S7T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C22 | doub | 1.21Å | 1.18Å | |
| O25 | N24 | sing | 1.42Å | 1.43Å | |
| C22 | N24 | sing | 1.35Å | 1.43Å | |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C21 | C20 | sing | 1.53Å | 1.58Å | |
| C20 | C19 | sing | 1.51Å | 1.57Å | |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.42Å | Aromatic |
| C19 | C26 | sing | 1.38Å | 1.42Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C26 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | N14 | sing | 1.40Å | 1.43Å | |
| N14 | C12 | sing | 1.35Å | 1.45Å | |
| C12 | O13 | doub | 1.22Å | 1.19Å | |
| C12 | C11 | sing | 1.47Å | 1.52Å | |
| N01 | C11 | sing | 1.38Å | 1.35Å | Aromatic |
| N01 | C02 | sing | 1.34Å | 1.37Å | Aromatic |
| C11 | C08 | doub | 1.36Å | 1.41Å | Aromatic |
| C02 | C03 | sing | 1.51Å | 1.51Å | |
| C02 | C04 | doub | 1.39Å | 1.41Å | Aromatic |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C08 | C04 | sing | 1.42Å | 1.40Å | Aromatic |
| C08 | C09 | sing | 1.51Å | 1.57Å | |
| C04 | C05 | sing | 1.47Å | 1.55Å | |
| C05 | O06 | doub | 1.21Å | 1.18Å | |
| C05 | C07 | sing | 1.51Å | 1.54Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.08Å | 1.08Å | |
| N01 | H20 | sing | 0.97Å | 1.00Å | |
| N14 | H21 | sing | 0.97Å | 1.00Å | |
| N24 | H22 | sing | 0.97Å | 1.00Å | |
| O25 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | C22 | N24 | 121.9° | 120.0° |
| O23 | C22 | C21 | 121.0° | 120.0° |
| O25 | N24 | C22 | 118.1° | 120.0° |
| O25 | N24 | H22 | 120.9° | 120.0° |
| N24 | O25 | H23 | 109.5° | 114.0° |
| N24 | C22 | C21 | 117.1° | 120.0° |
| C22 | N24 | H22 | 121.0° | 120.0° |
| C22 | C21 | C20 | 109.2° | 109.5° |
| C22 | C21 | H17 | 109.5° | 109.5° |
| C22 | C21 | H18 | 109.5° | 109.4° |
| C21 | C20 | C19 | 108.6° | 109.5° |
| C21 | C20 | H15 | 109.7° | 109.5° |
| C21 | C20 | H16 | 109.7° | 109.5° |
| C20 | C21 | H17 | 109.6° | 109.4° |
| C20 | C21 | H18 | 109.6° | 109.5° |
| C20 | C19 | C18 | 120.9° | 119.9° |
| C20 | C19 | C26 | 117.2° | 120.0° |
| C19 | C20 | H15 | 109.7° | 109.4° |
| C19 | C20 | H16 | 109.7° | 109.5° |
| C19 | C18 | C17 | 119.2° | 120.2° |
| C18 | C19 | C26 | 121.9° | 120.1° |
| C19 | C18 | H14 | 120.4° | 119.9° |
| C18 | C17 | C16 | 118.8° | 120.0° |
| C18 | C17 | H13 | 120.6° | 120.0° |
| C17 | C18 | H14 | 120.4° | 119.9° |
| C19 | C26 | C15 | 118.8° | 119.9° |
| C19 | C26 | H19 | 120.6° | 120.0° |
| C17 | C16 | C15 | 120.5° | 119.9° |
| C17 | C16 | H12 | 119.7° | 120.0° |
| C16 | C17 | H13 | 120.6° | 120.0° |
| C26 | C15 | C16 | 120.6° | 119.9° |
| C26 | C15 | N14 | 115.7° | 120.1° |
| C15 | C26 | H19 | 120.6° | 120.0° |
| C16 | C15 | N14 | 123.0° | 120.0° |
| C15 | C16 | H12 | 119.8° | 120.1° |
| C15 | N14 | C12 | 127.1° | 120.0° |
| C15 | N14 | H21 | 116.4° | 120.0° |
