T34
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C13 | N12 | sing | 1.47Å | 1.45Å | |
| O4 | C3 | doub | 1.21Å | 1.23Å | |
| N12 | C9 | sing | 1.40Å | 1.38Å | |
| C10 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C5 | sing | 1.48Å | 1.50Å | |
| C3 | N2 | sing | 1.35Å | 1.33Å | |
| C9 | C8 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| O1 | N2 | sing | 1.42Å | 1.40Å | |
| C8 | C11 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| N12 | H9 | sing | 0.97Å | 1.00Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C16 | 119.6° | 120.0° |
| C17 | C18 | C19 | 120.2° | 120.0° |
| C18 | C17 | H14 | 120.2° | 120.0° |
| C17 | C18 | H15 | 119.9° | 120.0° |
| C17 | C16 | C15 | 120.2° | 120.0° |
| C17 | C16 | H13 | 119.9° | 120.0° |
| C16 | C17 | H14 | 120.2° | 120.0° |
| C18 | C19 | C14 | 120.8° | 120.0° |
| C19 | C18 | H15 | 119.9° | 120.1° |
| C18 | C19 | H16 | 119.6° | 120.0° |
| C16 | C15 | C14 | 120.7° | 120.0° |
| C16 | C15 | H12 | 119.6° | 120.0° |
| C15 | C16 | H13 | 119.9° | 120.0° |
| C19 | C14 | C15 | 118.5° | 120.0° |
| C19 | C14 | C13 | 120.7° | 120.0° |
| C14 | C19 | H16 | 119.6° | 120.0° |
| C15 | C14 | C13 | 120.8° | 120.0° |
| C14 | C15 | H12 | 119.6° | 120.0° |
| C14 | C13 | N12 | 113.6° | 109.5° |
| C14 | C13 | H10 | 108.5° | 109.4° |
| C14 | C13 | H11 | 108.4° | 109.5° |
| C13 | N12 | C9 | 121.3° | 120.0° |
| C13 | N12 | H9 | 106.4° | 120.0° |
| N12 | C13 | H10 | 108.4° | 109.4° |
| N12 | C13 | H11 | 108.4° | 109.5° |
| O4 | C3 | C5 | 121.2° | 120.0° |
| O4 | C3 | N2 | 123.1° | 120.0° |
| N12 | C9 | C10 | 120.7° | 120.0° |
| N12 | C9 | C8 | 118.8° | 120.0° |
| C9 | N12 | H9 | 106.5° | 120.0° |
| C9 | C10 | C5 | 120.6° | 119.8° |
| C10 | C9 | C8 | 120.5° | 120.0° |
| C9 | C10 | H5 | 119.7° | 120.1° |
| C10 | C5 | C3 | 121.8° | 120.1° |
| C10 | C5 | C6 | 118.9° | 119.8° |
| C5 | C10 | H5 | 119.7° | 120.1° |
| C5 | C3 | N2 | 115.7° | 120.0° |
| C3 | C5 | C6 | 119.3° | 120.1° |
| C3 | N2 | O1 | 121.4° | 120.0° |
| C3 | N2 | H2 | 119.3° | 120.0° |
| C9 | C8 | C11 | 121.7° | 119.9° |
| C9 | C8 | C7 | 117.7° | 120.2° |
| C5 | C6 | C7 | 120.5° | 120.0° |
| C5 | C6 | H3 | 119.8° | 120.0° |
| N2 | O1 | H1 | 109.5° | 114.0° |
| O1 | N2 | H2 | 119.3° | 120.0° |
| C11 | C8 | C7 | 120.6° | 119.9° |
| C8 | C11 | H6 | 109.5° | 109.5° |
