TZS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | O02 | sing | 1.43Å | 1.41Å | |
| N06 | C07 | doub | 1.32Å | 1.33Å | Aromatic |
| N06 | C05 | sing | 1.33Å | 1.36Å | Aromatic |
| C04 | C05 | sing | 1.50Å | 1.44Å | |
| C04 | C03 | sing | 1.50Å | 1.41Å | |
| C07 | N08 | sing | 1.32Å | 1.35Å | Aromatic |
| O02 | C03 | sing | 1.36Å | 1.42Å | |
| C05 | C10 | doub | 1.37Å | 1.36Å | Aromatic |
| C03 | C12 | doub | 1.31Å | 1.39Å | |
| N08 | C09 | doub | 1.33Å | 1.31Å | Aromatic |
| C10 | C09 | sing | 1.40Å | 1.45Å | Aromatic |
| C10 | C11 | sing | 1.50Å | 1.43Å | |
| C12 | C11 | sing | 1.50Å | 1.40Å | |
| C12 | O13 | sing | 1.36Å | 1.41Å | |
| C09 | N15 | sing | 1.39Å | 1.43Å | |
| O13 | C14 | sing | 1.43Å | 1.43Å | |
| N15 | C20 | sing | 1.47Å | 1.54Å | |
| N15 | C16 | sing | 1.47Å | 1.50Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.47Å | |
| C17 | C18 | sing | 1.53Å | 1.46Å | |
| C18 | C21 | sing | 1.53Å | 1.55Å | |
| C21 | N22 | sing | 1.47Å | 1.47Å | |
| N22 | S23 | sing | 1.66Å | 1.68Å | |
| O25 | S23 | doub | 1.42Å | 1.46Å | |
| S23 | O24 | doub | 1.42Å | 1.46Å | |
| S23 | N26 | sing | 1.66Å | 1.68Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| N22 | H23 | sing | 0.97Å | 1.00Å | |
| N26 | H24 | sing | 0.97Å | 1.00Å | |
| N26 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O02 | C03 | 116.8° | 117.0° |
| O02 | C01 | H7 | 109.5° | 109.5° |
| O02 | C01 | H8 | 109.5° | 109.4° |
| O02 | C01 | H9 | 109.5° | 109.4° |
| C07 | N06 | C05 | 122.5° | 121.1° |
| N06 | C07 | N08 | 121.3° | 121.8° |
| N06 | C07 | H12 | 119.4° | 119.1° |
| N06 | C05 | C04 | 120.7° | 119.4° |
| N06 | C05 | C10 | 118.3° | 119.0° |
| C05 | C04 | C03 | 119.8° | 111.5° |
| C04 | C05 | C10 | 121.0° | 121.6° |
| C05 | C04 | H10 | 106.8° | 109.1° |
| C05 | C04 | H11 | 106.8° | 109.1° |
| C04 | C03 | O02 | 123.1° | 118.3° |
| C04 | C03 | C12 | 119.1° | 123.4° |
| C03 | C04 | H10 | 106.8° | 109.0° |
| C03 | C04 | H11 | 106.8° | 109.0° |
| C07 | N08 | C09 | 118.9° | 120.6° |
| N08 | C07 | H12 | 119.3° | 119.1° |
| O02 | C03 | C12 | 117.8° | 118.3° |
| C05 | C10 | C09 | 117.3° | 118.5° |
| C05 | C10 | C11 | 118.6° | 121.9° |
| C03 | C12 | C11 | 120.4° | 123.4° |
| C03 | C12 | O13 | 118.9° | 118.3° |
| N08 | C09 | C10 | 121.7° | 118.9° |
| N08 | C09 | N15 | 115.2° | 120.5° |
| C09 | C10 | C11 | 124.1° | 119.6° |
| C10 | C09 | N15 | 123.1° | 120.5° |
| C10 | C11 | C12 | 121.1° | 111.4° |
| C10 | C11 | H13 | 106.5° | 109.1° |
| C10 | C11 | H14 | 106.5° | 109.1° |
| C11 | C12 | O13 | 120.7° | 118.3° |
| C12 | C11 | H13 | 106.5° | 109.1° |