| N14 | C12 | O13 | 123.8° | 120.0° |
| N14 | C12 | C11 | 110.3° | 120.0° |
| C12 | N14 | H21 | 116.5° | 120.0° |
| O13 | C12 | C11 | 125.9° | 120.0° |
| C12 | C11 | N01 | 122.6° | 125.8° |
| C12 | C11 | C08 | 127.7° | 125.8° |
| C11 | N01 | C02 | 107.5° | 109.3° |
| N01 | C11 | C08 | 109.6° | 108.4° |
| C11 | N01 | H20 | 126.2° | 125.3° |
| N01 | C02 | C03 | 121.3° | 125.8° |
| N01 | C02 | C04 | 110.4° | 108.3° |
| C02 | N01 | H20 | 126.3° | 125.3° |
| C11 | C08 | C04 | 107.1° | 107.0° |
| C11 | C08 | C09 | 124.0° | 126.5° |
| C03 | C02 | C04 | 128.3° | 125.9° |
| C02 | C03 | H4 | 109.5° | 109.5° |
| C02 | C03 | H5 | 109.5° | 109.5° |
| C02 | C03 | H6 | 109.5° | 109.5° |
| C02 | C04 | C08 | 105.3° | 107.0° |
| C02 | C04 | C05 | 128.2° | 126.5° |
| C10 | C09 | C08 | 112.6° | 109.5° |
| C09 | C10 | H1 | 109.5° | 109.5° |
| C09 | C10 | H2 | 109.5° | 109.5° |
| C09 | C10 | H3 | 109.5° | 109.5° |
| C10 | C09 | H10 | 108.7° | 109.5° |
| C10 | C09 | H11 | 108.7° | 109.5° |
| C04 | C08 | C09 | 128.8° | 126.5° |
| C08 | C04 | C05 | 126.5° | 126.5° |
| C08 | C09 | H10 | 108.7° | 109.4° |
| C08 | C09 | H11 | 108.7° | 109.5° |
| C04 | C05 | O06 | 117.2° | 120.0° |
| C04 | C05 | C07 | 125.8° | 120.0° |
| O06 | C05 | C07 | 117.0° | 120.0° |
| C05 | C07 | H7 | 109.5° | 109.5° |
| C05 | C07 | H8 | 109.5° | 109.4° |
| C05 | C07 | H9 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H1 | C10 | H3 | 109.5° | 109.5° |
| H2 | C10 | H3 | 109.4° | 109.5° |
| H4 | C03 | H5 | 109.5° | 109.5° |
| H4 | C03 | H6 | 109.5° | 109.5° |
| H5 | C03 | H6 | 109.4° | 109.4° |
| H7 | C07 | H8 | 109.5° | 109.5° |
| H7 | C07 | H9 | 109.5° | 109.5° |
| H8 | C07 | H9 | 109.5° | 109.5° |
| H10 | C09 | H11 | 109.4° | 109.5° |
| H15 | C20 | H16 | 109.4° | 109.5° |
| H17 | C21 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C22 | N24 | O25 | 2.0° | 0.0° |
| O23 | C22 | N24 | C21 | 179.1° | 180.0° |
| O23 | C22 | C21 | C20 | 63.7° | 0.0° |
| O23 | C22 | C21 | H17 | 56.3° | 120.0° |
| O23 | C22 | C21 | H18 | 176.4° | 120.0° |
| O23 | C22 | N24 | H22 | 178.0° | 180.0° |
| O25 | N24 | C22 | H22 | 180.0° | 180.0° |
| O25 | N24 | C22 | C21 | 177.1° | 179.9° |
| N24 | C22 | C21 | C20 | 115.4° | 180.0° |
| N24 | C22 | C21 | H17 | 124.6° | 60.0° |
| N24 | C22 | C21 | H18 | 4.5° | 60.0° |
| C22 | N24 | O25 | H23 | 0.9° | 180.0° |
| C22 | C21 | C20 | H17 | 119.9° | 120.0° |
| C22 | C21 | C20 | H18 | 119.9° | 120.0° |
| C22 | C21 | C20 | C19 | 171.1° | 179.9° |
| C22 | C21 | C20 | H15 | 51.2° | 60.0° |
| C22 | C21 | C20 | H16 | 69.1° | 60.0° |
| C22 | C21 | H17 | H18 | 120.1° | 120.0° |
| C21 | C22 | N24 | H22 | 2.9° | 0.0° |
| C21 | C20 | C19 | H15 | 119.9° | 120.0° |
| C21 | C20 | C19 | H16 | 119.9° | 120.0° |
| C21 | C20 | C19 | C18 | 95.4° | 90.0° |
| C21 | C20 | C19 | C26 | 85.1° | 89.7° |