| C8 | C11 | H7 | 109.5° | 109.5° |
| C8 | C11 | H8 | 109.4° | 109.5° |
| C8 | C7 | C6 | 121.9° | 120.3° |
| C8 | C7 | H4 | 119.1° | 119.9° |
| C7 | C6 | H3 | 119.8° | 120.0° |
| C6 | C7 | H4 | 119.1° | 119.9° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H6 | C11 | H8 | 109.5° | 109.4° |
| H7 | C11 | H8 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C16 | H14 | 180.0° | 179.8° |
| C17 | C18 | C19 | H15 | 180.0° | 179.8° |
| C18 | C17 | C16 | C15 | 0.2° | 0.0° |
| C17 | C18 | C19 | C14 | 0.0° | 0.6° |
| C18 | C17 | C16 | H13 | 179.8° | 180.0° |
| C17 | C18 | C19 | H16 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.3° | 0.2° |
| C17 | C16 | C15 | H13 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 0.1° | 0.0° |
| C17 | C16 | C15 | H12 | 179.9° | 179.9° |
| C16 | C17 | C18 | H15 | 179.7° | 180.0° |
| C18 | C19 | C14 | H16 | 180.0° | 179.4° |
| C18 | C19 | C14 | C15 | 0.3° | 0.6° |
| C18 | C19 | C14 | C13 | 179.3° | 179.7° |
| C19 | C18 | C17 | H14 | 179.7° | 180.0° |
| C16 | C15 | C14 | C19 | 0.3° | 0.3° |
| C16 | C15 | C14 | H12 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 179.2° | 180.0° |
| C15 | C16 | C17 | H14 | 179.8° | 179.7° |
| C19 | C14 | C15 | C13 | 179.6° | 179.7° |
| C19 | C14 | C13 | N12 | 128.1° | 90.3° |
| C19 | C14 | C13 | H10 | 7.4° | 149.8° |
| C19 | C14 | C13 | H11 | 111.3° | 29.7° |
| C19 | C14 | C15 | H12 | 179.6° | 179.7° |
| C14 | C19 | C18 | H15 | 180.0° | 179.7° |
| C15 | C14 | C13 | N12 | 51.5° | 90.0° |
| C15 | C14 | C13 | H10 | 172.1° | 29.9° |
| C15 | C14 | C13 | H11 | 69.1° | 150.0° |
| C14 | C15 | C16 | H13 | 179.9° | 179.9° |
| C15 | C14 | C19 | H16 | 179.7° | 180.0° |
| C14 | C13 | N12 | H10 | 120.6° | 119.9° |
| C14 | C13 | N12 | H11 | 120.6° | 120.0° |
| C14 | C13 | N12 | C9 | 161.0° | 180.0° |
| C14 | C13 | N12 | H9 | 77.4° | 0.1° |
| C14 | C13 | H10 | H11 | 118.1° | 120.1° |
| C13 | C14 | C15 | H12 | 0.8° | 0.1° |
| C13 | C14 | C19 | H16 | 0.7° | 0.3° |
| C13 | N12 | C9 | H9 | 121.7° | 179.9° |
| C13 | N12 | C9 | C10 | 0.4° | 0.3° |
| C13 | N12 | C9 | C8 | 177.2° | 180.0° |
| N12 | C13 | H10 | H11 | 118.1° | 120.0° |
| O4 | C3 | C5 | C10 | 7.5° | 0.2° |
| O4 | C3 | C5 | N2 | 178.6° | 180.0° |
| O4 | C3 | C5 | C6 | 174.9° | 180.0° |
| O4 | C3 | N2 | O1 | 1.2° | 0.0° |
