7TU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C9 | sing | 1.51Å | 1.51Å | |
| C1 | N8 | sing | 1.46Å | 1.46Å | |
| C9 | N14 | sing | 1.47Å | 1.46Å | |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| N8 | C13 | sing | 1.47Å | 1.46Å | |
| N8 | C10 | sing | 1.36Å | 1.34Å | |
| N14 | C18 | sing | 1.36Å | 1.34Å | |
| N14 | C15 | sing | 1.47Å | 1.46Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C15 | sing | 1.51Å | 1.52Å | |
| C29 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C27 | sing | 1.51Å | 1.51Å | |
| C13 | C12 | sing | 1.54Å | 1.55Å | |
| C27 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | N17 | doub | 1.28Å | 1.34Å | |
| C15 | C16 | sing | 1.54Å | 1.55Å | |
| C30 | C31 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | N11 | doub | 1.28Å | 1.34Å | |
| C32 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | C33 | sing | 1.51Å | 1.51Å | |
| C12 | N11 | sing | 1.47Å | 1.48Å | |
| C33 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
| N17 | C16 | sing | 1.47Å | 1.47Å | |
| C36 | C37 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C8 | sing | 1.51Å | 1.51Å | |
| C38 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C26 | H20 | sing | 1.08Å | 1.08Å | |
| C28 | H21 | sing | 1.08Å | 1.08Å | |
| C29 | H22 | sing | 1.08Å | 1.08Å | |
| C3 | H23 | sing | 1.08Å | 1.08Å | |
| C30 | H24 | sing | 1.08Å | 1.08Å | |
| C31 | H25 | sing | 1.08Å | 1.08Å | |
| C32 | H26 | sing | 1.08Å | 1.08Å | |
| C34 | H27 | sing | 1.08Å | 1.08Å | |
| C35 | H28 | sing | 1.08Å | 1.08Å | |
| C36 | H29 | sing | 1.08Å | 1.08Å | |
| C37 | H30 | sing | 1.08Å | 1.08Å | |
| C38 | H31 | sing | 1.08Å | 1.08Å | |
| C5 | H32 | sing | 1.08Å | 1.08Å | |
| C6 | H33 | sing | 1.08Å | 1.08Å | |
| C7 | H34 | sing | 1.08Å | 1.08Å | |
| C9 | H35 | sing | 1.09Å | 1.10Å | |
| C9 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | C5 | 120.1° | 120.0° |
| C6 | C7 | C2 | 120.5° | 120.0° |
| C7 | C6 | H33 | 120.0° | 120.0° |
| C6 | C7 | H34 | 119.7° | 120.0° |
| C6 | C5 | C4 | 120.1° | 120.0° |
| C6 | C5 | H32 | 120.0° | 120.0° |
| C5 | C6 | H33 | 120.0° | 120.0° |
| C7 | C2 | C3 | 119.1° | 120.0° |
| C7 | C2 | C1 | 120.4° | 120.0° |
| C2 | C7 | H34 | 119.8° | 120.0° |
| C5 | C4 | C3 | 119.5° | 120.0° |
| C5 | C4 | C9 | 120.4° | 120.0° |
| C4 | C5 | H32 | 119.9° | 120.0° |
