T9N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N02 | sing | 1.46Å | 1.44Å | |
| N02 | C03 | sing | 1.38Å | 1.40Å | |
| C03 | N04 | doub | 1.30Å | 1.37Å | Aromatic |
| C03 | S24 | sing | 1.71Å | 1.67Å | Aromatic |
| N04 | C05 | sing | 1.31Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.51Å | 1.51Å | |
| C05 | C07 | doub | 1.35Å | 1.41Å | Aromatic |
| C07 | C08 | sing | 1.47Å | 1.50Å | |
| C07 | S24 | sing | 1.76Å | 1.66Å | Aromatic |
| C08 | N09 | sing | 1.33Å | 1.34Å | Aromatic |
| C08 | C21 | doub | 1.42Å | 1.45Å | Aromatic |
| N09 | C10 | doub | 1.32Å | 1.36Å | Aromatic |
| C10 | N11 | sing | 1.38Å | 1.45Å | |
| C10 | N19 | sing | 1.33Å | 1.38Å | Aromatic |
| N11 | C12 | sing | 1.40Å | 1.47Å | |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | O15 | sing | 1.36Å | 1.40Å | |
| C14 | C16 | sing | 1.39Å | 1.44Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.43Å | Aromatic |
| N19 | C20 | doub | 1.32Å | 1.36Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.43Å | 1.52Å | |
| C22 | N23 | trip | 1.14Å | 1.14Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| N02 | H02 | sing | 0.97Å | 1.00Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H063 | sing | 1.09Å | 1.10Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| O15 | H15 | sing | 0.97Å | 0.95Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 118.9° | 120.0° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| N02 | C01 | H012 | 109.4° | 109.5° |
| N02 | C01 | H013 | 109.5° | 109.5° |
| C01 | N02 | H02 | 107.0° | 120.0° |
| N02 | C03 | N04 | 129.4° | 124.9° |
| N02 | C03 | S24 | 123.7° | 124.8° |
| C03 | N02 | H02 | 107.1° | 120.0° |
| N04 | C03 | S24 | 106.9° | 110.3° |
| C03 | N04 | C05 | 113.2° | 117.2° |
| C03 | S24 | C07 | 99.8° | 90.4° |
| N04 | C05 | C06 | 121.0° | 122.9° |
| N04 | C05 | C07 | 116.2° | 114.2° |
| C06 | C05 | C07 | 122.8° | 122.9° |
| C05 | C06 | H061 | 109.5° | 109.4° |
| C05 | C06 | H062 | 109.5° | 109.5° |
| C05 | C06 | H063 | 109.4° | 109.5° |
| C05 | C07 | C08 | 128.9° | 126.0° |
| C05 | C07 | S24 | 103.8° | 107.9° |
| C08 | C07 | S24 | 127.2° | 126.1° |
| C07 | C08 | N09 | 121.0° | 120.7° |
| C07 | C08 | C21 | 118.6° | 120.6° |
| N09 | C08 | C21 | 120.2° | 118.7° |
| C08 | N09 | C10 | 118.2° | 120.7° |
| C08 | C21 | C20 | 119.1° | 118.1° |
| C08 | C21 | C22 | 119.3° | 120.9° |
| N09 | C10 | N11 | 117.5° | 119.0° |
| N09 | C10 | N19 | 124.0° | 122.1° |
| N11 | C10 | N19 | 118.4° | 118.9° |
| C10 | N11 | C12 | 121.9° | 120.0° |
| C10 | N11 | H11 | 119.1° | 120.0° |
| C10 | N19 | C20 | 119.5° | 121.2° |
| N11 | C12 | C13 | 117.9° | 120.1° |
| N11 | C12 | C18 | 122.1° | 120.0° |
| C12 | N11 | H11 | 119.0° | 120.0° |
| C13 | C12 | C18 | 119.9° | 119.9° |
| C12 | C13 | C14 | 119.5° | 119.9° |
