A1DMM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | doub | 1.40Å | 1.44Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.46Å | Aromatic |
| C6 | C15 | sing | 1.47Å | 1.48Å | |
| C5 | C4 | sing | 1.36Å | 1.44Å | Aromatic |
| C5 | C35 | sing | 1.51Å | 1.62Å | |
| C4 | C3 | doub | 1.40Å | 1.52Å | Aromatic |
| C3 | N1 | sing | 1.39Å | 1.50Å | |
| C3 | C8 | sing | 1.39Å | 1.30Å | Aromatic |
| N1 | C2 | sing | 1.47Å | 1.49Å | |
| N1 | C12 | sing | 1.47Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C11 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.51Å | 1.57Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | doub | 1.37Å | 1.53Å | Aromatic |
| C35 | C34 | sing | 1.51Å | 1.66Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| C35 | C37 | sing | 1.53Å | 1.55Å | |
| C34 | C23 | sing | 1.41Å | 1.44Å | |
| C34 | C30 | doub | 1.35Å | 1.38Å | |
| C23 | C15 | doub | 1.40Å | 1.51Å | |
| C23 | C24 | sing | 1.41Å | 1.46Å | |
| C15 | C16 | sing | 1.47Å | 1.55Å | |
| C16 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | C21 | sing | 1.41Å | 1.39Å | Aromatic |
| C17 | F1 | sing | 1.35Å | 1.36Å | |
| C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | F2 | sing | 1.35Å | 1.36Å | |
| C18 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | F3 | sing | 1.35Å | 1.37Å | |
| C19 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | F4 | sing | 1.35Å | 1.37Å | |
| C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.47Å | 1.54Å | |
| C22 | O1 | sing | 1.35Å | 1.27Å | |
| C22 | O2 | doub | 1.22Å | 1.26Å | |
| C24 | C25 | doub | 1.35Å | 1.61Å | |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C25 | C29 | sing | 1.42Å | 1.32Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | N2 | sing | 1.47Å | 1.47Å | |
| N2 | C29 | doub | 1.32Å | 1.48Å | |
| N2 | C33 | sing | 1.47Å | 1.46Å | |
| C29 | C30 | sing | 1.42Å | 1.49Å | |
| C30 | C31 | sing | 1.51Å | 1.53Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.08Å | 1.08Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H34 | sing | 1.09Å | 1.10Å | |
| C36 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H38 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| O1 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | C7 | 118.0° | 119.4° |
| C5 | C6 | C15 | 119.3° | 120.4° |
| C6 | C5 | C4 | 118.3° | 120.2° |
| C6 | C5 | C35 | 122.6° | 119.1° |
| C7 | C6 | C15 | 122.8° | 120.2° |
| C6 | C7 | C8 | 122.2° | 120.2° |
| C6 | C7 | H7 | 118.9° | 119.8° |
| C6 | C15 | C23 | 122.5° | 121.9° |
| C6 | C15 | C16 | 120.6° | 119.0° |
