TX7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | C9 | doub | 1.22Å | 1.23Å | |
| O18 | N16 | doub | 1.22Å | 1.22Å | |
| N16 | O19 | sing | 1.22Å | 1.38Å | |
| N16 | C15 | sing | 1.48Å | 1.39Å | |
| O22 | C21 | doub | 1.22Å | 1.23Å | |
| C9 | C10 | sing | 1.48Å | 1.50Å | |
| C9 | N8 | sing | 1.35Å | 1.26Å | |
| BR2 | C4 | sing | 1.89Å | 1.86Å | |
| C15 | C10 | doub | 1.40Å | 1.48Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C7 | N8 | sing | 1.46Å | 1.45Å | |
| C6 | C1 | doub | 1.39Å | 1.47Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C25 | sing | 1.48Å | 1.48Å | |
| C21 | O20 | sing | 1.35Å | 1.44Å | |
| C1 | C2 | sing | 1.39Å | 1.47Å | Aromatic |
| C1 | O20 | sing | 1.36Å | 1.41Å | |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C25 | doub | 1.40Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | BR | sing | 1.89Å | 1.89Å | |
| C25 | C26 | sing | 1.40Å | 1.40Å | Aromatic |
| C29 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | BR1 | sing | 1.89Å | 1.88Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| N8 | H5 | sing | 0.97Å | 1.00Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| C30 | H10 | sing | 1.08Å | 1.08Å | |
| C26 | H11 | sing | 1.08Å | 1.08Å | |
| C27 | H12 | sing | 1.08Å | 1.08Å | |
| C29 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | C9 | C10 | 117.7° | 120.0° |
| O17 | C9 | N8 | 122.8° | 120.0° |
| O18 | N16 | O19 | 120.2° | 120.0° |
| O18 | N16 | C15 | 120.3° | 120.0° |
| O19 | N16 | C15 | 119.3° | 120.0° |
| N16 | C15 | C10 | 121.6° | 120.1° |
| N16 | C15 | C14 | 119.0° | 120.1° |
| O22 | C21 | C25 | 122.5° | 120.0° |
| O22 | C21 | O20 | 122.2° | 120.0° |
| C10 | C9 | N8 | 119.5° | 120.0° |
| C9 | C10 | C15 | 123.0° | 120.1° |
| C9 | C10 | C11 | 118.4° | 120.1° |
| C9 | N8 | C7 | 124.8° | 120.0° |
| C9 | N8 | H5 | 117.6° | 120.0° |
| BR2 | C4 | C5 | 118.1° | 120.0° |
| BR2 | C4 | C3 | 117.8° | 119.9° |
| C10 | C15 | C14 | 119.3° | 119.9° |
| C15 | C10 | C11 | 118.6° | 119.7° |
| C15 | C14 | C13 | 119.9° | 120.1° |
| C15 | C14 | H1 | 120.1° | 119.9° |
| C10 | C11 | C12 | 120.0° | 119.8° |
| C10 | C11 | H4 | 120.0° | 120.1° |
| C4 | C5 | C6 | 119.2° | 120.1° |
| C5 | C4 | C3 | 124.1° | 120.1° |
| C4 | C5 | H8 | 120.4° | 119.9° |
| C5 | C6 | C7 | 125.2° | 120.1° |
| C5 | C6 | C1 | 119.4° | 120.0° |
| C6 | C5 | H8 | 120.4° | 120.0° |
