.5° |
| C5 | C6 | C7 | 110.5° | 109.5° |
| C6 | C5 | H3 | 109.1° | 109.4° |
| C6 | C5 | H4 | 109.1° | 109.4° |
| C5 | C6 | H5 | 109.2° | 109.5° |
| C5 | C6 | H6 | 109.2° | 109.5° |
| CL1 | C11 | C13 | 119.9° | 120.0° |
| CL1 | C11 | C10 | 120.0° | 120.0° |
| C11 | C13 | C8 | 120.0° | 120.0° |
| C13 | C11 | C10 | 120.1° | 120.0° |
| C11 | C13 | H11 | 120.0° | 120.0° |
| C13 | C8 | C7 | 120.1° | 120.0° |
| C13 | C8 | H7 | 120.0° | 120.0° |
| C8 | C13 | H11 | 120.0° | 120.0° |
| C11 | C10 | C9 | 119.8° | 120.0° |
| C11 | C10 | H9 | 120.1° | 120.0° |
| C8 | C7 | C9 | 119.9° | 120.1° |
| C8 | C7 | C6 | 120.3° | 119.9° |
| C7 | C8 | H7 | 120.0° | 120.0° |
| C10 | C9 | C7 | 120.1° | 120.0° |
| C10 | C9 | H8 | 120.0° | 120.0° |
| C9 | C10 | H9 | 120.1° | 120.0° |
| C9 | C7 | C6 | 119.8° | 120.0° |
| C7 | C9 | H8 | 119.9° | 120.0° |
| C7 | C6 | H5 | 109.2° | 109.4° |
| C7 | C6 | H6 | 109.2° | 109.5° |
| H3 | C5 | H4 | 109.4° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | O1 | C2 | 179.7° | 180.0° |
| O2 | C1 | C2 | N1 | 9.9° | 179.7° |
| O2 | C1 | C2 | C3 | 169.9° | 0.0° |
| O2 | C1 | O1 | H1 | 0.0° | 0.0° |
| O1 | C1 | C2 | N1 | 170.4° | 0.3° |
| O1 | C1 | C2 | C3 | 9.8° | 179.9° |
| C1 | C2 | N1 | C3 | 179.8° | 179.7° |
| C1 | C2 | N1 | C12 | 179.8° | 179.9° |
| C1 | C2 | C3 | C4 | 179.9° | 180.0° |
| C2 | C1 | O1 | H1 | 179.7° | 180.0° |
| C1 | C2 | C3 | H2 | 0.1° | 0.1° |
| C1 | C2 | N1 | H12 | 0.2° | 0.0° |
| C2 | N1 | C12 | H12 | 180.0° | 179.9° |
| C2 | N1 | C12 | C4 | 0.0° | 0.4° |
| N1 | C2 | C3 | C4 | 0.0° | 0.3° |
| N1 | C2 | C3 | H2 | 179.9° | 179.8° |
| C2 | N1 | C12 | H10 | 180.0° | 179.8° |
| C12 | N1 | C2 | C3 | 0.0° | 0.5° |
| N1 | C12 | C4 | H10 | 180.0° | 179.8° |
| N1 | C12 | C4 | C3 | 0.0° | 0.2° |
| N1 | C12 | C4 | C5 | 180.0° | 179.7° |
| C2 | C3 | C4 | C12 | 0.0° | 0.1° |
| C2 | C3 | C4 | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 180.0° | 180.0° |
| C3 | C2 | N1 | H12 | 180.0° | 179.7° |
| C12 | C4 | C3 | C5 | 180.0° | 180.0° |
| C12 | C4 | C5 | C6 | 137.2° | 90.0° |
| C12 | C4 | C3 | H2 | 179.9° | 179.9° |
| C12 | C4 | C5 | H3 | 16.9° | 30.0° |
| C12 | C4 | C5 | H4 | 102.6° | 150.1° |
| C4 | C12 | N1 | H12 | 179.9° | 179.7° |
| C3 | C4 | C5 | C6 | 42.8° | 90.0° |
| C3 | C4 | C5 | H3 | 163.0° | 150.0° |