| C21 | C20 | H15 | H16 | 120.4° | 120.0° |
| C20 | C21 | H17 | H18 | 120.2° | 120.0° |
| C20 | C19 | C18 | C26 | 179.4° | 179.7° |
| C20 | C19 | C18 | C17 | 179.5° | 180.0° |
| C20 | C19 | C26 | C15 | 177.9° | 179.8° |
| C20 | C19 | C18 | H14 | 0.5° | 0.3° |
| C19 | C20 | H15 | H16 | 120.4° | 120.0° |
| C19 | C20 | C21 | H17 | 69.0° | 60.0° |
| C19 | C20 | C21 | H18 | 51.1° | 60.0° |
| C20 | C19 | C26 | H19 | 2.1° | 0.3° |
| C19 | C18 | C17 | H14 | 180.0° | 179.7° |
| C19 | C18 | C17 | C16 | 0.9° | 0.1° |
| C18 | C19 | C26 | C15 | 1.6° | 0.5° |
| C19 | C18 | C17 | H13 | 179.1° | 180.0° |
| C18 | C19 | C20 | H15 | 144.7° | 150.0° |
| C18 | C19 | C20 | H16 | 24.5° | 30.0° |
| C18 | C19 | C26 | H19 | 178.4° | 180.0° |
| C17 | C18 | C19 | C26 | 0.1° | 0.2° |
| C18 | C17 | C16 | H13 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 3.6° | 0.1° |
| C18 | C17 | C16 | H12 | 176.4° | 180.0° |
| C19 | C26 | C15 | H19 | 180.0° | 179.5° |
| C19 | C26 | C15 | C16 | 4.2° | 0.5° |
| C19 | C26 | C15 | N14 | 175.2° | 179.8° |
| C26 | C19 | C18 | H14 | 179.9° | 179.9° |
| C26 | C19 | C20 | H15 | 34.8° | 30.3° |
| C26 | C19 | C20 | H16 | 155.0° | 150.3° |
| C17 | C16 | C15 | C26 | 5.3° | 0.2° |
| C17 | C16 | C15 | H12 | 180.0° | 180.0° |
| C17 | C16 | C15 | N14 | 175.6° | 179.9° |
| C16 | C17 | C18 | H14 | 179.1° | 179.6° |
| C26 | C15 | C16 | N14 | 170.3° | 179.7° |
| C26 | C15 | N14 | C12 | 175.4° | 145.2° |
| C26 | C15 | C16 | H12 | 174.7° | 179.8° |
| C26 | C15 | N14 | H21 | 4.6° | 34.8° |
| C16 | C15 | N14 | C12 | 13.9° | 35.1° |
| C15 | C16 | C17 | H13 | 176.5° | 180.0° |
| C16 | C15 | C26 | H19 | 175.8° | 180.0° |
| C16 | C15 | N14 | H21 | 166.1° | 144.9° |
| C15 | N14 | C12 | H21 | 180.0° | 180.0° |
| C15 | N14 | C12 | O13 | 5.1° | 4.6° |
| C15 | N14 | C12 | C11 | 172.4° | 175.3° |
| N14 | C15 | C16 | H12 | 4.4° | 0.0° |
| N14 | C15 | C26 | H19 | 4.8° | 0.3° |
| N14 | C12 | O13 | C11 | 177.1° | 180.0° |
| N14 | C12 | C11 | N01 | 4.6° | 0.3° |
| N14 | C12 | C11 | C08 | 170.4° | 180.0° |
| O13 | C12 | C11 | N01 | 178.0° | 179.7° |
| O13 | C12 | C11 | C08 | 7.0° | 0.0° |
| O13 | C12 | N14 | H21 | 174.9° | 175.4° |
| C12 | C11 | N01 | C08 | 175.8° | 179.7° |
| C12 | C11 | N01 | C02 | 179.3° | 179.8° |
| C12 | C11 | C08 | C04 | 177.8° | 180.0° |
| C12 | C11 | C08 | C09 | 2.3° | 0.0° |
| C12 | C11 | N01 | H20 | 0.8° | 0.3° |
| C11 | C12 | N14 | H21 | 7.6° | 4.6° |
| C11 | N01 | C02 | H20 | 180.0° | 180.0° |
| C11 | N01 | C02 | C03 | 177.6° | 179.9° |
| C11 | N01 | C02 | C04 | 3.4° | 0.2° |
| N01 | C11 | C08 | C04 | 2.2° | 0.2° |
| N01 | C11 | C08 | C09 | 177.8° | 179.7° |
| C02 | N01 | C11 | C08 | 3.4° | 0.0° |
| N01 | C02 | C03 | C04 | 178.8° | 179.7° |
| N01 | C02 | C04 | C08 | 1.9° | 0.3° |
| N01 | C02 | C04 | C05 | 178.6° | 179.6° |