| C12 | C11 | H14 | 106.5° | 109.0° |
| C12 | O13 | C14 | 113.7° | 117.0° |
| C09 | N15 | C20 | 127.7° | 111.0° |
| C09 | N15 | C16 | 119.4° | 111.0° |
| O13 | C14 | H15 | 109.5° | 109.5° |
| O13 | C14 | H16 | 109.5° | 109.5° |
| O13 | C14 | H17 | 109.5° | 109.5° |
| C20 | N15 | C16 | 112.4° | 111.2° |
| N15 | C20 | C19 | 112.9° | 109.5° |
| N15 | C20 | H3 | 108.6° | 109.5° |
| N15 | C20 | H4 | 108.6° | 109.5° |
| N15 | C16 | C17 | 106.4° | 109.5° |
| N15 | C16 | H18 | 110.2° | 109.4° |
| N15 | C16 | H19 | 110.2° | 109.4° |
| C20 | C19 | C18 | 109.4° | 109.3° |
| C19 | C20 | H3 | 108.6° | 109.4° |
| C19 | C20 | H4 | 108.6° | 109.5° |
| C20 | C19 | H21 | 109.5° | 109.5° |
| C20 | C19 | H22 | 109.5° | 109.5° |
| C16 | C17 | C18 | 115.2° | 109.3° |
| C16 | C17 | H1 | 108.0° | 109.5° |
| C16 | C17 | H2 | 108.0° | 109.5° |
| C17 | C16 | H18 | 110.2° | 109.5° |
| C17 | C16 | H19 | 110.2° | 109.5° |
| C19 | C18 | C17 | 113.6° | 109.2° |
| C19 | C18 | C21 | 111.1° | 109.6° |
| C19 | C18 | H20 | 108.8° | 109.5° |
| C18 | C19 | H21 | 109.5° | 109.5° |
| C18 | C19 | H22 | 109.5° | 109.5° |
| C17 | C18 | C21 | 106.4° | 109.6° |
| C18 | C17 | H1 | 108.0° | 109.5° |
| C18 | C17 | H2 | 108.0° | 109.6° |
| C17 | C18 | H20 | 109.0° | 109.5° |
| C18 | C21 | N22 | 110.6° | 109.5° |
| C18 | C21 | H5 | 109.2° | 109.4° |
| C18 | C21 | H6 | 109.2° | 109.5° |
| C21 | C18 | H20 | 107.8° | 109.6° |
| C21 | N22 | S23 | 112.9° | 120.0° |
| N22 | C21 | H5 | 109.2° | 109.4° |
| N22 | C21 | H6 | 109.2° | 109.5° |
| C21 | N22 | H23 | 108.6° | 119.9° |
| N22 | S23 | O25 | 110.8° | 106.4° |
| N22 | S23 | O24 | 106.6° | 106.4° |
| N22 | S23 | N26 | 109.8° | 107.3° |
| S23 | N22 | H23 | 108.6° | 120.1° |
| O25 | S23 | O24 | 108.0° | 123.1° |
| O25 | S23 | N26 | 107.9° | 106.4° |
| O24 | S23 | N26 | 113.7° | 106.4° |
| S23 | N26 | H24 | 109.5° | 120.0° |
| S23 | N26 | H25 | 109.5° | 120.0° |
| H1 | C17 | H2 | 109.5° | 109.5° |
| H3 | C20 | H4 | 109.5° | 109.5° |
| H5 | C21 | H6 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.4° | 109.5° |
| H10 | C04 | H11 | 109.5° | 109.0° |
| H13 | C11 | H14 | 109.5° | 109.1° |
| H15 | C14 | H16 | 109.5° | 109.4° |
| H15 | C14 | H17 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.4° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| H21 | C19 | H22 | 109.5° | 109.5° |
| H24 | N26 | H25 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O02 | C03 | C04 | 8.8° | 65.8° |
| C01 | O02 | C03 | C12 | 169.8° | 114.5° |
| O02 | C01 | H7 | H8 | 120.0° | 120.0° |
| O02 | C01 | H7 | H9 | 120.0° | 120.0° |
| O02 | C01 | H8 | H9 | 120.0° | 119.9° |
