SC8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | N16 | doub | 1.32Å | 1.36Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| N16 | C15 | sing | 1.32Å | 1.35Å | Aromatic |
| C18 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.49Å | |
| N04 | C05 | doub | 1.31Å | 1.36Å | Aromatic |
| N04 | N03 | sing | 1.40Å | 1.36Å | Aromatic |
| N10 | C12 | sing | 1.46Å | 1.45Å | |
| N10 | C09 | sing | 1.38Å | 1.37Å | |
| C05 | C01 | sing | 1.39Å | 1.43Å | Aromatic |
| N03 | C09 | sing | 1.37Å | 1.37Å | Aromatic |
| N03 | C02 | sing | 1.37Å | 1.45Å | Aromatic |
| C09 | C08 | doub | 1.37Å | 1.41Å | Aromatic |
| C01 | C02 | doub | 1.39Å | 1.43Å | Aromatic |
| CL24 | C23 | sing | 1.74Å | 1.68Å | |
| C02 | N06 | sing | 1.34Å | 1.37Å | Aromatic |
| C08 | C07 | sing | 1.41Å | 1.44Å | Aromatic |
| N06 | C07 | doub | 1.32Å | 1.33Å | Aromatic |
| C07 | C11 | sing | 1.48Å | 1.48Å | Aromatic |
| C23 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| CL25 | C22 | sing | 1.74Å | 1.69Å | |
| C22 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | H01 | sing | 1.08Å | 1.08Å | |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C08 | H08 | sing | 1.08Å | 1.08Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N16 | C17 | C18 | 123.0° | 120.7° |
| C17 | N16 | C15 | 117.5° | 121.8° |
| N16 | C17 | H17 | 118.5° | 119.6° |
| C17 | C18 | C13 | 118.5° | 119.2° |
| C18 | C17 | H17 | 118.5° | 119.7° |
| C17 | C18 | H18 | 120.8° | 120.4° |
| N16 | C15 | C14 | 123.4° | 120.7° |
| N16 | C15 | H15 | 118.3° | 119.7° |
| C18 | C13 | C14 | 119.3° | 118.5° |
| C18 | C13 | C12 | 120.4° | 120.8° |
| C13 | C18 | H18 | 120.7° | 120.4° |
| C15 | C14 | C13 | 118.2° | 119.1° |
| C15 | C14 | H14 | 120.9° | 120.4° |
| C14 | C15 | H15 | 118.3° | 119.6° |
| C14 | C13 | C12 | 120.3° | 120.8° |
| C13 | C14 | H14 | 120.9° | 120.4° |
| C13 | C12 | N10 | 112.2° | 109.5° |
| C13 | C12 | H121 | 108.6° | 109.4° |
| C13 | C12 | H122 | 108.0° | 109.5° |
| C05 | N04 | N03 | 105.7° | 108.8° |
| N04 | C05 | C01 | 112.3° | 109.1° |
| N04 | C05 | H05 | 123.9° | 125.5° |
| N04 | N03 | C09 | 128.0° | 132.5° |
| N04 | N03 | C02 | 112.1° | 107.7° |
| C12 | N10 | C09 | 118.2° | 119.9° |
| C12 | N10 | HN10 | 106.7° | 120.0° |
| N10 | C12 | H121 | 108.6° | 109.5° |
| N10 | C12 | H122 | 108.0° | 109.5° |
| N10 | C09 | N03 | 118.0° | 120.4° |
| N10 | C09 | C08 | 124.6° | 120.5° |
| C09 | N10 | HN10 | 106.7° | 120.0° |
| C05 | C01 | C02 | 105.4° | 107.6° |
| C05 | C01 | H01 | 127.3° | 126.2° |
| C01 | C05 | H05 | 123.9° | 125.4° |
| C09 | N03 | C02 | 119.9° | 119.8° |
| N03 | C09 | C08 | 117.4° | 119.1° |
| N03 | C02 | C01 | 104.4° | 106.8° |
| N03 | C02 | N06 | 123.1° | 120.8° |
| C09 | C08 | C07 | 119.1° | 119.3° |
| C09 | C08 | H08 | 120.4° | 120.3° |
| C01 | C02 | N06 | 132.5° | 132.4° |
| C02 | C01 | H01 | 127.3° | 126.2° |
| CL24 | C23 | C11 | 121.2° | 120.1° |
| CL24 | C23 | C22 | 119.7° | 120.1° |
| C02 | N06 | C07 | 116.1° | 120.9° |