| C4 | C5 | C35 | 119.1° | 120.7° |
| C5 | C4 | C3 | 122.6° | 120.2° |
| C5 | C4 | H6 | 118.7° | 119.9° |
| C5 | C35 | C34 | 114.9° | 118.1° |
| C5 | C35 | C36 | 106.1° | 107.7° |
| C5 | C35 | C37 | 105.9° | 107.7° |
| C4 | C3 | N1 | 118.7° | 118.6° |
| C4 | C3 | C8 | 119.8° | 119.9° |
| C3 | C4 | H6 | 118.7° | 119.8° |
| N1 | C3 | C8 | 121.6° | 121.5° |
| C3 | N1 | C2 | 119.4° | 111.0° |
| C3 | N1 | C12 | 119.4° | 115.5° |
| C3 | C8 | C9 | 122.5° | 121.2° |
| C3 | C8 | C7 | 119.2° | 120.1° |
| C2 | N1 | C12 | 121.1° | 111.0° |
| N1 | C2 | C1 | 110.3° | 109.5° |
| N1 | C2 | H4 | 109.3° | 109.5° |
| N1 | C2 | H5 | 109.3° | 109.5° |
| N1 | C12 | C11 | 111.0° | 107.4° |
| N1 | C12 | C13 | 110.6° | 109.8° |
| N1 | C12 | C14 | 107.8° | 110.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 109.2° | 109.4° |
| C1 | C2 | H5 | 109.3° | 109.5° |
| C11 | C12 | C13 | 107.9° | 109.8° |
| C11 | C12 | C14 | 110.7° | 109.8° |
| C12 | C11 | C9 | 118.7° | 106.2° |
| C12 | C11 | H12 | 107.1° | 110.1° |
| C12 | C11 | H13 | 107.1° | 110.3° |
| C13 | C12 | C14 | 108.8° | 109.9° |
| C12 | C13 | H14 | 109.5° | 109.6° |
| C12 | C13 | H15 | 109.5° | 109.4° |
| C12 | C13 | H16 | 109.4° | 109.5° |
| C12 | C14 | H17 | 109.5° | 109.5° |
| C12 | C14 | H18 | 109.5° | 109.5° |
| C12 | C14 | H19 | 109.5° | 109.5° |
| C11 | C9 | C8 | 113.0° | 110.4° |
| C11 | C9 | C10 | 110.4° | 109.3° |
| C9 | C11 | H12 | 107.1° | 110.1° |
| C9 | C11 | H13 | 107.1° | 110.1° |
| C11 | C9 | H8 | 108.5° | 109.3° |
| C8 | C9 | C10 | 108.4° | 109.3° |
| C9 | C8 | C7 | 118.3° | 118.7° |
| C8 | C9 | H8 | 107.9° | 109.3° |
| C9 | C10 | H10 | 109.5° | 109.5° |
| C9 | C10 | H11 | 109.5° | 109.5° |
| C9 | C10 | H9 | 109.5° | 109.5° |
| C10 | C9 | H8 | 108.6° | 109.2° |
| C8 | C7 | H7 | 118.9° | 119.9° |
| C34 | C35 | C36 | 109.2° | 108.1° |
| C34 | C35 | C37 | 110.8° | 107.4° |
| C35 | C34 | C23 | 117.0° | 119.5° |
| C35 | C34 | C30 | 123.1° | 120.0° |
| C36 | C35 | C37 | 109.7° | 107.5° |
| C35 | C36 | H33 | 109.5° | 109.5° |
| C35 | C36 | H34 | 109.5° | 109.5° |
| C35 | C36 | H35 | 109.5° | 109.5° |
| C35 | C37 | H36 | 109.5° | 109.5° |
| C35 | C37 | H37 | 109.4° | 109.5° |
| C35 | C37 | H38 | 109.4° | 109.5° |
| C23 | C34 | C30 | 119.9° | 120.6° |
| C34 | C23 | C15 | 123.6° | 121.0° |
| C34 | C23 | C24 | 123.2° | 119.4° |
| C34 | C30 | C29 | 121.7° | 120.3° |
| C34 | C30 | C31 | 125.2° | 118.9° |
| C15 | C23 | C24 | 113.2° | 119.7° |
| C23 | C15 | C16 | 115.6° | 119.0° |
| C23 | C24 | C25 | 112.8° | 120.4° |
| C23 | C24 | H20 | 123.6° | 119.9° |
