7TW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O24 | N22 | sing | 1.22Å | 1.23Å | |
| O01 | C02 | doub | 1.22Å | 1.28Å | |
| N22 | O23 | doub | 1.22Å | 1.36Å | |
| N22 | C06 | sing | 1.48Å | 1.42Å | |
| C05 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C02 | O03 | sing | 1.35Å | 1.26Å | |
| C02 | C04 | sing | 1.47Å | 1.52Å | |
| C06 | C07 | sing | 1.39Å | 1.38Å | Aromatic |
| C04 | C09 | doub | 1.40Å | 1.40Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.39Å | 1.38Å | Aromatic |
| C09 | N10 | sing | 1.39Å | 1.41Å | |
| N10 | C11 | sing | 1.47Å | 1.43Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C18 | C17 | doub | 1.40Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.37Å | 1.40Å | Aromatic |
| C13 | C17 | sing | 1.46Å | 1.43Å | Aromatic |
| C13 | C14 | doub | 1.34Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.41Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | N15 | sing | 1.37Å | 1.32Å | Aromatic |
| C16 | N15 | sing | 1.38Å | 1.34Å | Aromatic |
| C16 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| N10 | H13 | sing | 0.97Å | 1.00Å | |
| N15 | H14 | sing | 0.97Å | 1.00Å | |
| O03 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O24 | N22 | O23 | 121.3° | 120.0° |
| O24 | N22 | C06 | 119.3° | 120.1° |
| O01 | C02 | O03 | 120.8° | 120.0° |
| O01 | C02 | C04 | 118.5° | 120.0° |
| O23 | N22 | C06 | 119.4° | 120.0° |
| N22 | C06 | C05 | 119.9° | 119.9° |
| N22 | C06 | C07 | 119.7° | 119.8° |
| C06 | C05 | C04 | 119.6° | 120.0° |
| C05 | C06 | C07 | 120.4° | 120.3° |
| C06 | C05 | H3 | 120.2° | 120.0° |
| C05 | C04 | C02 | 118.6° | 120.3° |
| C05 | C04 | C09 | 119.9° | 119.5° |
| C04 | C05 | H3 | 120.2° | 120.0° |
| O03 | C02 | C04 | 120.8° | 120.0° |
| C02 | O03 | H15 | 109.5° | 117.0° |
| C02 | C04 | C09 | 121.5° | 120.2° |
| C06 | C07 | C08 | 120.4° | 120.5° |
| C06 | C07 | H4 | 119.8° | 119.8° |
| C04 | C09 | C08 | 119.9° | 119.7° |
| C04 | C09 | N10 | 120.2° | 120.1° |
| C07 | C08 | C09 | 119.8° | 120.0° |
| C08 | C07 | H4 | 119.8° | 119.8° |
| C07 | C08 | H5 | 120.1° | 119.9° |
| C08 | C09 | N10 | 119.9° | 120.2° |
| C09 | C08 | H5 | 120.1° | 120.0° |
| C09 | N10 | C11 | 120.6° | 120.0° |
| C09 | N10 | H13 | 106.6° | 120.0° |
| N10 | C11 | C12 | 110.8° | 109.5° |
| N10 | C11 | H6 | 109.2° | 109.4° |
| N10 | C11 | H7 | 109.1° | 109.5° |
| C11 | N10 | H13 | 106.6° | 120.0° |
| C11 | C12 | C13 | 113.2° | 109.4° |
| C12 | C11 | H6 | 109.1° | 109.5° |
| C12 | C11 | H7 | 109.1° | 109.5° |
| C11 | C12 | H8 | 108.5° | 109.4° |
| C11 | C12 | H9 | 108.5° | 109.5° |
| C12 | C13 | C17 | 127.8° | 126.5° |
| C12 | C13 | C14 | 126.7° | 126.5° |
| C13 | C12 | H8 | 108.6° | 109.5° |
| C13 | C12 | H9 | 108.5° | 109.5° |
| C17 | C18 | C19 | 118.6° | 119.7° |
| C18 | C17 | C13 | 133.0° | 134.0° |
| C18 | C17 | C16 | 120.4° | 119.9° |
| C17 | C18 | H11 | 120.7° | 120.2° |
| C18 | C19 | C20 | 120.7° | 120.5° |
| C19 | C18 | H11 | 120.7° | 120.1° |
| C18 | C19 | H12 | 119.6° | 119.7° |
| C17 | C13 | C14 | 105.5° | 107.0° |
