SC9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C05 | doub | 1.35Å | 1.38Å | Aromatic |
| C01 | N02 | sing | 1.36Å | 1.38Å | Aromatic |
| C05 | N04 | sing | 1.33Å | 1.36Å | Aromatic |
| F24 | C19 | sing | 1.35Å | 1.32Å | |
| N02 | C06 | sing | 1.37Å | 1.35Å | Aromatic |
| N02 | C03 | sing | 1.37Å | 1.35Å | Aromatic |
| C06 | C07 | doub | 1.36Å | 1.39Å | Aromatic |
| N04 | C03 | doub | 1.32Å | 1.35Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.44Å | Aromatic |
| C03 | C09 | sing | 1.42Å | 1.45Å | Aromatic |
| C07 | C18 | sing | 1.48Å | 1.50Å | Aromatic |
| C07 | N08 | sing | 1.34Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C09 | N08 | doub | 1.32Å | 1.32Å | Aromatic |
| C09 | N10 | sing | 1.39Å | 1.37Å | |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| N10 | C11 | sing | 1.47Å | 1.47Å | |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | N16 | sing | 1.32Å | 1.35Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| N16 | C17 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.50Å | |
| C01 | H01 | sing | 1.08Å | 1.08Å | |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C05 | C01 | N02 | 104.9° | 107.2° |
| C01 | C05 | N04 | 111.3° | 108.5° |
| C05 | C01 | H01 | 127.6° | 126.4° |
| C01 | C05 | H05 | 124.3° | 125.7° |
| C01 | N02 | C06 | 131.3° | 133.6° |
| C01 | N02 | C03 | 107.7° | 107.1° |
| N02 | C01 | H01 | 127.6° | 126.4° |
| C05 | N04 | C03 | 104.8° | 109.2° |
| N04 | C05 | H05 | 124.3° | 125.8° |
| F24 | C19 | C20 | 116.5° | 120.1° |
| F24 | C19 | C18 | 122.8° | 120.1° |
| C06 | N02 | C03 | 120.8° | 119.3° |
| N02 | C06 | C07 | 120.1° | 119.8° |
| N02 | C06 | H06 | 120.0° | 120.1° |
| N02 | C03 | N04 | 111.2° | 108.0° |
| N02 | C03 | C09 | 119.0° | 118.9° |
| C06 | C07 | C18 | 124.5° | 119.5° |
| C06 | C07 | N08 | 119.6° | 121.1° |
| C07 | C06 | H06 | 120.0° | 120.1° |
| N04 | C03 | C09 | 129.7° | 133.1° |
| C20 | C19 | C18 | 120.7° | 119.9° |
| C19 | C20 | C21 | 120.8° | 120.1° |
| C19 | C20 | H20 | 119.6° | 119.9° |
| C19 | C18 | C07 | 124.8° | 120.1° |
| C19 | C18 | C23 | 117.3° | 119.7° |
| C03 | C09 | N08 | 119.2° | 119.7° |
| C03 | C09 | N10 | 116.8° | 120.1° |
| C18 | C07 | N08 | 115.9° | 119.5° |
| C07 | C18 | C23 | 117.7° | 120.2° |
| C07 | N08 | C09 | 121.2° | 121.2° |
| C20 | C21 | C22 | 119.3° | 120.3° |
| C21 | C20 | H20 | 119.6° | 120.0° |
| C20 | C21 | H21 | 120.3° | 119.8° |
| C18 | C23 | C22 | 121.6° | 119.9° |
| C18 | C23 | H23 | 119.2° | 120.0° |
| N08 | C09 | N10 | 123.9° | 120.1° |
| C09 | N10 | C11 | 115.7° | 120.0° |
| C09 | N10 | HN10 | 107.4° | 120.0° |
| C21 | C22 | C23 | 120.3° | 120.1° |
| C22 | C21 | H21 | 120.4° | 119.8° |
| C21 | C22 | H22 | 119.8° | 120.0° |
| C23 | C22 | H22 | 119.9° | 119.9° |
| C22 | C23 | H23 | 119.2° | 120.1° |
| N10 | C11 | C12 | 109.3° | 109.5° |
| C11 | N10 | HN10 | 107.4° | 120.0° |
| N10 | C11 | H111 | 109.5° | 109.5° |
| N10 | C11 | H112 | 109.6° | 109.5° |