| C15 | C16 | C17 | 120.6° | 120.2° |
| C15 | C16 | C21 | 119.3° | 120.2° |
| C17 | C16 | C21 | 120.1° | 119.6° |
| C16 | C17 | F1 | 119.9° | 120.0° |
| C16 | C17 | C18 | 119.9° | 120.0° |
| C16 | C21 | C20 | 120.0° | 119.6° |
| C16 | C21 | C22 | 120.2° | 120.2° |
| F1 | C17 | C18 | 120.2° | 120.0° |
| C17 | C18 | F2 | 119.9° | 119.8° |
| C17 | C18 | C19 | 120.0° | 120.4° |
| F2 | C18 | C19 | 120.1° | 119.8° |
| C18 | C19 | F3 | 120.1° | 119.8° |
| C18 | C19 | C20 | 120.0° | 120.5° |
| F3 | C19 | C20 | 119.9° | 119.8° |
| C19 | C20 | F4 | 120.3° | 120.0° |
| C19 | C20 | C21 | 119.9° | 120.0° |
| F4 | C20 | C21 | 119.8° | 120.0° |
| C20 | C21 | C22 | 119.8° | 120.2° |
| C21 | C22 | O1 | 119.8° | 120.1° |
| C21 | C22 | O2 | 120.2° | 120.0° |
| O1 | C22 | O2 | 120.0° | 119.9° |
| C22 | O1 | H40 | 109.5° | 117.1° |
| C24 | C25 | C26 | 118.3° | 118.8° |
| C24 | C25 | C29 | 121.8° | 120.4° |
| C25 | C24 | H20 | 123.6° | 119.8° |
| C26 | C25 | C29 | 120.0° | 120.8° |
| C25 | C26 | C27 | 109.4° | 107.6° |
| C25 | C26 | H21 | 109.5° | 109.8° |
| C25 | C26 | H22 | 109.5° | 109.8° |
| C25 | C29 | N2 | 118.6° | 120.5° |
| C25 | C29 | C30 | 120.6° | 118.9° |
| C26 | C27 | C28 | 106.3° | 105.9° |
| C27 | C26 | H21 | 109.5° | 109.8° |
| C27 | C26 | H22 | 109.5° | 109.8° |
| C26 | C27 | H23 | 110.3° | 110.1° |
| C26 | C27 | H24 | 110.3° | 110.1° |
| C27 | C28 | N2 | 107.3° | 110.7° |
| C28 | C27 | H23 | 110.3° | 110.1° |
| C28 | C27 | H24 | 110.3° | 110.2° |
| C27 | C28 | H25 | 110.0° | 109.2° |
| C27 | C28 | H26 | 110.0° | 109.2° |
| C28 | N2 | C29 | 122.5° | 120.9° |
| C28 | N2 | C33 | 116.4° | 118.1° |
| N2 | C28 | H25 | 110.0° | 109.3° |
| N2 | C28 | H26 | 110.0° | 109.2° |
| C29 | N2 | C33 | 121.1° | 121.0° |
| N2 | C29 | C30 | 120.7° | 120.5° |
| N2 | C33 | C32 | 109.3° | 110.7° |
| N2 | C33 | H31 | 109.5° | 109.3° |
| N2 | C33 | H32 | 109.5° | 109.2° |
| C29 | C30 | C31 | 113.0° | 120.8° |
| C30 | C31 | C32 | 111.8° | 107.6° |
| C30 | C31 | H27 | 108.9° | 109.8° |
| C30 | C31 | H28 | 108.9° | 109.9° |
| C31 | C32 | C33 | 105.1° | 105.9° |
| C32 | C31 | H27 | 108.9° | 109.8° |
| C32 | C31 | H28 | 108.9° | 109.8° |
| C31 | C32 | H29 | 110.5° | 110.1° |
| C31 | C32 | H30 | 110.6° | 110.1° |
| C33 | C32 | H29 | 110.5° | 110.1° |
| C33 | C32 | H30 | 110.5° | 110.1° |
| C32 | C33 | H31 | 109.5° | 109.2° |
| C32 | C33 | H32 | 109.5° | 109.2° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H10 | C10 | H9 | 109.4° | 109.4° |
| H11 | C10 | H9 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 110.1° |