| C12 | C13 | H13 | 120.3° | 120.1° |
| C12 | C18 | C17 | 120.7° | 120.0° |
| C12 | C18 | H18 | 119.7° | 120.0° |
| C13 | C14 | O15 | 118.1° | 120.0° |
| C13 | C14 | C16 | 121.1° | 119.9° |
| C14 | C13 | H13 | 120.2° | 120.0° |
| O15 | C14 | C16 | 120.8° | 120.0° |
| C14 | O15 | H15 | 109.5° | 114.0° |
| C14 | C16 | C17 | 119.2° | 120.1° |
| C14 | C16 | H16 | 120.4° | 119.9° |
| C16 | C17 | C18 | 119.5° | 120.2° |
| C17 | C16 | H16 | 120.4° | 120.0° |
| C16 | C17 | H17 | 120.2° | 119.9° |
| C17 | C18 | H18 | 119.7° | 120.0° |
| C18 | C17 | H17 | 120.2° | 119.9° |
| N19 | C20 | C21 | 118.9° | 119.1° |
| N19 | C20 | H20 | 120.6° | 120.4° |
| C20 | C21 | C22 | 121.5° | 120.9° |
| C21 | C20 | H20 | 120.6° | 120.5° |
| C21 | C22 | N23 | 177.1° | 180.0° |
| H011 | C01 | H012 | 109.5° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H061 | C06 | H063 | 109.5° | 109.5° |
| H062 | C06 | H063 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | H02 | 121.3° | 179.9° |
| C01 | N02 | C03 | N04 | 120.3° | 0.1° |
| C01 | N02 | C03 | S24 | 59.3° | 179.7° |
| N02 | C01 | H011 | H012 | 120.0° | 120.0° |
| N02 | C01 | H011 | H013 | 120.0° | 120.1° |
| N02 | C01 | H012 | H013 | 120.0° | 120.1° |
| N02 | C03 | N04 | S24 | 179.6° | 179.7° |
| N02 | C03 | N04 | C05 | 179.6° | 180.0° |
| N02 | C03 | S24 | C07 | 178.7° | 179.9° |
| C03 | N02 | C01 | H011 | 180.0° | 180.0° |
| C03 | N02 | C01 | H012 | 60.0° | 60.1° |
| C03 | N02 | C01 | H013 | 60.0° | 60.0° |
| C03 | N04 | C05 | C06 | 179.5° | 180.0° |
| C03 | N04 | C05 | C07 | 0.6° | 0.0° |
| N04 | C03 | S24 | C07 | 1.7° | 0.3° |
| N04 | C03 | N02 | H02 | 1.0° | 180.0° |
| S24 | C03 | N04 | C05 | 0.8° | 0.2° |
| C03 | S24 | C07 | C05 | 1.9° | 0.3° |
| C03 | S24 | C07 | C08 | 177.0° | 180.0° |
| S24 | C03 | N02 | H02 | 179.4° | 0.3° |
| N04 | C05 | C06 | C07 | 179.9° | 179.9° |
| N04 | C05 | C07 | C08 | 177.2° | 180.0° |
| N04 | C05 | C07 | S24 | 1.7° | 0.3° |
| N04 | C05 | C06 | H061 | 0.0° | 90.0° |
| N04 | C05 | C06 | H062 | 120.0° | 150.0° |
| N04 | C05 | C06 | H063 | 120.0° | 30.0° |
| C06 | C05 | C07 | C08 | 2.7° | 0.1° |
| C06 | C05 | C07 | S24 | 178.4° | 179.8° |
| C05 | C06 | H061 | H062 | 120.0° | 119.9° |
| C05 | C06 | H061 | H063 | 120.0° | 120.0° |
| C05 | C06 | H062 | H063 | 120.0° | 120.0° |
| C05 | C07 | C08 | S24 | 178.7° | 179.6° |
| C05 | C07 | C08 | N09 | 149.0° | 0.0° |
| C05 | C07 | C08 | C21 | 35.0° | 179.7° |
| C07 | C05 | C06 | H061 | 179.9° | 90.1° |
| C07 | C05 | C06 | H062 | 59.9° | 29.9° |
| C07 | C05 | C06 | H063 | 60.1° | 149.9° |
| C07 | C08 | N09 | C21 | 176.0° | 179.7° |
| C07 | C08 | N09 | C10 | 178.8° | 180.0° |
| C07 | C08 | C21 | C20 | 179.3° | 179.8° |
| C07 | C08 | C21 | C22 | 1.3° | 0.0° |
| S24 | C07 | C08 | N09 | 32.3° | 179.6° |
