T8Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N21 | C20 | doub | 1.32Å | 1.34Å | Aromatic |
| N21 | C22 | sing | 1.32Å | 1.31Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.37Å | Aromatic |
| C16 | C15 | sing | 1.55Å | 1.48Å | |
| C16 | C17 | sing | 1.54Å | 1.33Å | |
| C15 | C14 | sing | 1.55Å | 1.57Å | |
| C23 | C18 | sing | 1.39Å | 1.42Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.57Å | |
| C17 | N13 | sing | 1.47Å | 1.61Å | |
| C01 | N02 | sing | 1.46Å | 1.48Å | |
| C14 | N13 | sing | 1.48Å | 1.26Å | |
| N02 | N03 | sing | 1.29Å | 1.37Å | Aromatic |
| N02 | C06 | sing | 1.37Å | 1.33Å | Aromatic |
| N03 | N04 | doub | 1.29Å | 1.35Å | Aromatic |
| N13 | C12 | sing | 1.47Å | 1.23Å | |
| C06 | C07 | sing | 1.47Å | 1.41Å | |
| C06 | C05 | doub | 1.37Å | 1.38Å | Aromatic |
| N08 | C07 | sing | 1.37Å | 1.33Å | Aromatic |
| N08 | C09 | sing | 1.38Å | 1.37Å | Aromatic |
| N04 | C05 | sing | 1.33Å | 1.33Å | Aromatic |
| C07 | N27 | doub | 1.31Å | 1.34Å | Aromatic |
| C10 | C09 | doub | 1.39Å | 1.45Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.43Å | Aromatic |
| C09 | C26 | sing | 1.41Å | 1.37Å | Aromatic |
| N27 | C26 | sing | 1.35Å | 1.36Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.54Å | |
| C11 | C24 | doub | 1.39Å | 1.41Å | Aromatic |
| C26 | C25 | doub | 1.40Å | 1.45Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| C01 | H18 | sing | 1.09Å | 1.10Å | |
| C01 | H19 | sing | 1.09Å | 1.10Å | |
| C01 | H20 | sing | 1.09Å | 1.10Å | |
| C05 | H21 | sing | 1.08Å | 1.08Å | |
| N08 | H22 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | N21 | C22 | 121.6° | 121.8° |
| N21 | C20 | C19 | 121.0° | 120.8° |
| N21 | C20 | H13 | 119.5° | 119.6° |
| N21 | C22 | C23 | 120.3° | 120.7° |
| N21 | C22 | H14 | 119.9° | 119.6° |
| C20 | C19 | C18 | 119.9° | 119.1° |
| C20 | C19 | H12 | 120.1° | 120.4° |
| C19 | C20 | H13 | 119.5° | 119.6° |
| C22 | C23 | C18 | 120.2° | 119.2° |
| C23 | C22 | H14 | 119.9° | 119.6° |
| C22 | C23 | H15 | 119.9° | 120.4° |
| C19 | C18 | C23 | 117.0° | 118.4° |
| C19 | C18 | C17 | 122.6° | 120.8° |
| C18 | C19 | H12 | 120.0° | 120.4° |
| C15 | C16 | C17 | 107.2° | 103.0° |
| C16 | C15 | C14 | 106.2° | 101.7° |
| C16 | C15 | H7 | 110.3° | 111.0° |
| C16 | C15 | H8 | 110.3° | 111.0° |
| C15 | C16 | H9 | 110.0° | 110.7° |
| C15 | C16 | H10 | 110.0° | 110.7° |
| C16 | C17 | C18 | 102.7° | 109.9° |
| C16 | C17 | N13 | 103.6° | 107.2° |
| C17 | C16 | H9 | 110.0° | 110.7° |
| C17 | C16 | H10 | 110.0° | 110.7° |