| H14 | C13 | H15 | 109.5° | 109.5° |
| H14 | C13 | H16 | 109.5° | 109.5° |
| H15 | C13 | H16 | 109.5° | 109.4° |
| H17 | C14 | H18 | 109.4° | 109.5° |
| H17 | C14 | H19 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.4° |
| H21 | C26 | H22 | 109.5° | 109.9° |
| H23 | C27 | H24 | 109.4° | 110.2° |
| H25 | C28 | H26 | 109.5° | 109.1° |
| H27 | C31 | H28 | 109.5° | 109.9° |
| H29 | C32 | H30 | 109.5° | 110.3° |
| H31 | C33 | H32 | 109.5° | 109.3° |
| H33 | C36 | H34 | 109.5° | 109.5° |
| H33 | C36 | H35 | 109.4° | 109.5° |
| H34 | C36 | H35 | 109.5° | 109.5° |
| H36 | C37 | H37 | 109.5° | 109.5° |
| H36 | C37 | H38 | 109.5° | 109.5° |
| H37 | C37 | H38 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | C7 | C15 | 179.9° | 179.8° |
| C6 | C5 | C4 | C35 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.0° | 0.0° |
| C5 | C6 | C7 | C8 | 0.4° | 0.1° |
| C6 | C5 | C35 | C34 | 2.1° | 0.6° |
| C6 | C5 | C35 | C36 | 118.7° | 122.0° |
| C6 | C5 | C35 | C37 | 124.7° | 122.3° |
| C5 | C6 | C15 | C23 | 2.2° | 0.1° |
| C5 | C6 | C15 | C16 | 168.7° | 180.0° |
| C6 | C5 | C4 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | H7 | 179.6° | 179.9° |
| C7 | C6 | C5 | C4 | 0.2° | 0.1° |
| C7 | C6 | C5 | C35 | 179.8° | 180.0° |
| C6 | C7 | C8 | C3 | 0.5° | 0.1° |
| C6 | C7 | C8 | C9 | 180.0° | 179.9° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C7 | C6 | C15 | C23 | 177.7° | 179.7° |
| C7 | C6 | C15 | C16 | 11.2° | 0.3° |
| C15 | C6 | C5 | C4 | 180.0° | 179.6° |
| C15 | C6 | C5 | C35 | 0.1° | 0.3° |
| C15 | C6 | C7 | C8 | 179.7° | 179.7° |
| C6 | C15 | C23 | C34 | 1.9° | 0.1° |
| C6 | C15 | C23 | C16 | 167.1° | 179.9° |
| C6 | C15 | C23 | C24 | 177.8° | 179.9° |
| C6 | C15 | C16 | C17 | 110.9° | 90.0° |
| C6 | C15 | C16 | C21 | 69.0° | 89.7° |
| C15 | C6 | C7 | H7 | 0.3° | 0.3° |
| C5 | C4 | C3 | H6 | 180.0° | 179.9° |
| C5 | C4 | C3 | N1 | 179.6° | 179.9° |
| C5 | C4 | C3 | C8 | 0.2° | 0.2° |
| C4 | C5 | C35 | C34 | 177.9° | 179.3° |
| C4 | C5 | C35 | C36 | 61.3° | 58.1° |
| C4 | C5 | C35 | C37 | 55.2° | 57.6° |
| C35 | C5 | C4 | C3 | 179.9° | 179.9° |
| C5 | C35 | C34 | C36 | 119.1° | 122.4° |
| C5 | C35 | C34 | C37 | 120.0° | 121.9° |
| C5 | C35 | C36 | C37 | 114.0° | 115.8° |
| C5 | C35 | C34 | C23 | 2.3° | 0.6° |
| C5 | C35 | C34 | C30 | 178.3° | 179.5° |
| C35 | C5 | C4 | H6 | 0.0° | 0.0° |
| C5 | C35 | C36 | H33 | 180.0° | 24.8° |
| C5 | C35 | C36 | H34 | 60.0° | 144.8° |
| C5 | C35 | C36 | H35 | 60.0° | 95.2° |
| C5 | C35 | C37 | H36 | 180.0° | 65.4° |