| C3 | C2 | C1 | 120.4° | 120.0° |
| C2 | C3 | C4 | 120.7° | 120.0° |
| C2 | C3 | H23 | 119.6° | 120.0° |
| C2 | C1 | N8 | 114.1° | 109.5° |
| C2 | C1 | H1 | 108.3° | 109.5° |
| C2 | C1 | H2 | 108.3° | 109.5° |
| C3 | C4 | C9 | 120.1° | 120.0° |
| C4 | C3 | H23 | 119.7° | 120.0° |
| C4 | C9 | N14 | 114.5° | 109.5° |
| C4 | C9 | H35 | 108.2° | 109.5° |
| C4 | C9 | H36 | 108.2° | 109.5° |
| C1 | N8 | C13 | 123.3° | 125.8° |
| C1 | N8 | C10 | 124.8° | 125.9° |
| N8 | C1 | H1 | 108.3° | 109.5° |
| N8 | C1 | H2 | 108.3° | 109.5° |
| C9 | N14 | C18 | 124.1° | 125.8° |
| C9 | N14 | C15 | 123.7° | 125.8° |
| N14 | C9 | H35 | 108.2° | 109.5° |
| N14 | C9 | H36 | 108.2° | 109.5° |
| C24 | C23 | C22 | 120.3° | 120.0° |
| C23 | C24 | C25 | 119.6° | 120.0° |
| C24 | C23 | H17 | 119.8° | 120.0° |
| C23 | C24 | H18 | 120.2° | 119.9° |
| C23 | C22 | C21 | 120.6° | 120.0° |
| C23 | C22 | H16 | 119.7° | 120.0° |
| C22 | C23 | H17 | 119.9° | 120.0° |
| C24 | C25 | C26 | 120.4° | 120.0° |
| C25 | C24 | H18 | 120.2° | 120.1° |
| C24 | C25 | H19 | 119.8° | 119.9° |
| C22 | C21 | C26 | 118.6° | 120.0° |
| C22 | C21 | C15 | 120.6° | 120.0° |
| C21 | C22 | H16 | 119.7° | 119.9° |
| C13 | N8 | C10 | 111.9° | 108.3° |
| N8 | C13 | C27 | 114.3° | 110.6° |
| N8 | C13 | C12 | 100.7° | 103.0° |
| N8 | C13 | H7 | 110.1° | 111.0° |
| N8 | C10 | N11 | 111.6° | 114.6° |
| N8 | C10 | H3 | 124.2° | 122.7° |
| C18 | N14 | C15 | 112.1° | 108.3° |
| N14 | C18 | N17 | 111.5° | 114.6° |
| N14 | C18 | H12 | 124.2° | 122.7° |
| N14 | C15 | C21 | 112.9° | 110.8° |
| N14 | C15 | C16 | 100.1° | 103.1° |
| N14 | C15 | H9 | 110.8° | 110.7° |
| C25 | C26 | C21 | 120.6° | 120.0° |
| C26 | C25 | H19 | 119.8° | 120.0° |
| C25 | C26 | H20 | 119.7° | 120.0° |
| C29 | C28 | C27 | 120.5° | 120.0° |
| C28 | C29 | C30 | 120.3° | 120.0° |
| C29 | C28 | H21 | 119.7° | 120.0° |
| C28 | C29 | H22 | 119.9° | 120.0° |
| C28 | C27 | C13 | 120.6° | 120.0° |
| C28 | C27 | C32 | 118.8° | 120.0° |
| C27 | C28 | H21 | 119.8° | 120.0° |
| C26 | C21 | C15 | 120.7° | 120.0° |
| C21 | C26 | H20 | 119.7° | 119.9° |
| C21 | C15 | C16 | 113.2° | 110.7° |
| C21 | C15 | H9 | 110.0° | 110.6° |
| C29 | C30 | C31 | 119.7° | 120.0° |
| C30 | C29 | H22 | 119.9° | 120.0° |
| C29 | C30 | H24 | 120.2° | 120.0° |
| C27 | C13 | C12 | 113.0° | 110.7° |