| C08 | C07 | N06 | 124.2° | 120.2° |
| C08 | C07 | C11 | 118.9° | 119.9° |
| C07 | C08 | H08 | 120.5° | 120.4° |
| N06 | C07 | C11 | 116.5° | 119.9° |
| C07 | C11 | C23 | 123.1° | 120.1° |
| C07 | C11 | C19 | 117.2° | 120.1° |
| C11 | C23 | C22 | 119.1° | 119.8° |
| C23 | C11 | C19 | 119.7° | 119.7° |
| C23 | C22 | CL25 | 120.4° | 119.9° |
| C23 | C22 | C21 | 120.9° | 120.1° |
| C11 | C19 | C20 | 120.5° | 119.9° |
| C11 | C19 | H19 | 119.7° | 120.0° |
| CL25 | C22 | C21 | 118.6° | 119.9° |
| C22 | C21 | C20 | 119.9° | 120.2° |
| C22 | C21 | H21 | 120.1° | 119.8° |
| C19 | C20 | C21 | 119.9° | 120.2° |
| C20 | C19 | H19 | 119.7° | 120.1° |
| C19 | C20 | H20 | 120.1° | 119.9° |
| C21 | C20 | H20 | 120.0° | 119.9° |
| C20 | C21 | H21 | 120.1° | 119.9° |
| H121 | C12 | H122 | 111.6° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N16 | C17 | C18 | H17 | 180.0° | 179.8° |
| N16 | C17 | C18 | C13 | 2.0° | 0.5° |
| C17 | N16 | C15 | C14 | 2.1° | 0.1° |
| C17 | N16 | C15 | H15 | 177.9° | 180.0° |
| N16 | C17 | C18 | H18 | 178.0° | 179.9° |
| C18 | C17 | N16 | C15 | 2.6° | 0.2° |
| C17 | C18 | C13 | H18 | 180.0° | 179.6° |
| C17 | C18 | C13 | C14 | 0.8° | 0.4° |
| C17 | C18 | C13 | C12 | 179.6° | 179.7° |
| N16 | C15 | C14 | H15 | 180.0° | 179.9° |
| N16 | C15 | C14 | C13 | 1.0° | 0.1° |
| N16 | C15 | C14 | H14 | 179.0° | 180.0° |
| C15 | N16 | C17 | H17 | 177.4° | 180.0° |
| C18 | C13 | C14 | C15 | 0.3° | 0.2° |
| C18 | C13 | C14 | C12 | 178.8° | 179.8° |
| C18 | C13 | C12 | N10 | 52.9° | 90.3° |
| C18 | C13 | C12 | H121 | 172.9° | 149.7° |
| C18 | C13 | C12 | H122 | 66.0° | 29.8° |
| C18 | C13 | C14 | H14 | 179.7° | 179.8° |
| C13 | C18 | C17 | H17 | 178.0° | 179.7° |
| C15 | C14 | C13 | H14 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 179.1° | 180.0° |
| C14 | C13 | C12 | N10 | 125.9° | 89.9° |
| C14 | C13 | C12 | H121 | 5.9° | 30.1° |
| C14 | C13 | C12 | H122 | 115.3° | 150.0° |
| C13 | C14 | C15 | H15 | 179.0° | 180.0° |
| C14 | C13 | C18 | H18 | 179.2° | 180.0° |
| C13 | C12 | N10 | H121 | 120.0° | 120.0° |
| C13 | C12 | N10 | H122 | 118.9° | 120.0° |
| C13 | C12 | N10 | C09 | 102.1° | 180.0° |
| C13 | C12 | N10 | HN10 | 137.9° | 0.0° |
| C13 | C12 | H121 | H122 | 118.9° | 119.9° |
| C12 | C13 | C14 | H14 | 0.9° | 0.1° |
| C12 | C13 | C18 | H18 | 0.4° | 0.2° |
| N04 | C05 | C01 | H05 | 180.0° | 179.6° |
| C05 | N04 | N03 | C09 | 176.0° | 179.7° |
| C05 | N04 | N03 | C02 | 2.6° | 0.2° |
| N04 | C05 | C01 | C02 | 3.0° | 0.4° |
| N04 | C05 | C01 | H01 | 177.0° | 179.8° |
| N04 | N03 | C09 | N10 | 2.4° | 0.0° |
| N03 | N04 | C05 | C01 | 3.5° | 0.4° |
| N04 | N03 | C09 | C02 | 178.4° | 180.0° |
| N04 | N03 | C09 | C08 | 179.1° | 180.0° |
| N04 | N03 | C02 | C01 | 0.7° | 0.0° |
| N04 | N03 | C02 | N06 | 178.8° | 180.0° |
| N03 | N04 | C05 | H05 | 176.5° | 180.0° |
| C12 | N10 | C09 | HN10 | 120.0° | 180.0° |
| C12 | N10 | C09 | N03 | 163.6° | 180.0° |
| C12 | N10 | C09 | C08 | 14.7° | 0.1° |