| C3 | C4 | C5 | H4 | 77.4° | 29.9° |
| C3 | C4 | C12 | H10 | 180.0° | 180.0° |
| C4 | C5 | C6 | H3 | 120.3° | 120.0° |
| C4 | C5 | C6 | H4 | 120.2° | 120.0° |
| C4 | C5 | C6 | C7 | 57.1° | 180.0° |
| C5 | C4 | C3 | H2 | 0.0° | 0.1° |
| C4 | C5 | H3 | H4 | 119.3° | 120.1° |
| C4 | C5 | C6 | H5 | 177.2° | 60.0° |
| C4 | C5 | C6 | H6 | 63.1° | 60.0° |
| C5 | C4 | C12 | H10 | 0.0° | 0.0° |
| C5 | C6 | C7 | C8 | 48.1° | 89.7° |
| C5 | C6 | C7 | C9 | 131.9° | 90.0° |
| C5 | C6 | C7 | H5 | 120.1° | 120.0° |
| C5 | C6 | C7 | H6 | 120.2° | 120.0° |
| C6 | C5 | H3 | H4 | 119.3° | 119.9° |
| C5 | C6 | H5 | H6 | 119.6° | 120.0° |
| CL1 | C11 | C13 | C10 | 179.9° | 179.5° |
| CL1 | C11 | C13 | C8 | 179.9° | 179.8° |
| CL1 | C11 | C10 | C9 | 179.9° | 180.0° |
| CL1 | C11 | C10 | H9 | 0.0° | 0.0° |
| CL1 | C11 | C13 | H11 | 0.1° | 0.5° |
| C11 | C13 | C8 | H11 | 180.0° | 179.3° |
| C11 | C13 | C8 | C7 | 0.1° | 0.4° |
| C13 | C11 | C10 | C9 | 0.0° | 0.5° |
| C11 | C13 | C8 | H7 | 179.9° | 179.5° |
| C13 | C11 | C10 | H9 | 179.9° | 179.4° |
| C8 | C13 | C11 | C10 | 0.1° | 0.7° |
| C13 | C8 | C7 | H7 | 180.0° | 179.9° |
| C13 | C8 | C7 | C9 | 0.1° | 0.1° |
| C13 | C8 | C7 | C6 | 180.0° | 179.7° |
| C11 | C10 | C9 | H9 | 180.0° | 180.0° |
| C11 | C10 | C9 | C7 | 0.1° | 0.0° |
| C11 | C10 | C9 | H8 | 180.0° | 180.0° |
| C10 | C11 | C13 | H11 | 180.0° | 180.0° |
| C8 | C7 | C9 | C10 | 0.1° | 0.3° |
| C8 | C7 | C9 | C6 | 180.0° | 179.7° |
| C8 | C7 | C6 | H5 | 72.0° | 150.3° |
| C8 | C7 | C6 | H6 | 168.3° | 30.3° |
| C8 | C7 | C9 | H8 | 179.9° | 179.7° |
| C7 | C8 | C13 | H11 | 179.9° | 179.7° |
| C10 | C9 | C7 | H8 | 180.0° | 180.0° |
| C10 | C9 | C7 | C6 | 180.0° | 179.9° |
| C9 | C7 | C6 | H5 | 108.0° | 30.1° |
| C9 | C7 | C6 | H6 | 11.7° | 150.0° |
| C9 | C7 | C8 | H7 | 179.9° | 180.0° |
| C7 | C9 | C10 | H9 | 179.9° | 179.9° |
| C7 | C6 | C5 | H3 | 63.2° | 60.0° |
| C7 | C6 | C5 | H4 | 177.3° | 60.0° |
| C7 | C6 | H5 | H6 | 119.5° | 120.0° |
| C6 | C7 | C8 | H7 | 0.0° | 0.3° |
| C6 | C7 | C9 | H8 | 0.0° | 0.1° |
| H3 | C5 | C6 | H5 | 57.0° | 180.0° |
| H3 | C5 | C6 | H6 | 176.7° | 60.0° |
| H4 | C5 | C6 | H5 | 62.5° | 60.0° |
| H4 | C5 | C6 | H6 | 57.2° | 180.0° |
| H7 | C8 | C13 | H11 | 0.1° | 0.2° |
| H8 | C9 | C10 | H9 | 0.0° | 0.1° |
| H10 | C12 | N1 | H12 | 0.1° | 0.1° |