| C14 | C15 | N16 | 123.5° | 120.8° |
| C15 | C14 | C13 | 118.5° | 119.2° |
| C15 | C14 | H14 | 120.8° | 120.4° |
| C14 | C15 | H15 | 118.3° | 119.6° |
| C15 | N16 | C17 | 117.0° | 121.8° |
| N16 | C15 | H15 | 118.3° | 119.7° |
| C14 | C13 | C12 | 118.9° | 118.4° |
| C14 | C13 | H13 | 120.6° | 120.8° |
| C13 | C14 | H14 | 120.7° | 120.4° |
| N16 | C17 | C12 | 124.6° | 120.7° |
| N16 | C17 | H17 | 117.7° | 119.7° |
| C13 | C12 | C17 | 117.5° | 119.2° |
| C13 | C12 | C11 | 121.2° | 120.4° |
| C12 | C13 | H13 | 120.6° | 120.8° |
| C17 | C12 | C11 | 121.3° | 120.4° |
| C12 | C17 | H17 | 117.7° | 119.6° |
| C12 | C11 | H111 | 109.5° | 109.5° |
| C12 | C11 | H112 | 109.6° | 109.5° |
| H111 | C11 | H112 | 109.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C05 | C01 | N02 | H01 | 180.0° | 179.7° |
| C01 | C05 | N04 | H05 | 180.0° | 180.0° |
| C05 | C01 | N02 | C06 | 175.6° | 179.9° |
| C05 | C01 | N02 | C03 | 0.1° | 0.0° |
| C01 | C05 | N04 | C03 | 1.1° | 0.0° |
| N02 | C01 | C05 | N04 | 0.7° | 0.0° |
| C01 | N02 | C06 | C03 | 175.1° | 179.9° |
| C01 | N02 | C06 | C07 | 179.6° | 179.9° |
| C01 | N02 | C03 | N04 | 0.6° | 0.0° |
| C01 | N02 | C03 | C09 | 179.3° | 179.9° |
| N02 | C01 | C05 | H05 | 179.3° | 180.0° |
| C01 | N02 | C06 | H06 | 0.4° | 0.2° |
| C05 | N04 | C03 | N02 | 1.0° | 0.0° |
| C05 | N04 | C03 | C09 | 179.6° | 179.9° |
| N04 | C05 | C01 | H01 | 179.3° | 179.7° |
| F24 | C19 | C20 | C18 | 178.6° | 180.0° |
| F24 | C19 | C18 | C07 | 5.9° | 0.0° |
| F24 | C19 | C20 | C21 | 179.6° | 180.0° |
| F24 | C19 | C18 | C23 | 180.0° | 179.7° |
| F24 | C19 | C20 | H20 | 0.4° | 0.0° |
| N02 | C06 | C07 | H06 | 180.0° | 179.9° |
| C06 | N02 | C03 | N04 | 175.5° | 179.9° |
| C06 | N02 | C03 | C09 | 3.2° | 0.0° |
| N02 | C06 | C07 | C18 | 173.1° | 180.0° |
| N02 | C06 | C07 | N08 | 3.5° | 0.1° |
| C06 | N02 | C01 | H01 | 4.4° | 0.4° |
| C03 | N02 | C06 | C07 | 4.6° | 0.1° |
| N02 | C03 | N04 | C09 | 178.5° | 179.9° |
| N02 | C03 | C09 | N08 | 0.9° | 0.0° |
| N02 | C03 | C09 | N10 | 179.1° | 180.0° |
| C03 | N02 | C01 | H01 | 179.9° | 179.7° |
| C03 | N02 | C06 | H06 | 175.4° | 180.0° |
| C06 | C07 | C18 | C19 | 16.9° | 174.4° |
| C06 | C07 | C18 | N08 | 176.7° | 179.9° |
| C06 | C07 | C18 | C23 | 169.1° | 5.9° |
| C06 | C07 | N08 | C09 | 1.2° | 0.1° |
| N04 | C03 | C09 | N08 | 177.6° | 179.9° |
| N04 | C03 | C09 | N10 | 2.4° | 0.1° |
| C03 | N04 | C05 | H05 | 179.0° | 180.0° |
| C20 | C19 | C18 | C07 | 175.6° | 180.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C20 | C19 | C18 | C23 | 1.5° | 0.3° |
| C19 | C20 | C21 | C22 | 2.2° | 0.1° |
| C19 | C20 | C21 | H21 | 177.9° | 180.0° |
| C19 | C18 | C07 | C23 | 174.0° | 179.7° |
| C19 | C18 | C07 | N08 | 159.9° | 5.7° |
| C18 | C19 | C20 | C21 | 1.8° | 0.0° |
| C19 | C18 | C23 | C22 | 1.7° | 0.5° |
| C18 | C19 | C20 | H20 | 178.2° | 180.0° |
| C19 | C18 | C23 | H23 | 178.2° | 179.7° |
| C03 | C09 | N08 | C07 | 0.1° | 0.1° |