| C16 | C17 | H11 | 110.3° | 109.9° |
| C15 | C14 | N13 | 102.6° | 104.8° |
| C15 | C14 | H5 | 111.2° | 110.4° |
| C15 | C14 | H6 | 111.2° | 110.5° |
| C14 | C15 | H7 | 110.3° | 111.0° |
| C14 | C15 | H8 | 110.3° | 111.0° |
| C23 | C18 | C17 | 120.4° | 120.8° |
| C18 | C23 | H15 | 119.9° | 120.4° |
| C18 | C17 | N13 | 125.7° | 109.9° |
| C18 | C17 | H11 | 107.1° | 110.0° |
| C17 | N13 | C14 | 107.9° | 108.6° |
| C17 | N13 | C12 | 124.4° | 111.0° |
| N13 | C17 | H11 | 106.8° | 109.9° |
| C01 | N02 | N03 | 124.4° | 126.0° |
| C01 | N02 | C06 | 127.8° | 126.0° |
| N02 | C01 | H18 | 109.5° | 109.5° |
| N02 | C01 | H19 | 109.5° | 109.4° |
| N02 | C01 | H20 | 109.5° | 109.5° |
| C14 | N13 | C12 | 117.9° | 111.0° |
| N13 | C14 | H5 | 111.2° | 110.4° |
| N13 | C14 | H6 | 111.2° | 110.4° |
| N03 | N02 | C06 | 107.8° | 108.0° |
| N02 | N03 | N04 | 108.4° | 110.6° |
| N02 | C06 | C07 | 129.4° | 127.2° |
| N02 | C06 | C05 | 107.6° | 105.6° |
| N03 | N04 | C05 | 107.4° | 109.4° |
| N13 | C12 | C11 | 116.4° | 109.5° |
| N13 | C12 | H2 | 107.7° | 109.5° |
| N13 | C12 | H3 | 107.7° | 109.5° |
| C07 | C06 | C05 | 123.0° | 127.2° |
| C06 | C07 | N08 | 128.0° | 125.1° |
| C06 | C07 | N27 | 122.5° | 125.2° |
| C06 | C05 | N04 | 108.8° | 106.4° |
| C06 | C05 | H21 | 125.6° | 126.8° |
| C07 | N08 | C09 | 108.0° | 107.2° |
| N08 | C07 | N27 | 109.5° | 109.7° |
| C07 | N08 | H22 | 126.0° | 126.5° |
| N08 | C09 | C10 | 132.9° | 133.9° |
| N08 | C09 | C26 | 107.1° | 106.2° |
| C09 | N08 | H22 | 126.0° | 126.4° |
| N04 | C05 | H21 | 125.6° | 126.8° |
| C07 | N27 | C26 | 108.3° | 109.7° |
| C09 | C10 | C11 | 119.5° | 119.9° |
| C10 | C09 | C26 | 120.1° | 119.9° |
| C09 | C10 | H1 | 120.3° | 120.1° |
| C10 | C11 | C12 | 120.5° | 119.7° |
| C10 | C11 | C24 | 119.9° | 120.5° |
| C11 | C10 | H1 | 120.2° | 120.1° |
| C09 | C26 | N27 | 107.1° | 107.2° |
| C09 | C26 | C25 | 120.6° | 119.4° |
| N27 | C26 | C25 | 132.3° | 133.4° |
| C12 | C11 | C24 | 119.6° | 119.8° |
| C11 | C12 | H2 | 107.7° | 109.4° |
| C11 | C12 | H3 | 107.7° | 109.4° |
| C11 | C24 | C25 | 120.7° | 120.5° |
| C11 | C24 | H16 | 119.7° | 119.7° |
| C26 | C25 | C24 | 119.2° | 119.8° |
| C26 | C25 | H17 | 120.4° | 120.1° |
| C25 | C24 | H16 | 119.7° | 119.8° |
| C24 | C25 | H17 | 120.4° | 120.1° |
| H2 | C12 | H3 | 109.5° | 109.5° |
| H5 | C14 | H6 | 109.4° | 110.3° |
| H7 | C15 | H8 | 109.5° | 110.9° |
| H9 | C16 | H10 | 109.5° | 110.8° |
| H18 | C01 | H19 | 109.5° | 109.5° |
| H18 | C01 | H20 | 109.5° | 109.5° |
