T3M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O26 | C24 | sing | 1.35Å | 1.40Å | |
| C24 | O25 | doub | 1.21Å | 1.19Å | |
| C24 | C23 | sing | 1.48Å | 1.53Å | |
| C23 | C22 | sing | 1.40Å | 1.43Å | Aromatic |
| C23 | C27 | doub | 1.40Å | 1.41Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.36Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.36Å | Aromatic |
| C28 | C20 | doub | 1.40Å | 1.48Å | Aromatic |
| C20 | C19 | sing | 1.48Å | 1.52Å | Aromatic |
| C19 | N14 | doub | 1.33Å | 1.35Å | Aromatic |
| C19 | C17 | sing | 1.41Å | 1.44Å | Aromatic |
| N14 | C13 | sing | 1.33Å | 1.31Å | Aromatic |
| C17 | N18 | sing | 1.39Å | 1.44Å | |
| C17 | N16 | doub | 1.33Å | 1.35Å | Aromatic |
| N16 | C15 | sing | 1.32Å | 1.31Å | Aromatic |
| C15 | C13 | doub | 1.39Å | 1.48Å | Aromatic |
| C13 | C12 | sing | 1.48Å | 1.52Å | Aromatic |
| C12 | C4 | sing | 1.39Å | 1.42Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.43Å | Aromatic |
| C11 | C8 | sing | 1.38Å | 1.47Å | Aromatic |
| C8 | O9 | sing | 1.36Å | 1.40Å | |
| C8 | C5 | doub | 1.39Å | 1.36Å | Aromatic |
| O9 | C10 | sing | 1.43Å | 1.40Å | |
| C5 | O6 | sing | 1.36Å | 1.39Å | |
| C5 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| O6 | C7 | sing | 1.43Å | 1.40Å | |
| C3 | O2 | sing | 1.36Å | 1.40Å | |
| O2 | C1 | sing | 1.43Å | 1.40Å | |
| O26 | H26 | sing | 0.97Å | 0.95Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| N18 | H181 | sing | 0.97Å | 1.00Å | |
| N18 | H182 | sing | 0.97Å | 1.00Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C7 | H73C | sing | 1.09Å | 1.10Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O26 | C24 | O25 | 120.2° | 120.0° |
| O26 | C24 | C23 | 120.5° | 120.0° |
| C24 | O26 | H26 | 109.5° | 117.0° |
| O25 | C24 | C23 | 119.3° | 120.0° |
| C24 | C23 | C22 | 119.9° | 120.0° |
| C24 | C23 | C27 | 119.9° | 120.0° |
| C22 | C23 | C27 | 120.1° | 120.0° |
| C23 | C22 | C21 | 119.9° | 119.9° |
| C23 | C22 | H22 | 120.1° | 120.0° |
| C23 | C27 | C28 | 120.3° | 120.0° |
| C23 | C27 | H27 | 119.8° | 120.0° |
| C22 | C21 | C20 | 120.0° | 120.1° |
| C21 | C22 | H22 | 120.1° | 120.1° |
| C22 | C21 | H21 | 120.0° | 120.0° |
| C21 | C20 | C28 | 120.3° | 120.0° |
| C21 | C20 | C19 | 119.4° | 120.0° |
| C20 | C21 | H21 | 120.0° | 120.0° |
| C27 | C28 | C20 | 119.4° | 120.0° |
| C28 | C27 | H27 | 119.9° | 120.0° |
| C27 | C28 | H28 | 120.3° | 120.0° |
| C28 | C20 | C19 | 120.2° | 120.0° |
| C20 | C28 | H28 | 120.3° | 120.0° |
| C20 | C19 | N14 | 120.1° | 120.1° |