| C13 | C27 | C32 | 120.6° | 120.0° |
| C27 | C13 | H7 | 109.4° | 110.7° |
| C13 | C12 | C33 | 114.5° | 110.2° |
| C13 | C12 | N11 | 104.8° | 103.8° |
| C13 | C12 | H6 | 107.7° | 111.0° |
| C12 | C13 | H7 | 109.0° | 110.7° |
| C27 | C32 | C31 | 120.4° | 119.9° |
| C27 | C32 | H26 | 119.8° | 120.0° |
| C18 | N17 | C16 | 108.7° | 110.2° |
| N17 | C18 | H12 | 124.2° | 122.7° |
| C15 | C16 | N17 | 104.6° | 103.8° |
| C15 | C16 | C8 | 116.8° | 110.5° |
| C16 | C15 | H9 | 109.5° | 110.7° |
| C15 | C16 | H10 | 107.2° | 110.6° |
| C30 | C31 | C32 | 120.3° | 120.0° |
| C31 | C30 | H24 | 120.1° | 120.0° |
| C30 | C31 | H25 | 119.8° | 120.0° |
| C10 | N11 | C12 | 108.8° | 110.2° |
| N11 | C10 | H3 | 124.2° | 122.6° |
| C32 | C31 | H25 | 119.8° | 120.0° |
| C31 | C32 | H26 | 119.8° | 120.1° |
| C35 | C34 | C33 | 120.5° | 120.0° |
| C34 | C35 | C36 | 120.2° | 120.0° |
| C35 | C34 | H27 | 119.8° | 120.0° |
| C34 | C35 | H28 | 119.9° | 120.0° |
| C34 | C33 | C12 | 120.3° | 120.0° |
| C34 | C33 | C38 | 118.9° | 120.0° |
| C33 | C34 | H27 | 119.7° | 120.0° |
| C35 | C36 | C37 | 119.7° | 120.0° |
| C36 | C35 | H28 | 119.9° | 120.0° |
| C35 | C36 | H29 | 120.1° | 120.0° |
| C33 | C12 | N11 | 112.8° | 110.6° |
| C12 | C33 | C38 | 120.8° | 120.0° |
| C33 | C12 | H6 | 108.2° | 110.5° |
| N11 | C12 | H6 | 108.6° | 110.6° |
| C33 | C38 | C37 | 120.4° | 120.0° |
| C33 | C38 | H31 | 119.8° | 120.0° |
| N17 | C16 | C8 | 112.1° | 110.5° |
| N17 | C16 | H10 | 108.1° | 110.7° |
| C36 | C37 | C38 | 120.3° | 120.0° |
| C37 | C36 | H29 | 120.2° | 120.0° |
| C36 | C37 | H30 | 119.9° | 120.0° |
| C16 | C8 | C11 | 120.3° | 119.9° |
| C16 | C8 | C20 | 120.9° | 120.0° |
| C8 | C16 | H10 | 107.6° | 110.5° |
| C38 | C37 | H30 | 119.9° | 120.0° |
| C37 | C38 | H31 | 119.8° | 120.0° |
| C8 | C11 | C14 | 120.5° | 120.0° |
| C11 | C8 | C20 | 118.8° | 120.0° |
| C8 | C11 | H5 | 119.8° | 120.0° |
| C11 | C14 | C17 | 120.3° | 120.0° |
| C14 | C11 | H5 | 119.7° | 120.0° |
| C11 | C14 | H8 | 119.9° | 120.0° |
| C8 | C20 | C19 | 120.4° | 120.0° |
| C8 | C20 | H15 | 119.8° | 120.0° |
| C14 | C17 | C19 | 119.7° | 120.0° |
| C17 | C14 | H8 | 119.9° | 120.0° |
| C14 | C17 | H11 | 120.1° | 120.0° |
| C20 | C19 | C17 | 120.3° | 120.0° |
| C20 | C19 | H14 | 119.8° | 120.0° |
| C19 | C20 | H15 | 119.8° | 120.0° |
| C19 | C17 | H11 | 120.2° | 120.0° |