| C07 | N06 | C05 | C04 | 179.3° | 180.0° |
| N06 | C07 | N08 | H12 | 180.0° | 179.9° |
| C07 | N06 | C05 | C10 | 0.7° | 0.0° |
| N06 | C07 | N08 | C09 | 1.4° | 0.0° |
| N06 | C05 | C04 | C10 | 180.0° | 180.0° |
| N06 | C05 | C04 | C03 | 179.7° | 159.7° |
| C05 | N06 | C07 | N08 | 0.1° | 0.0° |
| N06 | C05 | C10 | C09 | 0.2° | 0.0° |
| N06 | C05 | C10 | C11 | 179.9° | 179.7° |
| N06 | C05 | C04 | H10 | 58.3° | 79.7° |
| N06 | C05 | C04 | H11 | 58.8° | 39.2° |
| C05 | N06 | C07 | H12 | 179.9° | 179.9° |
| C05 | C04 | C03 | H10 | 121.4° | 120.6° |
| C05 | C04 | C03 | H11 | 121.5° | 120.5° |
| C05 | C04 | C03 | O02 | 178.1° | 159.3° |
| C05 | C04 | C03 | C12 | 0.4° | 20.4° |
| C04 | C05 | C10 | C09 | 179.8° | 180.0° |
| C04 | C05 | C10 | C11 | 0.1° | 0.3° |
| C05 | C04 | H10 | H11 | 115.3° | 119.0° |
| C04 | C03 | O02 | C12 | 178.5° | 179.7° |
| C03 | C04 | C05 | C10 | 0.3° | 20.3° |
| C04 | C03 | C12 | C11 | 0.4° | 0.3° |
| C04 | C03 | C12 | O13 | 179.5° | 180.0° |
| C03 | C04 | H10 | H11 | 115.3° | 118.9° |
| C07 | N08 | C09 | C10 | 1.9° | 0.0° |
| C07 | N08 | C09 | N15 | 177.7° | 179.7° |
| O02 | C03 | C12 | C11 | 178.1° | 180.0° |
| O02 | C03 | C12 | O13 | 1.9° | 0.3° |
| C03 | O02 | C01 | H7 | 180.0° | 65.5° |
| C03 | O02 | C01 | H8 | 60.0° | 54.5° |
| C03 | O02 | C01 | H9 | 60.0° | 174.5° |
| O02 | C03 | C04 | H10 | 56.7° | 80.1° |
| O02 | C03 | C04 | H11 | 60.4° | 38.8° |
| C05 | C10 | C09 | N08 | 1.1° | 0.0° |
| C05 | C10 | C09 | C11 | 179.7° | 179.8° |
| C05 | C10 | C11 | C12 | 0.1° | 20.0° |
| C05 | C10 | C09 | N15 | 178.4° | 179.7° |
| C10 | C05 | C04 | H10 | 121.7° | 100.3° |
| C10 | C05 | C04 | H11 | 121.2° | 140.8° |
| C05 | C10 | C11 | H13 | 121.7° | 100.5° |
| C05 | C10 | C11 | H14 | 121.5° | 140.4° |
| C03 | C12 | C11 | C10 | 0.3° | 20.6° |
| C03 | C12 | C11 | O13 | 179.9° | 179.7° |
| C03 | C12 | O13 | C14 | 167.5° | 114.4° |
| C12 | C03 | C04 | H10 | 121.9° | 100.2° |
| C12 | C03 | C04 | H11 | 121.0° | 140.9° |
| C03 | C12 | C11 | H13 | 121.9° | 99.9° |
| C03 | C12 | C11 | H14 | 121.3° | 141.1° |
| N08 | C09 | C10 | N15 | 179.5° | 179.7° |
| N08 | C09 | C10 | C11 | 178.5° | 179.7° |
| N08 | C09 | N15 | C20 | 160.8° | 62.9° |
| N08 | C09 | N15 | C16 | 28.3° | 61.3° |
| C09 | N08 | C07 | H12 | 178.6° | 179.9° |
| C09 | C10 | C11 | C12 | 179.8° | 159.8° |
| C10 | C09 | N15 | C20 | 18.8° | 116.8° |
| C10 | C09 | N15 | C16 | 152.1° | 119.0° |
| C09 | C10 | C11 | H13 | 58.6° | 79.7° |
| C09 | C10 | C11 | H14 | 58.2° | 39.4° |
| C10 | C11 | C12 | H13 | 121.6° | 120.5° |
| C10 | C11 | C12 | H14 | 121.6° | 120.5° |