| C13 | C17 | C16 | 106.5° | 106.0° |
| C13 | C14 | N15 | 109.1° | 109.9° |
| C13 | C14 | H10 | 125.4° | 125.0° |
| C17 | C16 | N15 | 108.0° | 107.2° |
| C17 | C16 | C21 | 120.9° | 119.4° |
| C19 | C20 | C21 | 120.4° | 120.7° |
| C19 | C20 | H1 | 119.8° | 119.6° |
| C20 | C19 | H12 | 119.6° | 119.7° |
| C14 | N15 | C16 | 110.8° | 109.9° |
| N15 | C14 | H10 | 125.5° | 125.1° |
| C14 | N15 | H14 | 124.6° | 125.1° |
| N15 | C16 | C21 | 131.1° | 133.5° |
| C16 | N15 | H14 | 124.6° | 125.1° |
| C16 | C21 | C20 | 119.0° | 119.7° |
| C16 | C21 | H2 | 120.5° | 120.1° |
| C21 | C20 | H1 | 119.8° | 119.7° |
| C20 | C21 | H2 | 120.5° | 120.1° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H8 | C12 | H9 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | N22 | O23 | C06 | 179.6° | 180.0° |
| O24 | N22 | C06 | C05 | 11.9° | 180.0° |
| O24 | N22 | C06 | C07 | 168.3° | 0.0° |
| O01 | C02 | C04 | C05 | 15.6° | 174.2° |
| O01 | C02 | O03 | C04 | 178.9° | 180.0° |
| O01 | C02 | C04 | C09 | 164.4° | 6.1° |
| O01 | C02 | O03 | H15 | 0.0° | 0.0° |
| O23 | N22 | C06 | C05 | 168.5° | 0.0° |
| O23 | N22 | C06 | C07 | 11.3° | 180.0° |
| N22 | C06 | C05 | C07 | 179.8° | 180.0° |
| N22 | C06 | C05 | C04 | 179.6° | 180.0° |
| N22 | C06 | C07 | C08 | 179.6° | 180.0° |
| N22 | C06 | C05 | H3 | 0.4° | 0.0° |
| N22 | C06 | C07 | H4 | 0.3° | 0.0° |
| C06 | C05 | C04 | H3 | 180.0° | 180.0° |
| C06 | C05 | C04 | C02 | 179.5° | 179.9° |
| C06 | C05 | C04 | C09 | 0.5° | 0.2° |
| C05 | C06 | C07 | C08 | 0.6° | 0.0° |
| C05 | C06 | C07 | H4 | 179.5° | 180.0° |
| C05 | C04 | C02 | O03 | 165.4° | 5.8° |
| C05 | C04 | C02 | C09 | 180.0° | 179.7° |
| C04 | C05 | C06 | C07 | 0.6° | 0.0° |
| C05 | C04 | C09 | C08 | 0.4° | 0.5° |
| C05 | C04 | C09 | N10 | 179.7° | 179.7° |
| O03 | C02 | C04 | C09 | 14.6° | 173.9° |
| C02 | C04 | C09 | C08 | 179.6° | 179.8° |
| C02 | C04 | C09 | N10 | 0.3° | 0.0° |
| C02 | C04 | C05 | H3 | 0.5° | 0.1° |
| C04 | C02 | O03 | H15 | 179.0° | 180.0° |
| C06 | C07 | C08 | H4 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 0.5° | 0.2° |
| C07 | C06 | C05 | H3 | 179.4° | 180.0° |
| C06 | C07 | C08 | H5 | 179.5° | 180.0° |
| C04 | C09 | C08 | C07 | 0.4° | 0.5° |
| C04 | C09 | C08 | N10 | 179.3° | 179.8° |
| C04 | C09 | N10 | C11 | 177.5° | 174.5° |
| C09 | C04 | C05 | H3 | 179.5° | 179.8° |
| C04 | C09 | C08 | H5 | 179.6° | 179.7° |
| C04 | C09 | N10 | H13 | 55.9° | 5.5° |
| C07 | C08 | C09 | H5 | 180.0° | 179.8° |
| C07 | C08 | C09 | N10 | 179.7° | 179.7° |
| C08 | C09 | N10 | C11 | 3.2° | 5.7° |
| C09 | C08 | C07 | H4 | 179.6° | 179.8° |
| C08 | C09 | N10 | H13 | 124.8° | 174.3° |
| C09 | N10 | C11 | H13 | 121.6° | 179.9° |
| C09 | N10 | C11 | C12 | 179.0° | 180.0° |
| N10 | C09 | C08 | H5 | 0.3° | 0.1° |
| C09 | N10 | C11 | H6 | 58.8° | 60.0° |
| C09 | N10 | C11 | H7 | 60.8° | 60.0° |
| N10 | C11 | C12 | H6 | 120.2° | 120.0° |
| N10 | C11 | C12 | H7 | 120.2° | 120.0° |
| N10 | C11 | C12 | C13 | 173.5° | 180.0° |
| N10 | C11 | H6 | H7 | 119.4° | 120.0° |
