8HP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C2 | sing | 1.74Å | 1.72Å | |
| C25 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C6 | N7 | sing | 1.46Å | 1.45Å | |
| O9 | C8 | doub | 1.22Å | 1.22Å | |
| N7 | C8 | sing | 1.34Å | 1.37Å | |
| N7 | C23 | sing | 1.39Å | 1.37Å | |
| C8 | N10 | sing | 1.34Å | 1.39Å | |
| S22 | C23 | sing | 1.76Å | 1.72Å | Aromatic |
| S22 | C21 | sing | 1.76Å | 1.72Å | Aromatic |
| C23 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| N10 | N11 | sing | 1.40Å | 1.34Å | Aromatic |
| N10 | C14 | sing | 1.37Å | 1.36Å | Aromatic |
| N11 | C12 | doub | 1.31Å | 1.34Å | Aromatic |
| C15 | C14 | sing | 1.48Å | 1.38Å | |
| C15 | C16 | sing | 1.46Å | 1.42Å | Aromatic |
| C14 | N13 | doub | 1.32Å | 1.32Å | Aromatic |
| C21 | C16 | doub | 1.34Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.52Å | 1.48Å | |
| C12 | N13 | sing | 1.33Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.52Å | 1.48Å | |
| C20 | C19 | sing | 1.53Å | 1.51Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| C25 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C2 | C25 | 120.6° | 120.0° |
| CL1 | C2 | C3 | 119.5° | 120.0° |
| C2 | C25 | C24 | 120.0° | 119.9° |
| C25 | C2 | C3 | 119.9° | 120.0° |
| C2 | C25 | H10 | 120.0° | 120.0° |
| C25 | C24 | C5 | 120.6° | 120.0° |
| C25 | C24 | H8 | 119.7° | 120.0° |
| C24 | C25 | H10 | 120.0° | 120.0° |
| C2 | C3 | C4 | 119.6° | 119.9° |
| C2 | C3 | H9 | 120.2° | 120.1° |
| C24 | C5 | C4 | 118.8° | 120.0° |
| C24 | C5 | C6 | 120.9° | 120.0° |
| C5 | C24 | H8 | 119.7° | 120.0° |
| C3 | C4 | C5 | 121.0° | 120.0° |
| C3 | C4 | H1 | 119.5° | 120.0° |
| C4 | C3 | H9 | 120.2° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.0° |
| C5 | C4 | H1 | 119.5° | 120.0° |
| C5 | C6 | N7 | 111.0° | 109.5° |
| C5 | C6 | H2 | 109.1° | 109.5° |
| C5 | C6 | H3 | 109.1° | 109.4° |
| C6 | N7 | C8 | 119.3° | 119.2° |
| C6 | N7 | C23 | 122.5° | 119.2° |
| N7 | C6 | H2 | 109.1° | 109.5° |
| N7 | C6 | H3 | 109.1° | 109.4° |
| O9 | C8 | N7 | 126.3° | 119.0° |
| O9 | C8 | N10 | 118.2° | 119.1° |
| C8 | N7 | C23 | 118.2° | 121.5° |
| N7 | C8 | N10 | 115.5° | 121.9° |
| N7 | C23 | S22 | 122.2° | 130.8° |
| N7 | C23 | C15 | 126.1° | 119.4° |
| C8 | N10 | N11 | 123.8° | 133.4° |
| C8 | N10 | C14 | 126.7° | 120.6° |
| C23 | S22 | C21 | 90.8° | 92.4° |
| S22 | C23 | C15 | 111.7° | 109.8° |
| S22 | C21 | C16 | 113.6° | 111.0° |
| S22 | C21 | C20 | 122.2° | 124.5° |
| C23 | C15 | C14 | 115.9° | 117.5° |
| C23 | C15 | C16 | 113.7° | 113.0° |
| N11 | N10 | C14 | 109.4° | 106.0° |
| N10 | N11 | C12 | 102.4° | 107.0° |