| H19 | C01 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N21 | C20 | C19 | H13 | 180.0° | 179.9° |
| C20 | N21 | C22 | C23 | 0.3° | 0.3° |
| N21 | C20 | C19 | C18 | 0.4° | 0.1° |
| N21 | C20 | C19 | H12 | 179.7° | 179.9° |
| C20 | N21 | C22 | H14 | 179.6° | 180.0° |
| C22 | N21 | C20 | C19 | 0.0° | 0.1° |
| N21 | C22 | C23 | H14 | 180.0° | 179.7° |
| N21 | C22 | C23 | C18 | 0.2° | 0.6° |
| C22 | N21 | C20 | H13 | 180.0° | 179.9° |
| N21 | C22 | C23 | H15 | 179.8° | 180.0° |
| C20 | C19 | C18 | H12 | 180.0° | 180.0° |
| C20 | C19 | C18 | C23 | 0.4° | 0.2° |
| C20 | C19 | C18 | C17 | 179.3° | 179.9° |
| C22 | C23 | C18 | C19 | 0.1° | 0.6° |
| C22 | C23 | C18 | H15 | 180.0° | 179.4° |
| C22 | C23 | C18 | C17 | 179.6° | 179.7° |
| C19 | C18 | C17 | C16 | 82.3° | 125.9° |
| C19 | C18 | C23 | C17 | 179.7° | 179.7° |
| C19 | C18 | C17 | N13 | 35.1° | 116.3° |
| C19 | C18 | C17 | H11 | 161.4° | 4.9° |
| C18 | C19 | C20 | H13 | 179.6° | 180.0° |
| C19 | C18 | C23 | H15 | 179.8° | 180.0° |
| C15 | C16 | C17 | H9 | 119.7° | 118.3° |
| C15 | C16 | C17 | H10 | 119.6° | 118.4° |
| C16 | C15 | C14 | H7 | 119.5° | 118.1° |
| C16 | C15 | C14 | H8 | 119.5° | 118.1° |
| C15 | C16 | C17 | C18 | 112.2° | 141.7° |
| C15 | C16 | C17 | N13 | 19.9° | 22.3° |
| C16 | C15 | C14 | N13 | 21.3° | 37.1° |
| C16 | C15 | C14 | H5 | 97.6° | 155.9° |
| C16 | C15 | C14 | H6 | 140.2° | 81.8° |
| C16 | C15 | H7 | H8 | 121.5° | 123.9° |
| C15 | C16 | H9 | H10 | 121.0° | 123.2° |
| C15 | C16 | C17 | H11 | 133.8° | 97.1° |
| C17 | C16 | C15 | C14 | 2.3° | 35.7° |
| C16 | C17 | C18 | C23 | 98.0° | 53.8° |
| C16 | C17 | C18 | N13 | 117.4° | 117.7° |
| C16 | C17 | C18 | H11 | 116.3° | 121.1° |
| C16 | C17 | N13 | H11 | 116.5° | 119.4° |
| C16 | C17 | N13 | C14 | 36.7° | 1.0° |
| C16 | C17 | N13 | C12 | 178.5° | 123.3° |
| C17 | C16 | C15 | H7 | 117.1° | 82.4° |
| C17 | C16 | C15 | H8 | 121.8° | 153.8° |
| C17 | C16 | H9 | H10 | 121.0° | 123.3° |
| C15 | C14 | N13 | C17 | 32.9° | 24.1° |
| C15 | C14 | N13 | H5 | 118.9° | 118.8° |
| C15 | C14 | N13 | H6 | 118.9° | 119.0° |
| C15 | C14 | N13 | C12 | 179.7° | 146.4° |
| C15 | C14 | H5 | H6 | 123.2° | 122.4° |
| C14 | C15 | H7 | H8 | 121.5° | 123.8° |
| C14 | C15 | C16 | H9 | 117.3° | 154.1° |
| C14 | C15 | C16 | H10 | 122.0° | 82.7° |
| C23 | C18 | C17 | N13 | 144.7° | 64.0° |
| C23 | C18 | C17 | H11 | 18.3° | 174.8° |
| C23 | C18 | C19 | H12 | 179.6° | 179.7° |
| C18 | C23 | C22 | H14 | 179.7° | 179.7° |
| C18 | C17 | N13 | H11 | 126.5° | 121.2° |
| C18 | C17 | N13 | C14 | 80.2° | 118.4° |