| C5 | C35 | C37 | H37 | 60.0° | 174.6° |
| C5 | C35 | C37 | H38 | 60.0° | 54.7° |
| C4 | C3 | N1 | C8 | 179.5° | 179.9° |
| C4 | C3 | N1 | C2 | 21.8° | 34.3° |
| C4 | C3 | N1 | C12 | 158.5° | 161.8° |
| C4 | C3 | C8 | C9 | 179.8° | 179.7° |
| C4 | C3 | C8 | C7 | 0.4° | 0.2° |
| C3 | N1 | C2 | C12 | 179.8° | 130.0° |
| C3 | N1 | C2 | C1 | 68.9° | 52.0° |
| C3 | N1 | C12 | C11 | 40.4° | 52.7° |
| C3 | N1 | C12 | C13 | 160.2° | 66.7° |
| C3 | N1 | C12 | C14 | 80.9° | 172.2° |
| N1 | C3 | C8 | C9 | 0.7° | 0.2° |
| N1 | C3 | C8 | C7 | 179.8° | 179.9° |
| C3 | N1 | C2 | H4 | 51.1° | 172.0° |
| C3 | N1 | C2 | H5 | 170.9° | 68.0° |
| N1 | C3 | C4 | H6 | 0.4° | 0.0° |
| C8 | C3 | N1 | C2 | 157.7° | 145.7° |
| C8 | C3 | N1 | C12 | 22.1° | 18.1° |
| C3 | C8 | C9 | C11 | 1.6° | 18.5° |
| C3 | C8 | C9 | C7 | 179.4° | 179.9° |
| C3 | C8 | C9 | C10 | 121.1° | 138.8° |
| C8 | C3 | C4 | H6 | 179.9° | 179.9° |
| C3 | C8 | C7 | H7 | 179.5° | 179.9° |
| C3 | C8 | C9 | H8 | 121.5° | 101.8° |
| N1 | C2 | C1 | H4 | 120.1° | 120.0° |
| N1 | C2 | C1 | H5 | 120.1° | 120.0° |
| C2 | N1 | C12 | C11 | 139.3° | 179.7° |
| C2 | N1 | C12 | C13 | 19.6° | 60.8° |
| C2 | N1 | C12 | C14 | 99.3° | 60.2° |
| N1 | C2 | C1 | H1 | 180.0° | 170.3° |
| N1 | C2 | C1 | H2 | 60.0° | 69.7° |
| N1 | C2 | C1 | H3 | 60.0° | 50.3° |
| N1 | C2 | H4 | H5 | 119.7° | 120.0° |
| C12 | N1 | C2 | C1 | 110.8° | 78.0° |
| N1 | C12 | C11 | C13 | 121.3° | 119.4° |
| N1 | C12 | C11 | C14 | 119.7° | 119.6° |
| N1 | C12 | C13 | C14 | 118.2° | 121.1° |
| N1 | C12 | C11 | C9 | 41.1° | 69.1° |
| C12 | N1 | C2 | H4 | 129.1° | 42.0° |
| C12 | N1 | C2 | H5 | 9.3° | 162.1° |
| N1 | C12 | C11 | H12 | 80.2° | 171.7° |
| N1 | C12 | C11 | H13 | 162.4° | 50.1° |
| N1 | C12 | C13 | H14 | 180.0° | 38.8° |
| N1 | C12 | C13 | H15 | 60.0° | 81.2° |
| N1 | C12 | C13 | H16 | 60.0° | 158.9° |
| N1 | C12 | C14 | H17 | 180.0° | 178.0° |
| N1 | C12 | C14 | H18 | 60.0° | 62.0° |
| N1 | C12 | C14 | H19 | 60.0° | 58.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 119.6° | 120.0° |
| C11 | C12 | C13 | C14 | 120.2° | 121.0° |
| C12 | C11 | C9 | H12 | 121.3° | 119.1° |
| C12 | C11 | C9 | H13 | 121.3° | 119.4° |
| C12 | C11 | C9 | C8 | 22.4° | 51.2° |
| C12 | C11 | C9 | C10 | 99.2° | 171.5° |
| C12 | C11 | H12 | H13 | 115.8° | 121.7° |
| C11 | C12 | C13 | H14 | 58.3° | 79.1° |
| C11 | C12 | C13 | H15 | 61.7° | 160.9° |
| C11 | C12 | C13 | H16 | 178.4° | 40.9° |
| C11 | C12 | C14 | H17 | 58.4° | 60.0° |
| C11 | C12 | C14 | H18 | 178.4° | 180.0° |
| C11 | C12 | C14 | H19 | 61.6° | 60.0° |