| C17 | C19 | H14 | 119.9° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H35 | C9 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | C5 | H33 | 180.0° | 179.3° |
| C6 | C7 | C2 | H34 | 180.0° | 179.3° |
| C7 | C6 | C5 | C4 | 0.3° | 0.3° |
| C6 | C7 | C2 | C3 | 1.3° | 0.7° |
| C6 | C7 | C2 | C1 | 179.6° | 179.6° |
| C7 | C6 | C5 | H32 | 179.8° | 179.7° |
| C5 | C6 | C7 | C2 | 0.4° | 0.7° |
| C6 | C5 | C4 | H32 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 1.0° | 0.0° |
| C6 | C5 | C4 | C9 | 179.3° | 180.0° |
| C5 | C6 | C7 | H34 | 179.6° | 180.0° |
| C7 | C2 | C3 | C1 | 178.4° | 179.7° |
| C7 | C2 | C3 | C4 | 2.0° | 0.3° |
| C7 | C2 | C1 | N8 | 102.5° | 90.3° |
| C7 | C2 | C1 | H1 | 136.8° | 29.7° |
| C7 | C2 | C1 | H2 | 18.2° | 149.7° |
| C7 | C2 | C3 | H23 | 178.0° | 179.7° |
| C2 | C7 | C6 | H33 | 179.6° | 180.0° |
| C5 | C4 | C3 | C2 | 1.9° | 0.0° |
| C5 | C4 | C3 | C9 | 178.3° | 180.0° |
| C5 | C4 | C9 | N14 | 103.8° | 90.0° |
| C5 | C4 | C3 | H23 | 178.1° | 180.0° |
| C4 | C5 | C6 | H33 | 179.7° | 179.7° |
| C5 | C4 | C9 | H35 | 16.9° | 30.0° |
| C5 | C4 | C9 | H36 | 135.4° | 150.0° |
| C2 | C3 | C4 | H23 | 180.0° | 180.0° |
| C2 | C3 | C4 | C9 | 179.9° | 180.0° |
| C3 | C2 | C1 | N8 | 79.1° | 90.0° |
| C3 | C2 | C1 | H1 | 41.6° | 150.0° |
| C3 | C2 | C1 | H2 | 160.2° | 30.0° |
| C3 | C2 | C7 | H34 | 178.8° | 180.0° |
| C1 | C2 | C3 | C4 | 179.6° | 179.9° |
| C2 | C1 | N8 | H1 | 120.7° | 120.0° |
| C2 | C1 | N8 | H2 | 120.7° | 120.0° |
| C2 | C1 | N8 | C13 | 81.2° | 90.1° |
| C2 | C1 | N8 | C10 | 98.6° | 90.0° |
| C2 | C1 | H1 | H2 | 117.9° | 120.0° |
| C1 | C2 | C3 | H23 | 0.4° | 0.1° |
| C1 | C2 | C7 | H34 | 0.4° | 0.3° |
| C3 | C4 | C9 | N14 | 77.9° | 90.0° |
| C3 | C4 | C5 | H32 | 179.0° | 180.0° |
| C3 | C4 | C9 | H35 | 161.3° | 150.0° |
| C3 | C4 | C9 | H36 | 42.8° | 30.0° |
| C4 | C9 | N14 | H35 | 120.7° | 120.0° |
| C4 | C9 | N14 | H36 | 120.8° | 120.0° |
| C4 | C9 | N14 | C18 | 137.4° | 90.0° |
| C4 | C9 | N14 | C15 | 44.3° | 90.1° |
| C9 | C4 | C3 | H23 | 0.1° | 0.0° |
| C9 | C4 | C5 | H32 | 0.8° | 0.0° |
| C4 | C9 | H35 | H36 | 117.7° | 120.0° |
| C1 | N8 | C13 | C10 | 179.9° | 179.9° |
| C1 | N8 | C13 | C27 | 72.6° | 61.4° |
| C1 | N8 | C13 | C12 | 166.0° | 179.8° |
| C1 | N8 | C10 | N11 | 171.4° | 180.0° |
| N8 | C1 | H1 | H2 | 117.9° | 120.0° |