| C10 | C11 | C12 | O13 | 179.6° | 159.7° |
| C11 | C10 | C09 | N15 | 1.9° | 0.1° |
| C10 | C11 | H13 | H14 | 114.8° | 119.1° |
| C11 | C12 | O13 | C14 | 12.6° | 65.3° |
| C12 | C11 | H13 | H14 | 114.8° | 119.0° |
| O13 | C12 | C11 | H13 | 58.0° | 79.9° |
| O13 | C12 | C11 | H14 | 58.8° | 39.2° |
| C12 | O13 | C14 | H15 | 180.0° | 54.5° |
| C12 | O13 | C14 | H16 | 60.0° | 65.5° |
| C12 | O13 | C14 | H17 | 60.0° | 174.5° |
| C09 | N15 | C20 | C16 | 171.5° | 124.1° |
| C09 | N15 | C20 | C19 | 176.1° | 174.2° |
| C09 | N15 | C16 | C17 | 128.4° | 174.2° |
| C09 | N15 | C20 | H3 | 63.4° | 65.8° |
| C09 | N15 | C20 | H4 | 55.6° | 54.2° |
| C09 | N15 | C16 | H18 | 112.1° | 65.8° |
| C09 | N15 | C16 | H19 | 8.9° | 54.1° |
| O13 | C14 | H15 | H16 | 120.0° | 120.0° |
| O13 | C14 | H15 | H17 | 120.0° | 120.0° |
| O13 | C14 | H16 | H17 | 120.0° | 120.0° |
| N15 | C20 | C19 | H3 | 120.5° | 120.0° |
| N15 | C20 | C19 | H4 | 120.5° | 120.0° |
| C20 | N15 | C16 | C17 | 43.8° | 61.7° |
| N15 | C20 | C19 | C18 | 57.7° | 59.2° |
| N15 | C20 | H3 | H4 | 118.4° | 120.0° |
| C20 | N15 | C16 | H18 | 75.7° | 58.3° |
| C20 | N15 | C16 | H19 | 163.3° | 178.2° |
| N15 | C20 | C19 | H21 | 177.7° | 179.1° |
| N15 | C20 | C19 | H22 | 62.3° | 60.7° |
| C16 | N15 | C20 | C19 | 12.4° | 61.8° |
| N15 | C16 | C17 | H18 | 119.5° | 120.0° |
| N15 | C16 | C17 | H19 | 119.5° | 120.0° |
| N15 | C16 | C17 | C18 | 63.7° | 59.1° |
| N15 | C16 | C17 | H1 | 175.4° | 60.8° |
| N15 | C16 | C17 | H2 | 57.1° | 179.2° |
| C16 | N15 | C20 | H3 | 108.1° | 58.2° |
| C16 | N15 | C20 | H4 | 132.9° | 178.2° |
| N15 | C16 | H18 | H19 | 121.4° | 119.9° |
| C20 | C19 | C18 | H21 | 120.0° | 120.0° |
| C20 | C19 | C18 | H22 | 120.0° | 119.9° |
| C20 | C19 | C18 | C17 | 40.6° | 57.6° |
| C20 | C19 | C18 | C21 | 160.6° | 177.6° |
| C19 | C20 | H3 | H4 | 118.4° | 120.0° |
| C20 | C19 | C18 | H20 | 80.9° | 62.2° |
| C20 | C19 | H21 | H22 | 120.0° | 120.1° |
| C16 | C17 | C18 | C19 | 18.9° | 57.6° |
| C16 | C17 | C18 | H1 | 120.8° | 119.9° |
| C16 | C17 | C18 | H2 | 120.8° | 120.0° |
| C16 | C17 | C18 | C21 | 103.6° | 177.6° |
| C16 | C17 | H1 | H2 | 117.4° | 120.0° |
| C17 | C16 | H18 | H19 | 121.4° | 120.1° |
| C16 | C17 | C18 | H20 | 140.4° | 62.3° |
| C19 | C18 | C17 | C21 | 122.5° | 120.0° |
| C19 | C18 | C17 | H20 | 121.5° | 119.9° |
| C19 | C18 | C21 | H20 | 119.1° | 120.2° |
| C19 | C18 | C21 | N22 | 87.4° | 65.3° |
| C19 | C18 | C17 | H1 | 139.8° | 62.3° |
| C19 | C18 | C17 | H2 | 101.9° | 177.6° |
| C18 | C19 | C20 | H3 | 62.8° | 60.8° |
| C18 | C19 | C20 | H4 | 178.2° | 179.2° |