| C20 | C19 | C17 | 120.1° | 120.1° |
| N14 | C19 | C17 | 119.8° | 119.8° |
| C19 | N14 | C13 | 119.7° | 119.9° |
| C19 | C17 | N18 | 121.3° | 120.0° |
| C19 | C17 | N16 | 120.6° | 119.9° |
| N14 | C13 | C15 | 120.6° | 120.1° |
| N14 | C13 | C12 | 119.4° | 119.9° |
| N18 | C17 | N16 | 118.1° | 120.1° |
| C17 | N18 | H181 | 109.5° | 120.0° |
| C17 | N18 | H182 | 109.5° | 120.0° |
| C17 | N16 | C15 | 119.4° | 120.2° |
| N16 | C15 | C13 | 119.9° | 120.2° |
| N16 | C15 | H15 | 120.1° | 119.9° |
| C15 | C13 | C12 | 119.6° | 120.0° |
| C13 | C15 | H15 | 120.1° | 119.9° |
| C13 | C12 | C4 | 120.5° | 120.0° |
| C13 | C12 | C11 | 118.8° | 120.1° |
| C4 | C12 | C11 | 120.7° | 119.9° |
| C12 | C4 | C3 | 118.8° | 120.0° |
| C12 | C4 | H4 | 120.6° | 120.0° |
| C12 | C11 | C8 | 119.9° | 120.0° |
| C12 | C11 | H11 | 120.0° | 120.0° |
| C4 | C3 | C5 | 120.3° | 120.1° |
| C4 | C3 | O2 | 120.2° | 120.0° |
| C3 | C4 | H4 | 120.6° | 120.0° |
| C11 | C8 | O9 | 121.3° | 120.0° |
| C11 | C8 | C5 | 119.4° | 120.1° |
| C8 | C11 | H11 | 120.0° | 120.1° |
| O9 | C8 | C5 | 119.4° | 120.0° |
| C8 | O9 | C10 | 119.8° | 117.0° |
| C8 | C5 | O6 | 119.1° | 120.0° |
| C8 | C5 | C3 | 120.9° | 120.0° |
| O9 | C10 | H101 | 109.5° | 109.4° |
| O9 | C10 | H102 | 109.4° | 109.5° |
| O9 | C10 | H103 | 109.4° | 109.5° |
| O6 | C5 | C3 | 119.9° | 120.0° |
| C5 | O6 | C7 | 118.4° | 117.0° |
| C5 | C3 | O2 | 119.4° | 119.9° |
| O6 | C7 | H71C | 109.5° | 109.4° |
| O6 | C7 | H72C | 109.5° | 109.5° |
| O6 | C7 | H73C | 109.5° | 109.5° |
| C3 | O2 | C1 | 119.3° | 117.0° |
| O2 | C1 | H11C | 109.5° | 109.4° |
| O2 | C1 | H12C | 109.4° | 109.5° |
| O2 | C1 | H13C | 109.5° | 109.5° |
| H181 | N18 | H182 | 109.5° | 119.9° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H101 | C10 | H103 | 109.5° | 109.5° |
| H102 | C10 | H103 | 109.5° | 109.5° |
| H71C | C7 | H72C | 109.5° | 109.5° |
| H71C | C7 | H73C | 109.5° | 109.5° |
| H72C | C7 | H73C | 109.5° | 109.5° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| H11C | C1 | H13C | 109.5° | 109.5° |
| H12C | C1 | H13C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O26 | C24 | O25 | C23 | 178.0° | 180.0° |
| O26 | C24 | C23 | C22 | 22.7° | 180.0° |
| O26 | C24 | C23 | C27 | 161.5° | 0.3° |
| O25 | C24 | C23 | C22 | 155.4° | 0.0° |
| O25 | C24 | C23 | C27 | 20.5° | 179.7° |
| O25 | C24 | O26 | H26 | 0.0° | 0.1° |
| C24 | C23 | C22 | C27 | 175.8° | 179.7° |
| C24 | C23 | C22 | C21 | 176.6° | 180.0° |