| O4 | C3 | N2 | H2 | 178.8° | 179.9° |
| N12 | C9 | C10 | C8 | 177.6° | 179.8° |
| N12 | C9 | C10 | C5 | 176.8° | 179.7° |
| N12 | C9 | C8 | C11 | 4.7° | 0.0° |
| N12 | C9 | C8 | C7 | 176.1° | 180.0° |
| N12 | C9 | C10 | H5 | 3.1° | 0.2° |
| C9 | N12 | C13 | H10 | 40.3° | 60.1° |
| C9 | N12 | C13 | H11 | 78.5° | 60.0° |
| C9 | C10 | C5 | H5 | 180.0° | 179.5° |
| C9 | C10 | C5 | C3 | 176.9° | 179.7° |
| C9 | C10 | C5 | C6 | 0.7° | 0.5° |
| C10 | C9 | C8 | C11 | 177.6° | 179.7° |
| C10 | C9 | C8 | C7 | 1.5° | 0.2° |
| C10 | C9 | N12 | H9 | 121.3° | 179.8° |
| C10 | C5 | C3 | C6 | 177.6° | 179.8° |
| C10 | C5 | C3 | N2 | 171.1° | 179.8° |
| C5 | C10 | C9 | C8 | 0.7° | 0.5° |
| C10 | C5 | C6 | C7 | 1.3° | 0.2° |
| C10 | C5 | C6 | H3 | 178.7° | 179.8° |
| C5 | C3 | N2 | O1 | 177.4° | 180.0° |
| C3 | C5 | C6 | C7 | 176.4° | 180.0° |
| C5 | C3 | N2 | H2 | 2.6° | 0.0° |
| C3 | C5 | C6 | H3 | 3.6° | 0.1° |
| C3 | C5 | C10 | H5 | 3.1° | 0.2° |
| N2 | C3 | C5 | C6 | 6.5° | 0.0° |
| C3 | N2 | O1 | H2 | 180.0° | 179.9° |
| C3 | N2 | O1 | H1 | 0.6° | 180.0° |
| C9 | C8 | C11 | C7 | 179.1° | 180.0° |
| C9 | C8 | C7 | C6 | 0.9° | 0.0° |
| C9 | C8 | C7 | H4 | 179.1° | 180.0° |
| C8 | C9 | C10 | H5 | 179.3° | 180.0° |
| C9 | C8 | C11 | H6 | 90.4° | 90.0° |
| C9 | C8 | C11 | H7 | 149.6° | 30.0° |
| C9 | C8 | C11 | H8 | 29.5° | 150.0° |
| C8 | C9 | N12 | H9 | 61.1° | 0.0° |
| C5 | C6 | C7 | C8 | 0.5° | 0.0° |
| C5 | C6 | C7 | H3 | 180.0° | 179.9° |
| C5 | C6 | C7 | H4 | 179.5° | 180.0° |
| C6 | C5 | C10 | H5 | 179.3° | 180.0° |
| C11 | C8 | C7 | C6 | 178.2° | 180.0° |
| C11 | C8 | C7 | H4 | 1.8° | 0.1° |
| C8 | C11 | H6 | H7 | 120.0° | 120.0° |
| C8 | C11 | H6 | H8 | 120.0° | 120.0° |
| C8 | C11 | H7 | H8 | 120.0° | 120.0° |
| C8 | C7 | C6 | H4 | 180.0° | 179.9° |
| C8 | C7 | C6 | H3 | 179.5° | 179.9° |
| C7 | C8 | C11 | H6 | 90.4° | 89.9° |
| C7 | C8 | C11 | H7 | 29.6° | 150.0° |
| C7 | C8 | C11 | H8 | 149.6° | 30.0° |
| H1 | O1 | N2 | H2 | 179.5° | 0.1° |
| H3 | C6 | C7 | H4 | 0.5° | 0.1° |
| H6 | C11 | H7 | H8 | 120.0° | 120.0° |
| H9 | N12 | C13 | H10 | 162.0° | 120.0° |
| H9 | N12 | C13 | H11 | 43.2° | 120.0° |
| H12 | C15 | C16 | H13 | 0.1° | 0.0° |
| H13 | C16 | C17 | H14 | 0.2° | 0.2° |
| H14 | C17 | C18 | H15 | 0.3° | 0.2° |
| H15 | C18 | C19 | H16 | 0.0° | 0.3° |