| C12 | C11 | C9 | H8 | 142.0° | 69.0° |
| C13 | C12 | C11 | C9 | 162.4° | 50.3° |
| C13 | C12 | C11 | H12 | 41.1° | 68.9° |
| C13 | C12 | C11 | H13 | 76.3° | 169.5° |
| C12 | C13 | H14 | H15 | 120.0° | 120.0° |
| C12 | C13 | H14 | H16 | 120.0° | 120.1° |
| C12 | C13 | H15 | H16 | 120.0° | 120.0° |
| C13 | C12 | C14 | H17 | 60.0° | 61.0° |
| C13 | C12 | C14 | H18 | 60.0° | 59.1° |
| C13 | C12 | C14 | H19 | 180.0° | 179.0° |
| C14 | C12 | C11 | C9 | 78.6° | 171.3° |
| C14 | C12 | C11 | H12 | 160.1° | 52.1° |
| C14 | C12 | C11 | H13 | 42.7° | 69.5° |
| C14 | C12 | C13 | H14 | 61.8° | 159.9° |
| C14 | C12 | C13 | H15 | 178.2° | 39.9° |
| C14 | C12 | C13 | H16 | 58.2° | 80.0° |
| C12 | C14 | H17 | H18 | 120.0° | 120.0° |
| C12 | C14 | H17 | H19 | 120.0° | 120.0° |
| C12 | C14 | H18 | H19 | 120.0° | 120.0° |
| C11 | C9 | C8 | C10 | 122.7° | 120.3° |
| C11 | C9 | C8 | H8 | 119.9° | 120.2° |
| C11 | C9 | C10 | H8 | 118.7° | 119.6° |
| C11 | C9 | C8 | C7 | 179.0° | 161.6° |
| C11 | C9 | C10 | H10 | 180.0° | 60.0° |
| C11 | C9 | C10 | H11 | 60.0° | 180.0° |
| C11 | C9 | C10 | H9 | 60.0° | 59.9° |
| C9 | C11 | H12 | H13 | 115.8° | 121.5° |
| C8 | C9 | C10 | H8 | 117.0° | 119.5° |
| C9 | C8 | C7 | H7 | 0.0° | 0.2° |
| C8 | C9 | C10 | H10 | 55.8° | 61.0° |
| C8 | C9 | C10 | H11 | 175.8° | 59.1° |
| C8 | C9 | C10 | H9 | 64.2° | 179.1° |
| C8 | C9 | C11 | H12 | 98.9° | 170.3° |
| C8 | C9 | C11 | H13 | 143.7° | 68.1° |
| C10 | C9 | C8 | C7 | 58.4° | 41.3° |
| C9 | C10 | H10 | H11 | 120.0° | 120.0° |
| C9 | C10 | H10 | H9 | 120.0° | 119.9° |
| C9 | C10 | H11 | H9 | 120.0° | 120.0° |
| C10 | C9 | C11 | H12 | 139.5° | 69.4° |
| C10 | C9 | C11 | H13 | 22.1° | 52.1° |
| C7 | C8 | C9 | H8 | 59.1° | 78.2° |
| C34 | C35 | C36 | C37 | 121.6° | 115.6° |
| C35 | C34 | C23 | C30 | 179.4° | 180.0° |
| C35 | C34 | C23 | C15 | 0.4° | 0.2° |
| C35 | C34 | C23 | C24 | 179.9° | 179.7° |
| C35 | C34 | C30 | C29 | 180.0° | 179.9° |
| C35 | C34 | C30 | C31 | 0.8° | 0.2° |
| C34 | C35 | C36 | H33 | 55.6° | 103.8° |
| C34 | C35 | C36 | H34 | 175.6° | 16.2° |
| C34 | C35 | C36 | H35 | 64.4° | 136.2° |
| C34 | C35 | C37 | H36 | 54.8° | 166.5° |
| C34 | C35 | C37 | H37 | 65.3° | 46.5° |
| C34 | C35 | C37 | H38 | 174.7° | 73.5° |
| C36 | C35 | C34 | C23 | 116.8° | 121.8° |
| C36 | C35 | C34 | C30 | 62.6° | 58.1° |
| C35 | C36 | H33 | H34 | 120.0° | 120.0° |
| C35 | C36 | H33 | H35 | 120.0° | 120.0° |
| C35 | C36 | H34 | H35 | 120.0° | 120.0° |
| C36 | C35 | C37 | H36 | 65.9° | 50.4° |
| C36 | C35 | C37 | H37 | 174.1° | 69.6° |