| C03 | C09 | N08 | N10 | 180.0° | 180.0° |
| C03 | C09 | N10 | C11 | 173.3° | 180.0° |
| C03 | C09 | N10 | HN10 | 66.7° | 0.1° |
| C18 | C07 | N08 | C09 | 175.8° | 180.0° |
| C07 | C18 | C23 | C22 | 176.2° | 179.7° |
| C18 | C07 | C06 | H06 | 6.9° | 0.0° |
| C07 | C18 | C23 | H23 | 3.8° | 0.0° |
| N08 | C07 | C18 | C23 | 14.1° | 174.0° |
| C07 | N08 | C09 | N10 | 179.9° | 179.9° |
| N08 | C07 | C06 | H06 | 176.5° | 180.0° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 2.3° | 0.2° |
| C20 | C21 | C22 | H22 | 177.7° | 180.0° |
| C18 | C23 | C22 | C21 | 2.2° | 0.5° |
| C18 | C23 | C22 | H23 | 180.0° | 179.8° |
| C18 | C23 | C22 | H22 | 177.8° | 179.7° |
| N08 | C09 | N10 | C11 | 6.7° | 0.0° |
| N08 | C09 | N10 | HN10 | 113.3° | 179.9° |
| C09 | N10 | C11 | HN10 | 120.0° | 180.0° |
| C09 | N10 | C11 | C12 | 93.5° | 180.0° |
| C09 | N10 | C11 | H111 | 146.6° | 60.0° |
| C09 | N10 | C11 | H112 | 26.6° | 60.0° |
| C21 | C22 | C23 | H22 | 180.0° | 179.8° |
| C22 | C21 | C20 | H20 | 177.8° | 180.0° |
| C21 | C22 | C23 | H23 | 177.8° | 179.7° |
| C23 | C22 | C21 | H21 | 177.7° | 179.7° |
| N10 | C11 | C12 | C13 | 65.3° | 90.0° |
| N10 | C11 | C12 | C17 | 114.4° | 90.3° |
| N10 | C11 | C12 | H111 | 120.0° | 120.0° |
| N10 | C11 | C12 | H112 | 120.1° | 120.0° |
| N10 | C11 | H111 | H112 | 120.1° | 120.0° |
| C14 | C15 | N16 | H15 | 180.0° | 179.9° |
| C15 | C14 | C13 | H14 | 180.0° | 180.0° |
| C14 | C15 | N16 | C17 | 1.5° | 0.3° |
| C15 | C14 | C13 | C12 | 0.7° | 0.1° |
| C15 | C14 | C13 | H13 | 179.3° | 180.0° |
| N16 | C15 | C14 | C13 | 1.6° | 0.1° |
| C15 | N16 | C17 | C12 | 0.5° | 0.6° |
| N16 | C15 | C14 | H14 | 178.4° | 180.0° |
| C15 | N16 | C17 | H17 | 179.5° | 180.0° |
| C14 | C13 | C12 | H13 | 180.0° | 179.9° |
| C14 | C13 | C12 | C17 | 0.2° | 0.3° |
| C14 | C13 | C12 | C11 | 179.4° | 180.0° |
| C13 | C14 | C15 | H15 | 178.4° | 180.0° |
| N16 | C17 | C12 | C13 | 0.3° | 0.6° |
| N16 | C17 | C12 | H17 | 180.0° | 179.4° |
| N16 | C17 | C12 | C11 | 179.3° | 179.7° |
| C17 | N16 | C15 | H15 | 178.5° | 179.7° |
| C13 | C12 | C17 | C11 | 179.6° | 179.7° |
| C13 | C12 | C11 | H111 | 54.7° | 30.0° |
| C13 | C12 | C11 | H112 | 174.6° | 150.0° |
| C12 | C13 | C14 | H14 | 179.3° | 180.0° |
| C13 | C12 | C17 | H17 | 179.7° | 180.0° |
| C17 | C12 | C11 | H111 | 125.7° | 149.7° |
| C17 | C12 | C11 | H112 | 5.7° | 29.7° |
| C17 | C12 | C13 | H13 | 179.8° | 179.8° |
| C12 | C11 | N10 | HN10 | 26.5° | 0.0° |
| C12 | C11 | H111 | H112 | 120.1° | 120.0° |
| C11 | C12 | C13 | H13 | 0.6° | 0.1° |
| C11 | C12 | C17 | H17 | 0.7° | 0.4° |
| H01 | C01 | C05 | H05 | 0.7° | 0.3° |
| HN10 | N10 | C11 | H111 | 93.4° | 120.0° |
| HN10 | N10 | C11 | H112 | 146.6° | 120.0° |
| H13 | C13 | C14 | H14 | 0.7° | 0.0° |
| H14 | C14 | C15 | H15 | 1.6° | 0.0° |
| H20 | C20 | C21 | H21 | 2.2° | 0.1° |
| H21 | C21 | C22 | H22 | 2.3° | 0.1° |
| H22 | C22 | C23 | H23 | 2.2° | 0.1° |