| C18 | C17 | N13 | C12 | 64.5° | 3.9° |
| C18 | C17 | C16 | H9 | 128.1° | 100.0° |
| C18 | C17 | C16 | H10 | 7.4° | 23.3° |
| C17 | C18 | C19 | H12 | 0.7° | 0.0° |
| C17 | C18 | C23 | H15 | 0.4° | 0.3° |
| C17 | N13 | C14 | C12 | 147.4° | 122.3° |
| C17 | N13 | C12 | C11 | 41.1° | 163.4° |
| C17 | N13 | C12 | H2 | 162.1° | 76.7° |
| C17 | N13 | C12 | H3 | 79.9° | 43.4° |
| C17 | N13 | C14 | H5 | 86.0° | 142.9° |
| C17 | N13 | C14 | H6 | 151.8° | 94.9° |
| N13 | C17 | C16 | H9 | 99.8° | 140.6° |
| N13 | C17 | C16 | H10 | 139.5° | 96.1° |
| C01 | N02 | N03 | C06 | 179.1° | 179.9° |
| C01 | N02 | N03 | N04 | 179.9° | 179.8° |
| C01 | N02 | C06 | C07 | 1.4° | 0.2° |
| C01 | N02 | C06 | C05 | 180.0° | 180.0° |
| N02 | C01 | H18 | H19 | 120.0° | 119.9° |
| N02 | C01 | H18 | H20 | 120.0° | 120.0° |
| N02 | C01 | H19 | H20 | 120.0° | 119.9° |
| C14 | N13 | C12 | C11 | 100.5° | 75.8° |
| C14 | N13 | C12 | H2 | 20.5° | 44.2° |
| C14 | N13 | C12 | H3 | 138.5° | 164.2° |
| N13 | C14 | H5 | H6 | 123.2° | 122.2° |
| N13 | C14 | C15 | H7 | 140.8° | 81.0° |
| N13 | C14 | C15 | H8 | 98.2° | 155.2° |
| C14 | N13 | C17 | H11 | 153.3° | 120.4° |
| N03 | N02 | C06 | C07 | 179.5° | 180.0° |
| N03 | N02 | C06 | C05 | 0.9° | 0.1° |
| N02 | N03 | N04 | C05 | 0.4° | 0.5° |
| N03 | N02 | C01 | H18 | 0.0° | 96.4° |
| N03 | N02 | C01 | H19 | 120.0° | 143.7° |
| N03 | N02 | C01 | H20 | 120.0° | 23.7° |
| C06 | N02 | N03 | N04 | 0.8° | 0.3° |
| N02 | C06 | C07 | C05 | 178.4° | 179.8° |
| N02 | C06 | C07 | N08 | 13.0° | 6.3° |
| N02 | C06 | C05 | N04 | 0.7° | 0.2° |
| N02 | C06 | C07 | N27 | 168.5° | 173.8° |
| C06 | N02 | C01 | H18 | 179.0° | 83.5° |
| C06 | N02 | C01 | H19 | 61.0° | 36.5° |
| C06 | N02 | C01 | H20 | 59.0° | 156.4° |
| N02 | C06 | C05 | H21 | 179.3° | 180.0° |
| N03 | N04 | C05 | C06 | 0.2° | 0.4° |
| N03 | N04 | C05 | H21 | 179.8° | 179.8° |
| N13 | C12 | C11 | C10 | 85.7° | 90.0° |
| N13 | C12 | C11 | H2 | 121.0° | 120.0° |
| N13 | C12 | C11 | H3 | 121.0° | 120.0° |
| N13 | C12 | C11 | C24 | 94.8° | 89.9° |
| N13 | C12 | H2 | H3 | 116.9° | 120.1° |
| C12 | N13 | C14 | H5 | 61.4° | 94.8° |
| C12 | N13 | C14 | H6 | 60.7° | 27.4° |
| C12 | N13 | C17 | H11 | 62.0° | 117.3° |
| C06 | C07 | N08 | N27 | 178.6° | 179.9° |
| C06 | C07 | N08 | C09 | 179.5° | 180.0° |
| C07 | C06 | C05 | N04 | 179.4° | 179.7° |
| C06 | C07 | N27 | C26 | 179.4° | 180.0° |
| C07 | C06 | C05 | H21 | 0.6° | 0.2° |
| C06 | C07 | N08 | H22 | 0.5° | 0.1° |
| C05 | C06 | C07 | N08 | 168.6° | 173.9° |