| C4 | C3 | C2 | 118.9° | 120.0° |
| C4 | C3 | H9 | 120.5° | 120.0° |
| C14 | C13 | C12 | 120.9° | 120.3° |
| C13 | C14 | H1 | 120.0° | 120.0° |
| C14 | C13 | H2 | 119.6° | 119.8° |
| C6 | C7 | N8 | 114.4° | 109.5° |
| C7 | C6 | C1 | 115.0° | 120.0° |
| C6 | C7 | H6 | 108.2° | 109.5° |
| C6 | C7 | H7 | 108.2° | 109.4° |
| C7 | N8 | H5 | 117.6° | 120.0° |
| N8 | C7 | H6 | 108.2° | 109.5° |
| N8 | C7 | H7 | 108.2° | 109.5° |
| C6 | C1 | C2 | 118.0° | 119.9° |
| C6 | C1 | O20 | 116.3° | 120.1° |
| C11 | C12 | C13 | 121.3° | 120.2° |
| C11 | C12 | H3 | 119.3° | 119.8° |
| C12 | C11 | H4 | 120.0° | 120.1° |
| C3 | C2 | C1 | 119.8° | 119.9° |
| C3 | C2 | BR | 123.6° | 120.0° |
| C2 | C3 | H9 | 120.6° | 120.0° |
| C25 | C21 | O20 | 115.3° | 120.0° |
| C21 | C25 | C30 | 117.5° | 120.1° |
| C21 | C25 | C26 | 120.5° | 120.1° |
| C21 | O20 | C1 | 106.6° | 117.0° |
| C2 | C1 | O20 | 116.1° | 120.1° |
| C1 | C2 | BR | 116.4° | 120.0° |
| C12 | C13 | H2 | 119.6° | 119.8° |
| C13 | C12 | H3 | 119.4° | 120.0° |
| C25 | C30 | C29 | 119.3° | 119.9° |
| C30 | C25 | C26 | 122.0° | 119.7° |
| C25 | C30 | H10 | 120.4° | 120.0° |
| C30 | C29 | C28 | 119.2° | 120.1° |
| C29 | C30 | H10 | 120.4° | 120.1° |
| C30 | C29 | H13 | 120.4° | 120.0° |
| C25 | C26 | C27 | 119.0° | 119.8° |
| C25 | C26 | H11 | 120.5° | 120.1° |
| C29 | C28 | C27 | 122.1° | 120.3° |
| C29 | C28 | BR1 | 116.9° | 119.8° |
| C28 | C29 | H13 | 120.4° | 119.9° |
| C26 | C27 | C28 | 118.4° | 120.2° |
| C27 | C26 | H11 | 120.5° | 120.1° |
| C26 | C27 | H12 | 120.8° | 119.9° |
| C27 | C28 | BR1 | 121.0° | 119.9° |
| C28 | C27 | H12 | 120.8° | 119.9° |
| H6 | C7 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | C9 | C10 | N8 | 178.5° | 180.0° |
| O17 | C9 | C10 | C15 | 59.1° | 6.9° |
| O17 | C9 | C10 | C11 | 118.1° | 173.3° |
| O17 | C9 | N8 | C7 | 1.5° | 0.1° |
| O17 | C9 | N8 | H5 | 178.5° | 180.0° |
| O18 | N16 | O19 | C15 | 175.2° | 179.8° |
| O18 | N16 | C15 | C10 | 148.5° | 51.2° |
| O18 | N16 | C15 | C14 | 34.1° | 129.1° |
| O19 | N16 | C15 | C10 | 36.3° | 128.6° |
| O19 | N16 | C15 | C14 | 141.1° | 51.1° |
| N16 | C15 | C10 | C9 | 4.0° | 0.0° |
| N16 | C15 | C10 | C14 | 177.4° | 179.7° |
| N16 | C15 | C10 | C11 | 178.9° | 179.8° |
| N16 | C15 | C14 | C13 | 178.5° | 180.0° |
| N16 | C15 | C14 | H1 | 1.5° | 0.1° |
| O22 | C21 | C25 | O20 | 178.2° | 179.9° |