| N10 | C14 | C15 | 117.6° | 119.0° |
| N10 | C14 | N13 | 111.2° | 107.9° |
| N11 | C12 | N13 | 115.2° | 109.6° |
| N11 | C12 | H11 | 122.4° | 125.2° |
| C14 | C15 | C16 | 130.3° | 129.5° |
| C15 | C14 | N13 | 131.2° | 133.1° |
| C15 | C16 | C21 | 110.2° | 113.8° |
| C15 | C16 | C17 | 127.0° | 122.8° |
| C14 | N13 | C12 | 101.8° | 109.5° |
| C16 | C21 | C20 | 124.2° | 124.4° |
| C21 | C16 | C17 | 122.9° | 123.3° |
| C21 | C20 | C19 | 109.8° | 108.8° |
| C21 | C20 | H6 | 109.4° | 109.6° |
| C21 | C20 | H7 | 109.4° | 109.7° |
| N13 | C12 | H11 | 122.4° | 125.2° |
| C16 | C17 | C18 | 111.9° | 108.8° |
| C16 | C17 | H4 | 108.9° | 109.6° |
| C16 | C17 | H5 | 108.8° | 109.6° |
| C20 | C19 | C18 | 112.4° | 109.0° |
| C19 | C20 | H6 | 109.4° | 109.6° |
| C19 | C20 | H7 | 109.4° | 109.6° |
| C20 | C19 | H14 | 108.8° | 109.6° |
| C20 | C19 | H15 | 108.7° | 109.6° |
| C17 | C18 | C19 | 111.8° | 109.1° |
| C18 | C17 | H4 | 108.9° | 109.5° |
| C18 | C17 | H5 | 108.9° | 109.5° |
| C17 | C18 | H12 | 108.9° | 109.5° |
| C17 | C18 | H13 | 108.9° | 109.5° |
| C19 | C18 | H12 | 108.9° | 109.5° |
| C19 | C18 | H13 | 108.9° | 109.6° |
| C18 | C19 | H14 | 108.7° | 109.5° |
| C18 | C19 | H15 | 108.7° | 109.5° |
| H2 | C6 | H3 | 109.5° | 109.5° |
| H4 | C17 | H5 | 109.5° | 109.7° |
| H6 | C20 | H7 | 109.4° | 109.6° |
| H12 | C18 | H13 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C2 | C25 | C3 | 179.6° | 179.8° |
| CL1 | C2 | C25 | C24 | 179.6° | 180.0° |
| CL1 | C2 | C3 | C4 | 179.6° | 179.7° |
| CL1 | C2 | C3 | H9 | 0.4° | 0.3° |
| CL1 | C2 | C25 | H10 | 0.5° | 0.3° |
| C2 | C25 | C24 | H10 | 180.0° | 179.7° |
| C2 | C25 | C24 | C5 | 0.1° | 0.3° |
| C25 | C2 | C3 | C4 | 0.0° | 0.0° |
| C2 | C25 | C24 | H8 | 180.0° | 179.7° |
| C25 | C2 | C3 | H9 | 180.0° | 179.9° |
| C24 | C25 | C2 | C3 | 0.0° | 0.3° |
| C25 | C24 | C5 | H8 | 180.0° | 180.0° |
| C25 | C24 | C5 | C4 | 0.1° | 0.0° |
| C25 | C24 | C5 | C6 | 179.8° | 180.0° |
| C2 | C3 | C4 | H9 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.3° |
| C2 | C3 | C4 | H1 | 179.9° | 180.0° |
| C3 | C2 | C25 | H10 | 180.0° | 180.0° |
| C24 | C5 | C4 | C3 | 0.1° | 0.3° |
| C24 | C5 | C4 | C6 | 180.0° | 180.0° |
| C24 | C5 | C6 | N7 | 134.3° | 90.0° |
| C24 | C5 | C4 | H1 | 179.8° | 179.9° |
| C24 | C5 | C6 | H2 | 105.5° | 30.0° |
| C24 | C5 | C6 | H3 | 14.1° | 150.0° |
| C5 | C24 | C25 | H10 | 180.0° | 180.0° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 179.8° | 179.7° |
| C4 | C5 | C6 | N7 | 45.7° | 90.0° |
| C4 | C5 | C6 | H2 | 74.5° | 149.9° |
| C4 | C5 | C6 | H3 | 165.9° | 30.0° |