| C24 | C23 | C27 | C28 | 176.3° | 180.0° |
| C23 | C24 | O26 | H26 | 178.0° | 180.0° |
| C24 | C23 | C22 | H22 | 3.4° | 0.1° |
| C24 | C23 | C27 | H27 | 3.7° | 0.0° |
| C23 | C22 | C21 | H22 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 0.4° | 0.0° |
| C22 | C23 | C27 | C28 | 0.5° | 0.3° |
| C22 | C23 | C27 | H27 | 179.5° | 179.7° |
| C23 | C22 | C21 | H21 | 179.6° | 180.0° |
| C27 | C23 | C22 | C21 | 0.8° | 0.3° |
| C23 | C27 | C28 | H27 | 180.0° | 180.0° |
| C23 | C27 | C28 | C20 | 0.8° | 0.0° |
| C27 | C23 | C22 | H22 | 179.3° | 179.8° |
| C23 | C27 | C28 | H28 | 179.2° | 180.0° |
| C22 | C21 | C20 | H21 | 180.0° | 180.0° |
| C22 | C21 | C20 | C28 | 1.7° | 0.2° |
| C22 | C21 | C20 | C19 | 177.6° | 180.0° |
| C21 | C20 | C28 | C27 | 1.9° | 0.2° |
| C21 | C20 | C28 | C19 | 175.9° | 179.8° |
| C21 | C20 | C19 | N14 | 59.2° | 44.2° |
| C21 | C20 | C19 | C17 | 118.2° | 136.1° |
| C20 | C21 | C22 | H22 | 179.6° | 180.0° |
| C21 | C20 | C28 | H28 | 178.1° | 179.8° |
| C27 | C28 | C20 | H28 | 180.0° | 180.0° |
| C27 | C28 | C20 | C19 | 177.8° | 180.0° |
| C28 | C20 | C19 | N14 | 124.9° | 135.6° |
| C28 | C20 | C19 | C17 | 57.7° | 44.1° |
| C20 | C28 | C27 | H27 | 179.2° | 180.0° |
| C28 | C20 | C21 | H21 | 178.3° | 179.8° |
| C20 | C19 | N14 | C17 | 177.4° | 179.7° |
| C20 | C19 | N14 | C13 | 176.9° | 180.0° |
| C20 | C19 | C17 | N18 | 3.0° | 0.1° |
| C20 | C19 | C17 | N16 | 179.3° | 180.0° |
| C19 | C20 | C21 | H21 | 2.4° | 0.0° |
| C19 | C20 | C28 | H28 | 2.2° | 0.0° |
| N14 | C19 | C17 | N18 | 179.6° | 179.8° |
| N14 | C19 | C17 | N16 | 1.9° | 0.3° |
| C19 | N14 | C13 | C15 | 3.6° | 0.0° |
| C19 | N14 | C13 | C12 | 176.5° | 180.0° |
| C17 | C19 | N14 | C13 | 0.5° | 0.2° |
| C19 | C17 | N18 | N16 | 177.7° | 179.9° |
| C19 | C17 | N16 | C15 | 0.8° | 0.0° |
| C19 | C17 | N18 | H181 | 167.1° | 8.5° |
| C19 | C17 | N18 | H182 | 72.9° | 171.5° |
| N14 | C13 | C15 | N16 | 4.7° | 0.3° |
| N14 | C13 | C15 | C12 | 172.9° | 180.0° |
| N14 | C13 | C12 | C4 | 178.2° | 174.9° |
| N14 | C13 | C12 | C11 | 3.8° | 4.7° |
| N14 | C13 | C15 | H15 | 175.3° | 180.0° |
| N18 | C17 | N16 | C15 | 178.6° | 180.0° |
| C17 | N18 | H181 | H182 | 120.0° | 180.0° |
| C17 | N16 | C15 | C13 | 2.3° | 0.2° |
| N16 | C17 | N18 | H181 | 10.6° | 171.4° |
| N16 | C17 | N18 | H182 | 109.4° | 8.6° |
| C17 | N16 | C15 | H15 | 177.7° | 180.0° |
| N16 | C15 | C13 | H15 | 180.0° | 179.7° |
| N16 | C15 | C13 | C12 | 177.6° | 179.8° |
| C15 | C13 | C12 | C4 | 8.8° | 5.0° |