| C1 | N8 | C10 | H3 | 8.6° | 0.3° |
| C1 | N8 | C13 | H7 | 51.1° | 61.8° |
| C9 | N14 | C18 | C15 | 178.4° | 179.9° |
| C9 | N14 | C15 | C21 | 73.2° | 61.6° |
| C9 | N14 | C18 | N17 | 173.7° | 180.0° |
| C9 | N14 | C15 | C16 | 166.2° | 180.0° |
| C9 | N14 | C15 | H9 | 50.6° | 61.6° |
| C9 | N14 | C18 | H12 | 6.3° | 0.0° |
| N14 | C9 | H35 | H36 | 117.7° | 120.0° |
| C24 | C23 | C22 | H17 | 180.0° | 180.0° |
| C23 | C24 | C25 | H18 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 0.6° | 0.0° |
| C23 | C24 | C25 | C26 | 0.1° | 0.0° |
| C24 | C23 | C22 | H16 | 179.4° | 179.9° |
| C23 | C24 | C25 | H19 | 179.9° | 179.9° |
| C22 | C23 | C24 | C25 | 0.1° | 0.0° |
| C23 | C22 | C21 | H16 | 180.0° | 180.0° |
| C23 | C22 | C21 | C26 | 0.9° | 0.0° |
| C23 | C22 | C21 | C15 | 179.5° | 179.8° |
| C22 | C23 | C24 | H18 | 179.9° | 179.9° |
| C24 | C25 | C26 | H19 | 180.0° | 179.9° |
| C24 | C25 | C26 | C21 | 0.4° | 0.1° |
| C25 | C24 | C23 | H17 | 179.9° | 180.0° |
| C24 | C25 | C26 | H20 | 179.6° | 179.8° |
| C22 | C21 | C15 | N14 | 28.8° | 34.0° |
| C22 | C21 | C26 | C25 | 0.9° | 0.1° |
| C22 | C21 | C26 | C15 | 178.6° | 179.8° |
| C22 | C21 | C15 | C16 | 84.0° | 79.8° |
| C22 | C21 | C15 | H9 | 153.2° | 157.2° |
| C21 | C22 | C23 | H17 | 179.4° | 180.0° |
| C22 | C21 | C26 | H20 | 179.1° | 179.8° |
| N8 | C13 | C27 | C28 | 140.2° | 33.8° |
| N8 | C13 | C27 | C12 | 114.4° | 113.5° |
| N8 | C13 | C27 | H7 | 124.1° | 123.4° |
| N8 | C13 | C12 | H7 | 115.8° | 118.7° |
| N8 | C13 | C27 | C32 | 42.0° | 146.5° |
| C13 | N8 | C10 | N11 | 8.7° | 0.1° |
| N8 | C13 | C12 | C33 | 110.1° | 118.8° |
| N8 | C13 | C12 | N11 | 14.0° | 0.3° |
| C13 | N8 | C1 | H1 | 158.1° | 30.0° |
| C13 | N8 | C1 | H2 | 39.5° | 149.9° |
| C13 | N8 | C10 | H3 | 171.3° | 179.7° |
| N8 | C13 | C12 | H6 | 129.5° | 118.5° |
| C10 | N8 | C13 | C27 | 107.3° | 118.5° |
| C10 | N8 | C13 | C12 | 14.1° | 0.2° |
| N8 | C10 | N11 | H3 | 180.0° | 179.7° |
| N8 | C10 | N11 | C12 | 1.5° | 0.3° |
| C10 | N8 | C1 | H1 | 22.0° | 150.0° |
| C10 | N8 | C1 | H2 | 140.7° | 30.0° |
| C10 | N8 | C13 | H7 | 129.1° | 118.3° |
| C18 | N14 | C15 | C21 | 105.2° | 118.5° |
| N14 | C18 | N17 | H12 | 180.0° | 180.0° |
| C18 | N14 | C15 | C16 | 15.4° | 0.1° |
| N14 | C18 | N17 | C16 | 4.3° | 0.0° |
| C18 | N14 | C15 | H9 | 130.9° | 118.4° |