| C36 | C35 | C37 | H38 | 54.1° | 170.5° |
| C37 | C35 | C34 | C23 | 122.3° | 122.5° |
| C37 | C35 | C34 | C30 | 58.3° | 57.6° |
| C37 | C35 | C36 | H33 | 66.1° | 140.6° |
| C37 | C35 | C36 | H34 | 54.0° | 99.4° |
| C37 | C35 | C36 | H35 | 173.9° | 20.6° |
| C35 | C37 | H36 | H37 | 120.0° | 120.0° |
| C35 | C37 | H36 | H38 | 120.0° | 120.0° |
| C35 | C37 | H37 | H38 | 120.0° | 120.0° |
| C34 | C23 | C15 | C24 | 179.7° | 179.9° |
| C34 | C23 | C15 | C16 | 169.1° | 179.9° |
| C34 | C23 | C24 | C25 | 0.1° | 0.3° |
| C23 | C34 | C30 | C29 | 0.6° | 0.2° |
| C23 | C34 | C30 | C31 | 179.8° | 179.7° |
| C34 | C23 | C24 | H20 | 179.9° | 179.7° |
| C30 | C34 | C23 | C15 | 179.9° | 179.8° |
| C30 | C34 | C23 | C24 | 0.4° | 0.2° |
| C34 | C30 | C29 | C25 | 0.6° | 0.6° |
| C34 | C30 | C29 | N2 | 179.9° | 179.2° |
| C34 | C30 | C29 | C31 | 179.3° | 179.9° |
| C34 | C30 | C31 | C32 | 144.3° | 149.6° |
| C34 | C30 | C31 | H27 | 95.4° | 90.9° |
| C34 | C30 | C31 | H28 | 23.9° | 30.1° |
| C23 | C15 | C16 | C17 | 81.6° | 90.0° |
| C23 | C15 | C16 | C21 | 98.4° | 90.2° |
| C15 | C23 | C24 | C25 | 179.9° | 179.8° |
| C15 | C23 | C24 | H20 | 0.1° | 0.2° |
| C24 | C23 | C15 | C16 | 10.6° | 0.0° |
| C23 | C24 | C25 | H20 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 179.8° | 179.9° |
| C23 | C24 | C25 | C29 | 0.0° | 0.1° |
| C15 | C16 | C17 | C21 | 180.0° | 179.7° |
| C15 | C16 | C17 | F1 | 0.3° | 0.1° |
| C15 | C16 | C17 | C18 | 179.7° | 180.0° |
| C15 | C16 | C21 | C20 | 179.9° | 179.7° |
| C15 | C16 | C21 | C22 | 0.3° | 0.0° |
| C16 | C17 | F1 | C18 | 179.4° | 179.9° |
| C16 | C17 | C18 | F2 | 179.8° | 180.0° |
| C16 | C17 | C18 | C19 | 0.4° | 0.1° |
| C17 | C16 | C21 | C20 | 0.1° | 0.6° |
| C17 | C16 | C21 | C22 | 179.6° | 179.7° |
| C21 | C16 | C17 | F1 | 179.8° | 179.8° |
| C21 | C16 | C17 | C18 | 0.4° | 0.3° |
| C16 | C21 | C20 | C19 | 0.0° | 0.6° |
| C16 | C21 | C20 | F4 | 180.0° | 179.7° |
| C16 | C21 | C20 | C22 | 179.8° | 179.8° |
| C16 | C21 | C22 | O1 | 112.9° | 90.0° |
| C16 | C21 | C22 | O2 | 67.0° | 90.0° |
| F1 | C17 | C18 | F2 | 0.4° | 0.1° |
| F1 | C17 | C18 | C19 | 179.8° | 180.0° |
| C17 | C18 | F2 | C19 | 179.8° | 179.9° |
| C17 | C18 | C19 | F3 | 179.8° | 180.0° |
| C17 | C18 | C19 | C20 | 0.3° | 0.0° |
| F2 | C18 | C19 | F3 | 0.0° | 0.0° |
| F2 | C18 | C19 | C20 | 180.0° | 180.0° |
| C18 | C19 | F3 | C20 | 179.9° | 180.0° |
| C18 | C19 | C20 | F4 | 179.9° | 180.0° |
| C18 | C19 | C20 | C21 | 0.0° | 0.3° |
| F3 | C19 | C20 | F4 | 0.0° | 0.0° |
| F3 | C19 | C20 | C21 | 180.0° | 179.7° |