| C15 | C13 | C12 | C11 | 169.2° | 175.3° |
| C13 | C12 | C4 | C11 | 178.0° | 179.7° |
| C13 | C12 | C4 | C3 | 178.3° | 180.0° |
| C13 | C12 | C11 | C8 | 178.1° | 180.0° |
| C12 | C13 | C15 | H15 | 2.4° | 0.0° |
| C13 | C12 | C4 | H4 | 1.8° | 0.1° |
| C13 | C12 | C11 | H11 | 1.9° | 0.0° |
| C12 | C4 | C3 | H4 | 180.0° | 179.9° |
| C4 | C12 | C11 | C8 | 0.1° | 0.3° |
| C12 | C4 | C3 | C5 | 0.0° | 0.0° |
| C12 | C4 | C3 | O2 | 177.2° | 180.0° |
| C4 | C12 | C11 | H11 | 179.9° | 179.7° |
| C11 | C12 | C4 | C3 | 0.3° | 0.3° |
| C12 | C11 | C8 | H11 | 180.0° | 180.0° |
| C12 | C11 | C8 | O9 | 179.7° | 180.0° |
| C12 | C11 | C8 | C5 | 0.4° | 0.0° |
| C11 | C12 | C4 | H4 | 179.8° | 179.8° |
| C4 | C3 | C5 | C8 | 0.5° | 0.3° |
| C4 | C3 | C5 | O6 | 179.6° | 180.0° |
| C4 | C3 | C5 | O2 | 177.2° | 180.0° |
| C4 | C3 | O2 | C1 | 15.1° | 0.0° |
| C11 | C8 | O9 | C5 | 179.9° | 180.0° |
| C11 | C8 | O9 | C10 | 6.4° | 0.0° |
| C11 | C8 | C5 | O6 | 179.4° | 180.0° |
| C11 | C8 | C5 | C3 | 0.7° | 0.3° |
| O9 | C8 | C5 | O6 | 0.6° | 0.0° |
| O9 | C8 | C5 | C3 | 179.4° | 179.7° |
| O9 | C8 | C11 | H11 | 0.4° | 0.0° |
| C8 | O9 | C10 | H101 | 83.1° | 60.0° |
| C8 | O9 | C10 | H102 | 36.9° | 180.0° |
| C8 | O9 | C10 | H103 | 156.9° | 59.9° |
| C5 | C8 | O9 | C10 | 173.5° | 180.0° |
| C8 | C5 | O6 | C3 | 179.9° | 179.7° |
| C8 | C5 | O6 | C7 | 79.4° | 90.0° |
| C8 | C5 | C3 | O2 | 176.7° | 179.7° |
| C5 | C8 | C11 | H11 | 179.6° | 180.0° |
| O9 | C10 | H101 | H102 | 120.0° | 120.0° |
| O9 | C10 | H101 | H103 | 120.0° | 120.0° |
| O9 | C10 | H102 | H103 | 120.0° | 120.0° |
| O6 | C5 | C3 | O2 | 3.3° | 0.0° |
| C5 | O6 | C7 | H71C | 97.8° | 180.0° |
| C5 | O6 | C7 | H72C | 142.2° | 60.0° |
| C5 | O6 | C7 | H73C | 22.2° | 60.0° |
| C3 | C5 | O6 | C7 | 100.5° | 90.3° |
| C5 | C3 | O2 | C1 | 167.8° | 180.0° |
| C5 | C3 | C4 | H4 | 180.0° | 179.9° |
| O6 | C7 | H71C | H72C | 120.0° | 120.0° |
| O6 | C7 | H71C | H73C | 120.0° | 120.0° |
| O6 | C7 | H72C | H73C | 120.0° | 120.0° |
| O2 | C3 | C4 | H4 | 2.9° | 0.1° |
| C3 | O2 | C1 | H11C | 160.3° | 60.0° |
| C3 | O2 | C1 | H12C | 79.7° | 60.0° |
| C3 | O2 | C1 | H13C | 40.3° | 180.0° |
| O2 | C1 | H11C | H12C | 120.0° | 120.0° |
| O2 | C1 | H11C | H13C | 120.0° | 120.0° |
| O2 | C1 | H12C | H13C | 120.0° | 120.0° |
| H22 | C22 | C21 | H21 | 0.4° | 0.0° |
| H27 | C27 | C28 | H28 | 0.8° | 0.0° |
| H101 | C10 | H102 | H103 | 120.0° | 120.1° |
| H71C | C7 | H72C | H73C | 120.0° | 120.0° |
| H11C | C1 | H12C | H13C | 120.0° | 120.1° |