| O22 | C21 | O20 | C1 | 4.0° | 0.1° |
| O22 | C21 | C25 | C30 | 48.7° | 179.7° |
| O22 | C21 | C25 | C26 | 133.2° | 0.1° |
| C9 | C10 | C15 | C11 | 177.2° | 179.8° |
| C9 | C10 | C15 | C14 | 178.6° | 179.7° |
| C10 | C9 | N8 | C7 | 176.9° | 180.0° |
| C9 | C10 | C11 | C12 | 178.6° | 179.8° |
| C9 | C10 | C11 | H4 | 1.4° | 0.0° |
| C10 | C9 | N8 | H5 | 3.1° | 0.1° |
| N8 | C9 | C10 | C15 | 122.4° | 173.1° |
| N8 | C9 | C10 | C11 | 60.4° | 6.7° |
| C9 | N8 | C7 | C6 | 87.8° | 179.9° |
| C9 | N8 | C7 | H5 | 180.0° | 179.9° |
| C9 | N8 | C7 | H6 | 32.9° | 60.0° |
| C9 | N8 | C7 | H7 | 151.4° | 60.0° |
| BR2 | C4 | C5 | C3 | 179.4° | 180.0° |
| BR2 | C4 | C5 | C6 | 178.7° | 180.0° |
| BR2 | C4 | C3 | C2 | 178.9° | 180.0° |
| BR2 | C4 | C5 | H8 | 1.3° | 0.0° |
| BR2 | C4 | C3 | H9 | 1.1° | 0.1° |
| C10 | C15 | C14 | C13 | 1.0° | 0.3° |
| C15 | C10 | C11 | C12 | 1.3° | 0.4° |
| C10 | C15 | C14 | H1 | 179.0° | 179.8° |
| C15 | C10 | C11 | H4 | 178.7° | 179.7° |
| C14 | C15 | C10 | C11 | 1.5° | 0.5° |
| C15 | C14 | C13 | H1 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 0.5° | 0.1° |
| C15 | C14 | C13 | H2 | 179.5° | 180.0° |
| C10 | C11 | C12 | H4 | 180.0° | 179.8° |
| C10 | C11 | C12 | C13 | 0.8° | 0.2° |
| C10 | C11 | C12 | H3 | 179.2° | 179.8° |
| C4 | C5 | C6 | H8 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 179.0° | 180.0° |
| C4 | C5 | C6 | C1 | 6.0° | 0.3° |
| C5 | C4 | C3 | C2 | 1.7° | 0.0° |
| C5 | C4 | C3 | H9 | 178.3° | 180.0° |
| C6 | C5 | C4 | C3 | 2.0° | 0.0° |
| C5 | C6 | C7 | C1 | 173.3° | 179.6° |
| C5 | C6 | C7 | N8 | 30.9° | 99.7° |
| C5 | C6 | C1 | C2 | 9.6° | 0.6° |
| C5 | C6 | C1 | O20 | 154.5° | 179.7° |
| C5 | C6 | C7 | H6 | 89.9° | 140.3° |
| C5 | C6 | C7 | H7 | 151.6° | 20.3° |
| C4 | C3 | C2 | H9 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 5.5° | 0.3° |
| C4 | C3 | C2 | BR | 179.9° | 180.0° |
| C3 | C4 | C5 | H8 | 178.1° | 180.0° |
| C14 | C13 | C12 | C11 | 0.3° | 0.0° |
| C14 | C13 | C12 | H2 | 180.0° | 179.9° |
| C14 | C13 | C12 | H3 | 179.7° | 180.0° |
| C6 | C7 | N8 | H6 | 120.7° | 120.0° |
| C6 | C7 | N8 | H7 | 120.7° | 119.9° |
| C7 | C6 | C1 | C2 | 176.7° | 179.8° |
| C7 | C6 | C1 | O20 | 31.8° | 0.1° |
| C6 | C7 | N8 | H5 | 92.2° | 0.0° |
| C6 | C7 | H6 | H7 | 117.7° | 119.9° |
| C7 | C6 | C5 | H8 | 1.0° | 0.1° |
| N8 | C7 | C6 | C1 | 155.9° | 79.9° |