| N10 | C11 | C12 | H8 | 53.0° | 60.1° |
| N10 | C11 | C12 | H9 | 65.9° | 60.0° |
| C11 | C12 | C13 | H8 | 120.6° | 119.9° |
| C11 | C12 | C13 | H9 | 120.6° | 120.0° |
| C11 | C12 | C13 | C17 | 69.3° | 85.0° |
| C11 | C12 | C13 | C14 | 111.2° | 94.7° |
| C12 | C11 | H6 | H7 | 119.4° | 120.0° |
| C11 | C12 | H8 | H9 | 118.3° | 120.0° |
| C12 | C11 | N10 | H13 | 59.4° | 0.1° |
| C12 | C13 | C17 | C18 | 0.4° | 0.3° |
| C12 | C13 | C17 | C14 | 179.6° | 179.8° |
| C12 | C13 | C17 | C16 | 179.5° | 179.8° |
| C12 | C13 | C14 | N15 | 179.6° | 179.8° |
| C13 | C12 | C11 | H6 | 66.2° | 60.0° |
| C13 | C12 | C11 | H7 | 53.4° | 60.0° |
| C13 | C12 | H8 | H9 | 118.3° | 120.0° |
| C12 | C13 | C14 | H10 | 0.4° | 0.2° |
| C17 | C18 | C19 | H11 | 180.0° | 179.9° |
| C18 | C17 | C13 | C16 | 179.1° | 179.9° |
| C18 | C17 | C13 | C14 | 179.2° | 179.9° |
| C17 | C18 | C19 | C20 | 0.3° | 0.1° |
| C18 | C17 | C16 | N15 | 179.4° | 180.0° |
| C18 | C17 | C16 | C21 | 0.8° | 0.1° |
| C17 | C18 | C19 | H12 | 179.7° | 180.0° |
| C19 | C18 | C17 | C13 | 179.5° | 180.0° |
| C19 | C18 | C17 | C16 | 0.5° | 0.1° |
| C18 | C19 | C20 | H12 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.4° | 0.2° |
| C18 | C19 | C20 | H1 | 179.6° | 180.0° |
| C17 | C13 | C14 | N15 | 0.0° | 0.0° |
| C13 | C17 | C16 | N15 | 0.1° | 0.0° |
| C13 | C17 | C16 | C21 | 180.0° | 179.9° |
| C17 | C13 | C12 | H8 | 51.3° | 155.0° |
| C17 | C13 | C12 | H9 | 170.2° | 35.0° |
| C17 | C13 | C14 | H10 | 180.0° | 180.0° |
| C13 | C17 | C18 | H11 | 0.5° | 0.1° |
| C14 | C13 | C17 | C16 | 0.1° | 0.0° |
| C13 | C14 | N15 | H10 | 180.0° | 180.0° |
| C13 | C14 | N15 | C16 | 0.1° | 0.1° |
| C14 | C13 | C12 | H8 | 128.2° | 25.2° |
| C14 | C13 | C12 | H9 | 9.4° | 145.3° |
| C13 | C14 | N15 | H14 | 179.9° | 180.0° |
| C17 | C16 | N15 | C14 | 0.1° | 0.1° |
| C17 | C16 | N15 | C21 | 179.9° | 179.9° |
| C17 | C16 | C21 | C20 | 0.8° | 0.2° |
| C17 | C16 | C21 | H2 | 179.2° | 179.9° |
| C16 | C17 | C18 | H11 | 179.5° | 180.0° |
| C17 | C16 | N15 | H14 | 179.9° | 180.0° |
| C19 | C20 | C21 | C16 | 0.6° | 0.2° |
| C19 | C20 | C21 | H1 | 180.0° | 179.9° |
| C19 | C20 | C21 | H2 | 179.4° | 179.8° |
| C20 | C19 | C18 | H11 | 179.7° | 180.0° |
| C14 | N15 | C16 | H14 | 180.0° | 180.0° |
| C14 | N15 | C16 | C21 | 180.0° | 179.9° |
| N15 | C16 | C21 | C20 | 179.3° | 180.0° |
| N15 | C16 | C21 | H2 | 0.7° | 0.0° |
| C16 | N15 | C14 | H10 | 179.9° | 179.9° |
| C16 | C21 | C20 | H2 | 180.0° | 180.0° |
| C16 | C21 | C20 | H1 | 179.4° | 179.9° |
| C21 | C16 | N15 | H14 | 0.0° | 0.1° |
| C21 | C20 | C19 | H12 | 179.6° | 180.0° |
| H1 | C20 | C21 | H2 | 0.6° | 0.0° |
| H1 | C20 | C19 | H12 | 0.4° | 0.1° |
| H4 | C07 | C08 | H5 | 0.5° | 0.0° |
| H6 | C11 | C12 | H8 | 173.2° | 180.0° |
| H6 | C11 | C12 | H9 | 54.3° | 60.0° |
| H6 | C11 | N10 | H13 | 179.6° | 120.1° |
| H7 | C11 | C12 | H8 | 67.2° | 59.9° |
| H7 | C11 | C12 | H9 | 173.9° | 180.0° |
| H7 | C11 | N10 | H13 | 60.8° | 119.9° |
| H10 | C14 | N15 | H14 | 0.1° | 0.0° |
| H11 | C18 | C19 | H12 | 0.3° | 0.1° |