| C18 | N14 | C9 | H35 | 101.9° | 30.0° |
| C18 | N14 | C9 | H36 | 16.6° | 150.0° |
| N14 | C15 | C21 | C26 | 152.6° | 146.3° |
| N14 | C15 | C21 | C16 | 112.8° | 113.7° |
| N14 | C15 | C21 | H9 | 124.3° | 123.2° |
| C15 | N14 | C18 | N17 | 7.9° | 0.1° |
| N14 | C15 | C16 | H9 | 116.5° | 118.5° |
| N14 | C15 | C16 | N17 | 16.7° | 0.1° |
| N14 | C15 | C16 | C8 | 107.9° | 118.6° |
| N14 | C15 | C16 | H10 | 131.3° | 118.7° |
| C15 | N14 | C18 | H12 | 172.1° | 180.0° |
| C15 | N14 | C9 | H35 | 76.4° | 150.0° |
| C15 | N14 | C9 | H36 | 165.1° | 30.0° |
| C25 | C26 | C21 | H20 | 180.0° | 179.7° |
| C25 | C26 | C21 | C15 | 179.5° | 179.7° |
| C26 | C25 | C24 | H18 | 180.0° | 179.9° |
| C29 | C28 | C27 | H21 | 180.0° | 180.0° |
| C28 | C29 | C30 | H22 | 180.0° | 180.0° |
| C29 | C28 | C27 | C13 | 179.5° | 180.0° |
| C29 | C28 | C27 | C32 | 1.6° | 0.3° |
| C28 | C29 | C30 | C31 | 0.0° | 0.0° |
| C28 | C29 | C30 | H24 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.9° | 0.0° |
| C28 | C27 | C13 | C32 | 177.8° | 179.7° |
| C28 | C27 | C13 | C12 | 105.4° | 79.8° |
| C28 | C27 | C32 | C31 | 1.4° | 0.5° |
| C28 | C27 | C13 | H7 | 16.1° | 157.2° |
| C27 | C28 | C29 | H22 | 179.1° | 180.0° |
| C28 | C27 | C32 | H26 | 178.6° | 179.8° |
| C26 | C21 | C15 | C16 | 94.6° | 100.0° |
| C26 | C21 | C15 | H9 | 28.2° | 23.0° |
| C26 | C21 | C22 | H16 | 179.1° | 180.0° |
| C21 | C26 | C25 | H19 | 179.6° | 180.0° |
| C21 | C15 | C16 | H9 | 123.1° | 123.0° |
| C21 | C15 | C16 | N17 | 103.7° | 118.6° |
| C21 | C15 | C16 | C8 | 131.7° | 122.9° |
| C21 | C15 | C16 | H10 | 10.9° | 0.2° |
| C15 | C21 | C22 | H16 | 0.5° | 0.2° |
| C15 | C21 | C26 | H20 | 0.5° | 0.0° |
| C29 | C30 | C31 | H24 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.2° | 0.3° |
| C30 | C29 | C28 | H21 | 179.0° | 180.0° |
| C29 | C30 | C31 | H25 | 179.7° | 180.0° |
| C27 | C13 | C12 | H7 | 121.8° | 123.1° |
| C13 | C27 | C32 | C31 | 179.2° | 179.8° |
| C27 | C13 | C12 | C33 | 127.6° | 123.0° |
| C27 | C13 | C12 | N11 | 108.4° | 118.6° |
| C27 | C13 | C12 | H6 | 7.1° | 0.3° |
| C13 | C27 | C28 | H21 | 0.5° | 0.0° |
| C13 | C27 | C32 | H26 | 0.7° | 0.0° |
| C12 | C13 | C27 | C32 | 72.4° | 100.0° |
| C13 | C12 | N11 | C10 | 10.2° | 0.4° |
| C13 | C12 | C33 | C34 | 73.2° | 75.4° |
| C13 | C12 | C33 | N11 | 119.7° | 114.2° |