| C19 | C18 | C21 | H5 | 32.7° | 54.7° |
| C19 | C18 | C21 | H6 | 152.4° | 174.7° |
| C18 | C19 | H21 | H22 | 120.0° | 120.0° |
| C17 | C18 | C21 | H20 | 116.8° | 120.1° |
| C17 | C18 | C21 | N22 | 148.5° | 175.0° |
| C18 | C17 | H1 | H2 | 117.4° | 120.1° |
| C17 | C18 | C21 | H5 | 91.4° | 65.0° |
| C17 | C18 | C21 | H6 | 28.3° | 55.0° |
| C18 | C17 | C16 | H18 | 55.8° | 60.8° |
| C18 | C17 | C16 | H19 | 176.8° | 179.2° |
| C17 | C18 | C19 | H21 | 160.6° | 177.6° |
| C17 | C18 | C19 | H22 | 79.3° | 62.3° |
| C18 | C21 | N22 | H5 | 120.2° | 120.0° |
| C18 | C21 | N22 | H6 | 120.2° | 120.0° |
| C18 | C21 | N22 | S23 | 125.0° | 165.0° |
| C21 | C18 | C17 | H1 | 17.3° | 57.7° |
| C21 | C18 | C17 | H2 | 135.6° | 62.5° |
| C18 | C21 | H5 | H6 | 119.5° | 120.0° |
| C21 | C18 | C19 | H21 | 79.4° | 62.4° |
| C21 | C18 | C19 | H22 | 40.6° | 57.6° |
| C18 | C21 | N22 | H23 | 4.4° | 15.0° |
| C21 | N22 | S23 | H23 | 120.5° | 179.9° |
| C21 | N22 | S23 | O25 | 61.1° | 48.6° |
| C21 | N22 | S23 | O24 | 56.1° | 178.6° |
| C21 | N22 | S23 | N26 | 179.8° | 65.0° |
| N22 | C21 | H5 | H6 | 119.5° | 120.0° |
| N22 | C21 | C18 | H20 | 31.7° | 54.9° |
| N22 | S23 | O25 | O24 | 116.4° | 122.9° |
| N22 | S23 | O25 | N26 | 120.2° | 114.2° |
| N22 | S23 | O24 | N26 | 121.2° | 114.2° |
| S23 | N22 | C21 | H5 | 114.9° | 45.0° |
| S23 | N22 | C21 | H6 | 4.8° | 75.0° |
| N22 | S23 | N26 | H24 | 180.0° | 0.1° |
| N22 | S23 | N26 | H25 | 60.0° | 180.0° |
| O25 | S23 | O24 | N26 | 119.7° | 123.0° |
| O25 | S23 | N22 | H23 | 178.4° | 131.5° |
| O25 | S23 | N26 | H24 | 59.1° | 113.6° |
| O25 | S23 | N26 | H25 | 179.2° | 66.5° |
| O24 | S23 | N22 | H23 | 64.4° | 1.4° |
| O24 | S23 | N26 | H24 | 60.6° | 113.5° |
| O24 | S23 | N26 | H25 | 59.4° | 66.4° |
| N26 | S23 | N22 | H23 | 59.3° | 115.0° |
| S23 | N26 | H24 | H25 | 120.0° | 179.9° |
| H1 | C17 | C16 | H18 | 65.1° | 179.3° |
| H1 | C17 | C16 | H19 | 55.9° | 59.2° |
| H1 | C17 | C18 | H20 | 98.8° | 177.8° |
| H2 | C17 | C16 | H18 | 176.6° | 59.2° |
| H2 | C17 | C16 | H19 | 62.4° | 60.8° |
| H2 | C17 | C18 | H20 | 19.6° | 57.7° |
| H3 | C20 | C19 | H21 | 57.2° | 59.1° |
| H3 | C20 | C19 | H22 | 177.2° | 179.3° |
| H4 | C20 | C19 | H21 | 61.8° | 60.9° |
| H4 | C20 | C19 | H22 | 58.2° | 59.3° |
| H5 | C21 | C18 | H20 | 151.9° | 174.8° |
| H5 | C21 | N22 | H23 | 124.6° | 135.0° |
| H6 | C21 | C18 | H20 | 88.4° | 65.1° |
| H6 | C21 | N22 | H23 | 115.8° | 105.0° |
| H7 | C01 | H8 | H9 | 120.0° | 120.0° |
| H15 | C14 | H16 | H17 | 120.0° | 120.0° |
| H20 | C18 | C19 | H21 | 39.1° | 57.7° |
| H20 | C18 | C19 | H22 | 159.1° | 177.8° |