| N8 | C7 | H6 | H7 | 117.7° | 120.1° |
| C6 | C1 | C2 | C3 | 9.4° | 0.6° |
| C6 | C1 | O20 | C21 | 110.8° | 89.9° |
| C6 | C1 | C2 | O20 | 145.0° | 179.7° |
| C6 | C1 | C2 | BR | 175.8° | 179.7° |
| C1 | C6 | C7 | H6 | 83.4° | 40.1° |
| C1 | C6 | C7 | H7 | 35.2° | 160.1° |
| C1 | C6 | C5 | H8 | 174.0° | 179.7° |
| C11 | C12 | C13 | H3 | 180.0° | 180.0° |
| C11 | C12 | C13 | H2 | 179.7° | 180.0° |
| C3 | C2 | C1 | BR | 174.8° | 179.7° |
| C3 | C2 | C1 | O20 | 154.3° | 179.8° |
| C25 | C21 | O20 | C1 | 177.8° | 180.0° |
| C21 | C25 | C30 | C26 | 178.1° | 179.6° |
| C21 | C25 | C30 | C29 | 179.1° | 179.9° |
| C21 | C25 | C26 | C27 | 179.0° | 179.9° |
| C21 | C25 | C30 | H10 | 0.9° | 0.1° |
| C21 | C25 | C26 | H11 | 1.0° | 0.1° |
| C21 | O20 | C1 | C2 | 103.7° | 89.7° |
| O20 | C21 | C25 | C30 | 129.5° | 0.4° |
| O20 | C21 | C25 | C26 | 48.6° | 180.0° |
| C1 | C2 | C3 | H9 | 174.5° | 179.7° |
| O20 | C1 | C2 | BR | 30.8° | 0.0° |
| C12 | C13 | C14 | H1 | 179.5° | 180.0° |
| C13 | C12 | C11 | H4 | 179.2° | 180.0° |
| C25 | C30 | C29 | H10 | 180.0° | 179.9° |
| C25 | C30 | C29 | C28 | 0.4° | 0.1° |
| C30 | C25 | C26 | C27 | 1.0° | 0.3° |
| C30 | C25 | C26 | H11 | 179.0° | 179.7° |
| C25 | C30 | C29 | H13 | 179.6° | 179.9° |
| C29 | C30 | C25 | C26 | 1.0° | 0.3° |
| C30 | C29 | C28 | H13 | 180.0° | 180.0° |
| C30 | C29 | C28 | C27 | 0.2° | 0.3° |
| C30 | C29 | C28 | BR1 | 179.7° | 180.0° |
| BR | C2 | C3 | H9 | 0.1° | 0.1° |
| C25 | C26 | C27 | H11 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.4° | 0.0° |
| C26 | C25 | C30 | H10 | 179.0° | 179.8° |
| C25 | C26 | C27 | H12 | 179.6° | 180.0° |
| C29 | C28 | C27 | C26 | 0.2° | 0.3° |
| C29 | C28 | C27 | BR1 | 179.4° | 179.7° |
| C28 | C29 | C30 | H10 | 179.6° | 180.0° |
| C29 | C28 | C27 | H12 | 179.8° | 179.8° |
| C26 | C27 | C28 | H12 | 180.0° | 180.0° |
| C26 | C27 | C28 | BR1 | 179.7° | 180.0° |
| C28 | C27 | C26 | H11 | 179.6° | 180.0° |
| C27 | C28 | C29 | H13 | 179.8° | 179.8° |
| BR1 | C28 | C27 | H12 | 0.4° | 0.0° |
| BR1 | C28 | C29 | H13 | 0.3° | 0.0° |
| H1 | C14 | C13 | H2 | 0.5° | 0.1° |
| H2 | C13 | C12 | H3 | 0.3° | 0.1° |
| H3 | C12 | C11 | H4 | 0.8° | 0.0° |
| H5 | N8 | C7 | H6 | 147.1° | 120.0° |
| H5 | N8 | C7 | H7 | 28.6° | 119.9° |
| H10 | C30 | C29 | H13 | 0.3° | 0.0° |
| H11 | C26 | C27 | H12 | 0.4° | 0.1° |