| C13 | C12 | C33 | H6 | 120.1° | 123.0° |
| C13 | C12 | N11 | H6 | 114.9° | 119.1° |
| C13 | C12 | C33 | C38 | 106.4° | 104.3° |
| C27 | C32 | C31 | C30 | 0.5° | 0.5° |
| C27 | C32 | C31 | H26 | 180.0° | 179.7° |
| C32 | C27 | C13 | H7 | 166.1° | 23.1° |
| C32 | C27 | C28 | H21 | 178.4° | 179.7° |
| C27 | C32 | C31 | H25 | 179.6° | 179.7° |
| C18 | N17 | C16 | C15 | 13.7° | 0.0° |
| C18 | N17 | C16 | C8 | 113.8° | 118.6° |
| C18 | N17 | C16 | H10 | 127.7° | 118.7° |
| C15 | C16 | N17 | C8 | 127.5° | 118.6° |
| C15 | C16 | N17 | H10 | 114.0° | 118.7° |
| C15 | C16 | C8 | H10 | 120.6° | 122.8° |
| C15 | C16 | C8 | C11 | 88.3° | 100.0° |
| C15 | C16 | C8 | C20 | 92.7° | 80.0° |
| C30 | C31 | C32 | H25 | 180.0° | 179.8° |
| C31 | C30 | C29 | H22 | 180.0° | 180.0° |
| C30 | C31 | C32 | H26 | 179.5° | 179.8° |
| C10 | N11 | C12 | C33 | 114.9° | 118.6° |
| C10 | N11 | C12 | H6 | 125.1° | 118.7° |
| C32 | C31 | C30 | H24 | 179.8° | 179.8° |
| C35 | C34 | C33 | H27 | 180.0° | 179.9° |
| C34 | C35 | C36 | H28 | 180.0° | 180.0° |
| C35 | C34 | C33 | C12 | 179.6° | 179.9° |
| C35 | C34 | C33 | C38 | 0.0° | 0.3° |
| C34 | C35 | C36 | C37 | 0.3° | 0.0° |
| C34 | C35 | C36 | H29 | 179.7° | 180.0° |
| C33 | C34 | C35 | C36 | 0.3° | 0.0° |
| C34 | C33 | C12 | C38 | 179.6° | 179.8° |
| C34 | C33 | C12 | N11 | 46.4° | 38.8° |
| C34 | C33 | C38 | C37 | 0.3° | 0.5° |
| C34 | C33 | C12 | H6 | 166.6° | 161.6° |
| C33 | C34 | C35 | H28 | 179.7° | 180.0° |
| C34 | C33 | C38 | H31 | 179.7° | 179.7° |
| C35 | C36 | C37 | H29 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.0° | 0.2° |
| C36 | C35 | C34 | H27 | 179.7° | 180.0° |
| C35 | C36 | C37 | H30 | 180.0° | 180.0° |
| C33 | C12 | N11 | H6 | 120.0° | 122.7° |
| C12 | C33 | C38 | C37 | 179.9° | 179.7° |
| C33 | C12 | C13 | H7 | 5.7° | 0.1° |
| C12 | C33 | C34 | H27 | 0.4° | 0.0° |
| C12 | C33 | C38 | H31 | 0.1° | 0.0° |
| N11 | C12 | C33 | C38 | 134.0° | 141.4° |
| C12 | N11 | C10 | H3 | 178.5° | 180.0° |
| N11 | C12 | C13 | H7 | 129.8° | 118.4° |
| C33 | C38 | C37 | C36 | 0.3° | 0.4° |
| C33 | C38 | C37 | H31 | 180.0° | 179.8° |
| C38 | C33 | C12 | H6 | 13.8° | 18.7° |
| C38 | C33 | C34 | H27 | 180.0° | 179.8° |
| C33 | C38 | C37 | H30 | 179.7° | 179.8° |
| N17 | C16 | C8 | H10 | 118.8° | 122.9° |
| N17 | C16 | C8 | C11 | 32.3° | 145.6° |