| C4 | C5 | C24 | H8 | 179.9° | 180.0° |
| C5 | C4 | C3 | H9 | 179.9° | 179.7° |
| C5 | C6 | N7 | H2 | 120.2° | 120.0° |
| C5 | C6 | N7 | H3 | 120.2° | 119.9° |
| C5 | C6 | N7 | C8 | 106.3° | 90.0° |
| C5 | C6 | N7 | C23 | 74.0° | 90.0° |
| C6 | C5 | C4 | H1 | 0.2° | 0.1° |
| C5 | C6 | H2 | H3 | 119.3° | 120.0° |
| C6 | C5 | C24 | H8 | 0.1° | 0.0° |
| C6 | N7 | C8 | O9 | 0.4° | 0.3° |
| C6 | N7 | C8 | C23 | 179.7° | 179.9° |
| C6 | N7 | C8 | N10 | 179.9° | 180.0° |
| C6 | N7 | C23 | S22 | 0.1° | 0.0° |
| C6 | N7 | C23 | C15 | 180.0° | 180.0° |
| N7 | C6 | H2 | H3 | 119.3° | 120.0° |
| O9 | C8 | N7 | N10 | 179.7° | 179.7° |
| O9 | C8 | N7 | C23 | 179.3° | 179.6° |
| O9 | C8 | N10 | N11 | 0.2° | 0.3° |
| O9 | C8 | N10 | C14 | 179.3° | 179.7° |
| C8 | N7 | C23 | S22 | 179.7° | 179.9° |
| C8 | N7 | C23 | C15 | 0.4° | 0.0° |
| N7 | C8 | N10 | N11 | 179.9° | 180.0° |
| N7 | C8 | N10 | C14 | 0.4° | 0.0° |
| C8 | N7 | C6 | H2 | 13.9° | 30.0° |
| C8 | N7 | C6 | H3 | 133.5° | 150.0° |
| C23 | N7 | C8 | N10 | 0.5° | 0.1° |
| N7 | C23 | S22 | C15 | 179.9° | 180.0° |
| N7 | C23 | S22 | C21 | 180.0° | 180.0° |
| N7 | C23 | C15 | C14 | 0.1° | 0.1° |
| N7 | C23 | C15 | C16 | 180.0° | 180.0° |
| C23 | N7 | C6 | H2 | 165.8° | 149.9° |
| C23 | N7 | C6 | H3 | 46.2° | 29.9° |
| C8 | N10 | N11 | C14 | 179.6° | 180.0° |
| C8 | N10 | N11 | C12 | 179.9° | 179.9° |
| C8 | N10 | C14 | C15 | 0.2° | 0.1° |
| C8 | N10 | C14 | N13 | 179.9° | 180.0° |
| S22 | C23 | C15 | C14 | 180.0° | 180.0° |
| S22 | C23 | C15 | C16 | 0.1° | 0.0° |
| C23 | S22 | C21 | C16 | 0.0° | 0.0° |
| C23 | S22 | C21 | C20 | 180.0° | 180.0° |
| C21 | S22 | C23 | C15 | 0.1° | 0.0° |
| S22 | C21 | C16 | C15 | 0.1° | 0.0° |
| S22 | C21 | C16 | C20 | 180.0° | 180.0° |
| S22 | C21 | C16 | C17 | 179.9° | 179.9° |
| S22 | C21 | C20 | C19 | 162.9° | 163.4° |
| S22 | C21 | C20 | H6 | 77.0° | 76.8° |
| S22 | C21 | C20 | H7 | 42.9° | 43.5° |
| C23 | C15 | C14 | N10 | 0.0° | 0.1° |
| C23 | C15 | C14 | C16 | 179.8° | 180.0° |
| C23 | C15 | C14 | N13 | 179.9° | 179.9° |
| C23 | C15 | C16 | C21 | 0.1° | 0.0° |
| C23 | C15 | C16 | C17 | 179.9° | 179.9° |
| N11 | N10 | C14 | C15 | 179.8° | 180.0° |
| N11 | N10 | C14 | N13 | 0.4° | 0.0° |
| N10 | N11 | C12 | N13 | 0.1° | 0.0° |
| N10 | N11 | C12 | H11 | 179.8° | 180.0° |
| C14 | N10 | N11 | C12 | 0.3° | 0.0° |
| N10 | C14 | C15 | N13 | 179.9° | 180.0° |
| N10 | C14 | C15 | C16 | 179.9° | 179.9° |
| N10 | C14 | N13 | C12 | 0.2° | 0.0° |
| N11 | C12 | N13 | C14 | 0.1° | 0.0° |
| N11 | C12 | N13 | H11 | 180.0° | 180.0° |
| C14 | C15 | C16 | C21 | 179.9° | 180.0° |