| S24 | C07 | C08 | C21 | 143.7° | 0.0° |
| C08 | N09 | C10 | N11 | 177.5° | 180.0° |
| C08 | N09 | C10 | N19 | 0.9° | 0.0° |
| N09 | C08 | C21 | C20 | 3.2° | 0.5° |
| N09 | C08 | C21 | C22 | 174.8° | 179.7° |
| C21 | C08 | N09 | C10 | 2.9° | 0.3° |
| C08 | C21 | C20 | N19 | 1.5° | 0.5° |
| C08 | C21 | C20 | C22 | 177.9° | 179.7° |
| C08 | C21 | C22 | N23 | 88.7° | 42.1° |
| C08 | C21 | C20 | H20 | 178.5° | 179.8° |
| N09 | C10 | N11 | N19 | 178.6° | 180.0° |
| N09 | C10 | N11 | C12 | 25.9° | 174.5° |
| N09 | C10 | N19 | C20 | 0.8° | 0.0° |
| N09 | C10 | N11 | H11 | 154.1° | 5.5° |
| C10 | N11 | C12 | H11 | 180.0° | 180.0° |
| C10 | N11 | C12 | C13 | 150.4° | 146.2° |
| C10 | N11 | C12 | C18 | 30.3° | 34.0° |
| N11 | C10 | N19 | C20 | 179.2° | 180.0° |
| N19 | C10 | N11 | C12 | 155.5° | 5.5° |
| C10 | N19 | C20 | C21 | 0.4° | 0.3° |
| N19 | C10 | N11 | H11 | 24.5° | 174.5° |
| C10 | N19 | C20 | H20 | 179.6° | 180.0° |
| N11 | C12 | C13 | C18 | 179.4° | 179.8° |
| N11 | C12 | C13 | C14 | 179.4° | 180.0° |
| N11 | C12 | C18 | C17 | 180.0° | 179.8° |
| N11 | C12 | C13 | H13 | 0.6° | 0.0° |
| N11 | C12 | C18 | H18 | 0.0° | 0.1° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | O15 | 178.7° | 180.0° |
| C12 | C13 | C14 | C16 | 1.2° | 0.0° |
| C13 | C12 | C18 | C17 | 0.7° | 0.4° |
| C13 | C12 | N11 | H11 | 29.6° | 33.8° |
| C13 | C12 | C18 | H18 | 179.3° | 179.7° |
| C18 | C12 | C13 | C14 | 1.2° | 0.2° |
| C12 | C18 | C17 | C16 | 0.0° | 0.5° |
| C12 | C18 | C17 | H18 | 180.0° | 179.8° |
| C18 | C12 | N11 | H11 | 149.7° | 146.0° |
| C18 | C12 | C13 | H13 | 178.8° | 179.7° |
| C12 | C18 | C17 | H17 | 179.9° | 179.8° |
| C13 | C14 | O15 | C16 | 179.9° | 180.0° |
| C13 | C14 | C16 | C17 | 0.6° | 0.0° |
| C13 | C14 | O15 | H15 | 180.0° | 90.0° |
| C13 | C14 | C16 | H16 | 179.5° | 179.9° |
| O15 | C14 | C16 | C17 | 179.4° | 180.0° |
| O15 | C14 | C13 | H13 | 1.2° | 0.0° |
| O15 | C14 | C16 | H16 | 0.6° | 0.1° |
| C14 | C16 | C17 | H16 | 180.0° | 180.0° |
| C14 | C16 | C17 | C18 | 0.0° | 0.2° |
| C16 | C14 | C13 | H13 | 178.8° | 180.0° |
| C16 | C14 | O15 | H15 | 0.1° | 90.0° |
| C14 | C16 | C17 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.8° |
| C16 | C17 | C18 | H18 | 180.0° | 179.7° |
| C18 | C17 | C16 | H16 | 180.0° | 179.8° |
| N19 | C20 | C21 | H20 | 180.0° | 179.7° |
| N19 | C20 | C21 | C22 | 176.4° | 179.7° |
| C20 | C21 | C22 | N23 | 93.4° | 138.1° |
| C22 | C21 | C20 | H20 | 3.6° | 0.0° |
| H011 | C01 | H012 | H013 | 120.0° | 119.9° |
| H011 | C01 | N02 | H02 | 58.7° | 0.1° |
| H012 | C01 | N02 | H02 | 61.3° | 120.0° |
| H013 | C01 | N02 | H02 | 178.7° | 119.9° |
| H061 | C06 | H062 | H063 | 120.0° | 120.0° |
| H18 | C18 | C17 | H17 | 0.0° | 0.1° |
| H16 | C16 | C17 | H17 | 0.0° | 0.0° |