| N17 | C16 | C8 | C20 | 146.6° | 34.4° |
| N17 | C16 | C15 | H9 | 133.2° | 118.4° |
| C16 | N17 | C18 | H12 | 175.7° | 180.0° |
| C36 | C37 | C38 | H30 | 180.0° | 179.8° |
| C37 | C36 | C35 | H28 | 179.7° | 180.0° |
| C36 | C37 | C38 | H31 | 179.7° | 179.8° |
| C16 | C8 | C11 | C20 | 179.0° | 180.0° |
| C16 | C8 | C11 | C14 | 179.7° | 180.0° |
| C16 | C8 | C20 | C19 | 179.7° | 180.0° |
| C16 | C8 | C11 | H5 | 0.3° | 0.3° |
| C8 | C16 | C15 | H9 | 8.6° | 0.1° |
| C16 | C8 | C20 | H15 | 0.3° | 0.0° |
| C38 | C37 | C36 | H29 | 180.0° | 179.8° |
| C8 | C11 | C14 | H5 | 180.0° | 179.8° |
| C8 | C11 | C14 | C17 | 0.4° | 0.0° |
| C11 | C8 | C20 | C19 | 0.7° | 0.0° |
| C8 | C11 | C14 | H8 | 179.6° | 179.9° |
| C11 | C8 | C16 | H10 | 151.1° | 22.7° |
| C11 | C8 | C20 | H15 | 179.3° | 180.0° |
| C14 | C11 | C8 | C20 | 0.7° | 0.1° |
| C11 | C14 | C17 | H8 | 180.0° | 180.0° |
| C11 | C14 | C17 | C19 | 0.1° | 0.0° |
| C11 | C14 | C17 | H11 | 179.9° | 180.0° |
| C8 | C20 | C19 | H15 | 180.0° | 180.0° |
| C8 | C20 | C19 | C17 | 0.4° | 0.0° |
| C20 | C8 | C11 | H5 | 179.3° | 179.7° |
| C20 | C8 | C16 | H10 | 27.8° | 157.3° |
| C8 | C20 | C19 | H14 | 179.6° | 179.9° |
| C14 | C17 | C19 | C20 | 0.1° | 0.0° |
| C14 | C17 | C19 | H11 | 180.0° | 180.0° |
| C17 | C14 | C11 | H5 | 179.5° | 179.7° |
| C14 | C17 | C19 | H14 | 179.9° | 179.9° |
| C20 | C19 | C17 | H14 | 180.0° | 179.9° |
| C20 | C19 | C17 | H11 | 179.9° | 180.0° |
| C19 | C17 | C14 | H8 | 179.9° | 180.0° |
| C17 | C19 | C20 | H15 | 179.6° | 180.0° |
| H5 | C11 | C14 | H8 | 0.5° | 0.3° |
| H6 | C12 | C13 | H7 | 114.7° | 122.8° |
| H8 | C14 | C17 | H11 | 0.1° | 0.0° |
| H9 | C15 | C16 | H10 | 112.2° | 122.8° |
| H11 | C17 | C19 | H14 | 0.1° | 0.1° |
| H14 | C19 | C20 | H15 | 0.4° | 0.1° |
| H16 | C22 | C23 | H17 | 0.6° | 0.1° |
| H17 | C23 | C24 | H18 | 0.1° | 0.1° |
| H18 | C24 | C25 | H19 | 0.1° | 0.1° |
| H19 | C25 | C26 | H20 | 0.4° | 0.3° |
| H21 | C28 | C29 | H22 | 0.9° | 0.0° |
| H22 | C29 | C30 | H24 | 0.0° | 0.1° |
| H24 | C30 | C31 | H25 | 0.2° | 0.1° |
| H25 | C31 | C32 | H26 | 0.5° | 0.0° |
| H27 | C34 | C35 | H28 | 0.3° | 0.0° |
| H28 | C35 | C36 | H29 | 0.3° | 0.0° |
| H29 | C36 | C37 | H30 | 0.0° | 0.0° |
| H30 | C37 | C38 | H31 | 0.3° | 0.0° |
| H32 | C5 | C6 | H33 | 0.3° | 0.3° |
| H33 | C6 | C7 | H34 | 0.4° | 0.7° |