| N10 | C12 | H121 | H122 | 118.9° | 120.1° |
| N10 | C09 | N03 | C08 | 178.5° | 179.9° |
| N10 | C09 | N03 | C02 | 176.0° | 180.0° |
| N10 | C09 | C08 | C07 | 178.3° | 180.0° |
| N10 | C09 | C08 | H08 | 1.7° | 0.0° |
| C09 | N10 | C12 | H121 | 17.9° | 60.0° |
| C09 | N10 | C12 | H122 | 139.1° | 59.9° |
| C05 | C01 | C02 | N03 | 1.3° | 0.3° |
| C05 | C01 | C02 | H01 | 180.0° | 179.8° |
| C05 | C01 | C02 | N06 | 179.3° | 179.8° |
| C09 | N03 | C02 | C01 | 177.9° | 180.0° |
| C09 | N03 | C02 | N06 | 2.6° | 0.0° |
| N03 | C09 | C08 | C07 | 0.0° | 0.1° |
| N03 | C09 | C08 | H08 | 179.9° | 179.9° |
| N03 | C09 | N10 | HN10 | 43.6° | 0.0° |
| C02 | N03 | C09 | C08 | 2.4° | 0.1° |
| N03 | C02 | C01 | N06 | 179.4° | 180.0° |
| N03 | C02 | N06 | C07 | 0.0° | 0.0° |
| N03 | C02 | C01 | H01 | 178.7° | 180.0° |
| C09 | C08 | C07 | H08 | 180.0° | 179.9° |
| C09 | C08 | C07 | N06 | 2.7° | 0.1° |
| C09 | C08 | C07 | C11 | 175.8° | 180.0° |
| C08 | C09 | N10 | HN10 | 134.7° | 180.0° |
| C01 | C02 | N06 | C07 | 179.3° | 180.0° |
| C02 | C01 | C05 | H05 | 177.0° | 180.0° |
| CL24 | C23 | C11 | C07 | 2.4° | 0.0° |
| CL24 | C23 | C11 | C22 | 179.7° | 179.8° |
| CL24 | C23 | C11 | C19 | 179.7° | 179.7° |
| CL24 | C23 | C22 | CL25 | 1.1° | 0.0° |
| CL24 | C23 | C22 | C21 | 179.9° | 179.7° |
| C02 | N06 | C07 | C08 | 2.6° | 0.1° |
| C02 | N06 | C07 | C11 | 175.9° | 180.0° |
| N06 | C02 | C01 | H01 | 0.7° | 0.0° |
| C08 | C07 | N06 | C11 | 173.3° | 179.9° |
| C08 | C07 | C11 | C23 | 63.4° | 179.7° |
| C08 | C07 | C11 | C19 | 119.2° | 0.0° |
| N06 | C07 | C11 | C23 | 123.0° | 0.2° |
| N06 | C07 | C11 | C19 | 54.4° | 180.0° |
| N06 | C07 | C08 | H08 | 177.3° | 179.9° |
| C07 | C11 | C23 | C19 | 177.3° | 179.7° |
| C07 | C11 | C23 | C22 | 177.9° | 179.8° |
| C07 | C11 | C19 | C20 | 177.2° | 180.0° |
| C11 | C07 | C08 | H08 | 4.2° | 0.0° |
| C07 | C11 | C19 | H19 | 2.8° | 0.0° |
| C11 | C23 | C22 | CL25 | 179.2° | 179.7° |
| C11 | C23 | C22 | C21 | 0.2° | 0.5° |
| C23 | C11 | C19 | C20 | 0.3° | 0.3° |
| C23 | C11 | C19 | H19 | 179.7° | 179.8° |
| C22 | C23 | C11 | C19 | 0.5° | 0.5° |
| C23 | C22 | CL25 | C21 | 179.0° | 179.8° |
| C23 | C22 | C21 | C20 | 1.0° | 0.3° |
| C23 | C22 | C21 | H21 | 179.0° | 179.8° |
| C11 | C19 | C20 | H19 | 180.0° | 180.0° |
| C11 | C19 | C20 | C21 | 1.6° | 0.0° |
| C11 | C19 | C20 | H20 | 178.4° | 180.0° |
| CL25 | C22 | C21 | C20 | 178.0° | 180.0° |
| CL25 | C22 | C21 | H21 | 2.0° | 0.0° |
| C22 | C21 | C20 | C19 | 1.9° | 0.0° |
| C22 | C21 | C20 | H21 | 180.0° | 180.0° |
| C22 | C21 | C20 | H20 | 178.1° | 180.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | H21 | 178.1° | 180.0° |
| C21 | C20 | C19 | H19 | 178.4° | 180.0° |
| H01 | C01 | C05 | H05 | 3.0° | 0.2° |
| HN10 | N10 | C12 | H121 | 102.1° | 120.0° |
| HN10 | N10 | C12 | H122 | 19.0° | 120.0° |
| H14 | C14 | C15 | H15 | 1.0° | 0.1° |
| H17 | C17 | C18 | H18 | 2.0° | 0.1° |
| H19 | C19 | C20 | H20 | 1.6° | 0.0° |
| H20 | C20 | C21 | H21 | 1.9° | 0.0° |