| C15 | C14 | N13 | C12 | 179.9° | 180.0° |
| C14 | C15 | C16 | C17 | 0.0° | 0.0° |
| C16 | C15 | C14 | N13 | 0.3° | 0.0° |
| C15 | C16 | C21 | C17 | 180.0° | 180.0° |
| C15 | C16 | C21 | C20 | 179.9° | 180.0° |
| C15 | C16 | C17 | C18 | 167.7° | 162.7° |
| C15 | C16 | C17 | H4 | 72.0° | 77.6° |
| C15 | C16 | C17 | H5 | 47.3° | 42.9° |
| C14 | N13 | C12 | H11 | 180.0° | 180.0° |
| C16 | C21 | C20 | C19 | 17.0° | 16.5° |
| C21 | C16 | C17 | C18 | 12.3° | 17.4° |
| C21 | C16 | C17 | H4 | 108.1° | 102.4° |
| C21 | C16 | C17 | H5 | 132.7° | 137.1° |
| C16 | C21 | C20 | H6 | 103.0° | 103.2° |
| C16 | C21 | C20 | H7 | 137.1° | 136.4° |
| C20 | C21 | C16 | C17 | 0.1° | 0.0° |
| C21 | C20 | C19 | H6 | 120.1° | 119.8° |
| C21 | C20 | C19 | H7 | 120.0° | 120.0° |
| C21 | C20 | C19 | C18 | 46.7° | 49.9° |
| C21 | C20 | H6 | H7 | 119.8° | 120.4° |
| C21 | C20 | C19 | H14 | 167.2° | 169.8° |
| C21 | C20 | C19 | H15 | 73.7° | 69.9° |
| C16 | C17 | C18 | H4 | 120.4° | 119.8° |
| C16 | C17 | C18 | H5 | 120.3° | 119.8° |
| C16 | C17 | C18 | C19 | 41.7° | 50.9° |
| C16 | C17 | H4 | H5 | 118.9° | 120.4° |
| C16 | C17 | C18 | H12 | 162.0° | 170.8° |
| C16 | C17 | C18 | H13 | 78.7° | 69.1° |
| C20 | C19 | C18 | C17 | 61.6° | 70.4° |
| C20 | C19 | C18 | H14 | 120.5° | 119.9° |
| C20 | C19 | C18 | H15 | 120.4° | 119.9° |
| C19 | C20 | H6 | H7 | 119.9° | 120.3° |
| C20 | C19 | C18 | H12 | 178.1° | 169.7° |
| C20 | C19 | C18 | H13 | 58.8° | 49.5° |
| C20 | C19 | H14 | H15 | 118.7° | 120.3° |
| C17 | C18 | C19 | H12 | 120.3° | 119.9° |
| C17 | C18 | C19 | H13 | 120.3° | 119.9° |
| C18 | C17 | H4 | H5 | 118.9° | 120.3° |
| C17 | C18 | H12 | H13 | 118.9° | 120.1° |
| C17 | C18 | C19 | H14 | 178.0° | 169.7° |
| C17 | C18 | C19 | H15 | 58.9° | 49.5° |
| C19 | C18 | C17 | H4 | 78.7° | 68.9° |
| C19 | C18 | C17 | H5 | 162.0° | 170.7° |
| C18 | C19 | C20 | H6 | 73.4° | 69.9° |
| C18 | C19 | C20 | H7 | 166.8° | 169.9° |
| C19 | C18 | H12 | H13 | 119.0° | 120.3° |
| C18 | C19 | H14 | H15 | 118.6° | 120.2° |
| H1 | C4 | C3 | H9 | 0.1° | 0.0° |
| H4 | C17 | C18 | H12 | 41.7° | 50.9° |
| H4 | C17 | C18 | H13 | 161.0° | 171.1° |
| H5 | C17 | C18 | H12 | 77.6° | 69.5° |
| H5 | C17 | C18 | H13 | 41.7° | 50.7° |
| H6 | C20 | C19 | H14 | 47.1° | 50.0° |
| H6 | C20 | C19 | H15 | 166.2° | 170.3° |
| H7 | C20 | C19 | H14 | 72.8° | 70.3° |
| H7 | C20 | C19 | H15 | 46.3° | 50.1° |
| H8 | C24 | C25 | H10 | 0.0° | 0.0° |
| H12 | C18 | C19 | H14 | 57.6° | 49.9° |
| H12 | C18 | C19 | H15 | 61.5° | 70.4° |
| H13 | C18 | C19 | H14 | 61.7° | 70.4° |
| H13 | C18 | C19 | H15 | 179.2° | 169.4° |