| N01 | C02 | C03 | H4 | 90.5° | 85.4° |
| N01 | C02 | C03 | H5 | 149.5° | 34.7° |
| N01 | C02 | C03 | H6 | 29.5° | 154.6° |
| C11 | C08 | C04 | C02 | 0.2° | 0.3° |
| C11 | C08 | C09 | C10 | 80.5° | 90.0° |
| C11 | C08 | C04 | C09 | 179.9° | 180.0° |
| C11 | C08 | C04 | C05 | 179.3° | 179.6° |
| C11 | C08 | C09 | H10 | 40.0° | 30.0° |
| C11 | C08 | C09 | H11 | 159.0° | 150.0° |
| C08 | C11 | N01 | H20 | 176.6° | 180.0° |
| C03 | C02 | C04 | C08 | 179.1° | 180.0° |
| C03 | C02 | C04 | C05 | 0.4° | 0.1° |
| C02 | C03 | H4 | H5 | 120.0° | 120.1° |
| C02 | C03 | H4 | H6 | 120.0° | 120.0° |
| C02 | C03 | H5 | H6 | 120.0° | 120.0° |
| C03 | C02 | N01 | H20 | 2.4° | 0.1° |
| C02 | C04 | C08 | C05 | 179.5° | 179.9° |
| C02 | C04 | C08 | C09 | 179.9° | 179.6° |
| C02 | C04 | C05 | O06 | 176.5° | 85.0° |
| C02 | C04 | C05 | C07 | 2.1° | 94.9° |
| C04 | C02 | C03 | H4 | 90.6° | 94.9° |
| C04 | C02 | C03 | H5 | 29.4° | 145.0° |
| C04 | C02 | C03 | H6 | 149.3° | 25.1° |
| C04 | C02 | N01 | H20 | 176.6° | 179.8° |
| C10 | C09 | C08 | C04 | 99.6° | 90.0° |
| C10 | C09 | C08 | H10 | 120.5° | 120.0° |
| C10 | C09 | C08 | H11 | 120.5° | 120.0° |
| C09 | C10 | H1 | H2 | 120.0° | 120.0° |
| C09 | C10 | H1 | H3 | 120.0° | 120.0° |
| C09 | C10 | H2 | H3 | 120.0° | 120.0° |
| C10 | C09 | H10 | H11 | 118.6° | 120.0° |
| C08 | C04 | C05 | O06 | 4.1° | 95.1° |
| C08 | C04 | C05 | C07 | 177.2° | 85.0° |
| C04 | C08 | C09 | H10 | 139.9° | 150.0° |
| C04 | C08 | C09 | H11 | 20.9° | 30.0° |
| C09 | C08 | C04 | C05 | 0.6° | 0.5° |
| C08 | C09 | C10 | H1 | 180.0° | 180.0° |
| C08 | C09 | C10 | H2 | 60.0° | 60.0° |
| C08 | C09 | C10 | H3 | 60.0° | 60.0° |
| C08 | C09 | H10 | H11 | 118.5° | 120.0° |
| C04 | C05 | O06 | C07 | 178.8° | 180.0° |
| C04 | C05 | C07 | H7 | 178.7° | 55.0° |
| C04 | C05 | C07 | H8 | 58.7° | 175.0° |
| C04 | C05 | C07 | H9 | 61.3° | 65.0° |
| O06 | C05 | C07 | H7 | 0.0° | 125.0° |
| O06 | C05 | C07 | H8 | 120.0° | 5.1° |
| O06 | C05 | C07 | H9 | 120.0° | 114.9° |
| C05 | C07 | H7 | H8 | 120.0° | 119.9° |
| C05 | C07 | H7 | H9 | 120.0° | 120.0° |
| C05 | C07 | H8 | H9 | 120.0° | 120.0° |
| H1 | C10 | H2 | H3 | 120.0° | 120.0° |
| H1 | C10 | C09 | H10 | 59.5° | 60.0° |
| H1 | C10 | C09 | H11 | 59.5° | 60.0° |
| H2 | C10 | C09 | H10 | 60.5° | 60.0° |
| H2 | C10 | C09 | H11 | 179.6° | 180.0° |
| H3 | C10 | C09 | H10 | 179.5° | 180.0° |
| H3 | C10 | C09 | H11 | 60.5° | 60.0° |
| H4 | C03 | H5 | H6 | 120.0° | 120.0° |
| H7 | C07 | H8 | H9 | 120.0° | 120.0° |
| H12 | C16 | C17 | H13 | 3.5° | 0.1° |
| H13 | C17 | C18 | H14 | 0.9° | 0.3° |
| H15 | C20 | C21 | H17 | 171.1° | 180.0° |
| H15 | C20 | C21 | H18 | 68.8° | 60.0° |
| H16 | C20 | C21 | H17 | 50.9° | 60.0° |
| H16 | C20 | C21 | H18 | 171.0° | 180.0° |
| H22 | N24 | O25 | H23 | 179.1° | 0.1° |