| C06 | C05 | N04 | H21 | 180.0° | 179.9° |
| C05 | C06 | C07 | N27 | 9.8° | 6.0° |
| C07 | N08 | C09 | H22 | 180.0° | 179.9° |
| C07 | N08 | C09 | C10 | 179.3° | 179.9° |
| C07 | N08 | C09 | C26 | 0.7° | 0.0° |
| N08 | C07 | N27 | C26 | 0.7° | 0.0° |
| C09 | N08 | C07 | N27 | 0.9° | 0.0° |
| N08 | C09 | C10 | C26 | 179.9° | 179.9° |
| N08 | C09 | C10 | C11 | 179.8° | 180.0° |
| N08 | C09 | C26 | N27 | 0.3° | 0.0° |
| N08 | C09 | C26 | C25 | 179.6° | 180.0° |
| N08 | C09 | C10 | H1 | 0.2° | 0.3° |
| C07 | N27 | C26 | C09 | 0.3° | 0.0° |
| C07 | N27 | C26 | C25 | 179.8° | 180.0° |
| N27 | C07 | N08 | H22 | 179.1° | 180.0° |
| C09 | C10 | C11 | H1 | 180.0° | 179.6° |
| C10 | C09 | C26 | N27 | 179.8° | 180.0° |
| C09 | C10 | C11 | C12 | 179.5° | 179.9° |
| C09 | C10 | C11 | C24 | 1.1° | 0.0° |
| C10 | C09 | C26 | C25 | 0.3° | 0.1° |
| C10 | C09 | N08 | H22 | 0.7° | 0.0° |
| C11 | C10 | C09 | C26 | 0.3° | 0.1° |
| C10 | C11 | C12 | C24 | 179.5° | 179.9° |
| C10 | C11 | C24 | C25 | 1.3° | 0.0° |
| C10 | C11 | C12 | H2 | 35.3° | 150.0° |
| C10 | C11 | C12 | H3 | 153.3° | 30.0° |
| C10 | C11 | C24 | H16 | 178.6° | 180.0° |
| C09 | C26 | N27 | C25 | 179.9° | 180.0° |
| C09 | C26 | C25 | C24 | 0.1° | 0.0° |
| C26 | C09 | C10 | H1 | 179.7° | 179.7° |
| C09 | C26 | C25 | H17 | 179.9° | 180.0° |
| C26 | C09 | N08 | H22 | 179.2° | 180.0° |
| N27 | C26 | C25 | C24 | 180.0° | 180.0° |
| N27 | C26 | C25 | H17 | 0.0° | 0.1° |
| C12 | C11 | C24 | C25 | 179.2° | 180.0° |
| C12 | C11 | C10 | H1 | 0.5° | 0.3° |
| C11 | C12 | H2 | H3 | 116.9° | 119.9° |
| C12 | C11 | C24 | H16 | 0.8° | 0.1° |
| C11 | C24 | C25 | C26 | 0.7° | 0.0° |
| C11 | C24 | C25 | H16 | 180.0° | 179.9° |
| C24 | C11 | C10 | H1 | 178.9° | 179.7° |
| C24 | C11 | C12 | H2 | 144.2° | 30.1° |
| C24 | C11 | C12 | H3 | 26.2° | 150.0° |
| C11 | C24 | C25 | H17 | 179.3° | 179.9° |
| C26 | C25 | C24 | H17 | 180.0° | 180.0° |
| C26 | C25 | C24 | H16 | 179.2° | 180.0° |
| H5 | C14 | C15 | H7 | 21.9° | 37.8° |
| H5 | C14 | C15 | H8 | 142.9° | 86.0° |
| H6 | C14 | C15 | H7 | 100.3° | 160.1° |
| H6 | C14 | C15 | H8 | 20.7° | 36.3° |
| H7 | C15 | C16 | H9 | 123.2° | 35.9° |
| H7 | C15 | C16 | H10 | 2.5° | 159.2° |
| H8 | C15 | C16 | H9 | 2.2° | 87.9° |
| H8 | C15 | C16 | H10 | 118.5° | 35.4° |
| H9 | C16 | C17 | H11 | 14.2° | 21.2° |
| H10 | C16 | C17 | H11 | 106.5° | 144.5° |
| H12 | C19 | C20 | H13 | 0.3° | 0.1° |
| H14 | C22 | C23 | H15 | 0.2° | 0.3° |
| H16 | C24 | C25 | H17 | 0.8° | 0.0° |
| H18 | C01 | H19 | H20 | 120.0° | 120.1° |