| C19 | C20 | F4 | C21 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 179.8° | 179.7° |
| F4 | C20 | C21 | C22 | 0.2° | 0.0° |
| C20 | C21 | C22 | O1 | 66.9° | 90.3° |
| C20 | C21 | C22 | O2 | 113.2° | 89.7° |
| C21 | C22 | O1 | O2 | 179.8° | 180.0° |
| C21 | C22 | O1 | H40 | 179.9° | 180.0° |
| O2 | C22 | O1 | H40 | 0.0° | 0.0° |
| C24 | C25 | C26 | C29 | 179.9° | 180.0° |
| C24 | C25 | C26 | C27 | 146.3° | 149.7° |
| C24 | C25 | C29 | N2 | 179.8° | 179.2° |
| C24 | C25 | C29 | C30 | 0.2° | 0.5° |
| C24 | C25 | C26 | H21 | 93.7° | 30.2° |
| C24 | C25 | C26 | H22 | 26.3° | 90.8° |
| C25 | C26 | C27 | H21 | 120.0° | 119.5° |
| C25 | C26 | C27 | H22 | 120.0° | 119.5° |
| C25 | C26 | C27 | C28 | 64.5° | 58.9° |
| C26 | C25 | C29 | N2 | 0.1° | 0.8° |
| C26 | C25 | C29 | C30 | 179.6° | 179.5° |
| C26 | C25 | C24 | H20 | 0.2° | 0.1° |
| C25 | C26 | H21 | H22 | 120.1° | 120.9° |
| C25 | C26 | C27 | H23 | 176.0° | 60.2° |
| C25 | C26 | C27 | H24 | 55.0° | 178.0° |
| C29 | C25 | C26 | C27 | 33.9° | 30.3° |
| C25 | C29 | N2 | C28 | 2.4° | 0.0° |
| C25 | C29 | N2 | C30 | 179.6° | 179.7° |
| C25 | C29 | N2 | C33 | 177.0° | 179.9° |
| C25 | C29 | C30 | C31 | 179.8° | 179.3° |
| C29 | C25 | C24 | H20 | 180.0° | 179.9° |
| C29 | C25 | C26 | H21 | 86.1° | 149.8° |
| C29 | C25 | C26 | H22 | 153.8° | 89.2° |
| C26 | C27 | C28 | H23 | 119.5° | 119.1° |
| C26 | C27 | C28 | H24 | 119.5° | 119.1° |
| C26 | C27 | C28 | N2 | 60.7° | 61.7° |
| C27 | C26 | H21 | H22 | 120.1° | 121.0° |
| C26 | C27 | H23 | H24 | 121.5° | 121.7° |
| C26 | C27 | C28 | H25 | 59.0° | 177.9° |
| C26 | C27 | C28 | H26 | 179.6° | 58.6° |
| C27 | C28 | N2 | H25 | 119.7° | 120.4° |
| C27 | C28 | N2 | H26 | 119.7° | 120.3° |
| C27 | C28 | N2 | C29 | 29.3° | 32.5° |
| C27 | C28 | N2 | C33 | 151.3° | 147.6° |
| C28 | C27 | C26 | H21 | 55.5° | 178.4° |
| C28 | C27 | C26 | H22 | 175.5° | 60.6° |
| C28 | C27 | H23 | H24 | 121.5° | 121.8° |
| C27 | C28 | H25 | H26 | 121.0° | 119.4° |
| C28 | N2 | C29 | C33 | 179.4° | 180.0° |
| C28 | N2 | C29 | C30 | 178.0° | 179.8° |
| C28 | N2 | C33 | C32 | 149.6° | 147.7° |
| N2 | C28 | C27 | H23 | 179.8° | 57.3° |
| N2 | C28 | C27 | H24 | 58.8° | 179.2° |
| N2 | C28 | H25 | H26 | 121.0° | 119.4° |
| C28 | N2 | C33 | H31 | 29.7° | 92.0° |
| C28 | N2 | C33 | H32 | 90.4° | 27.5° |
| N2 | C29 | C30 | C31 | 0.6° | 0.9° |
| C29 | N2 | C33 | C32 | 29.8° | 32.3° |
| C29 | N2 | C28 | H25 | 90.4° | 152.8° |
| C29 | N2 | C28 | H26 | 148.9° | 87.9° |
| C29 | N2 | C33 | H31 | 149.8° | 88.0° |
| C29 | N2 | C33 | H32 | 90.2° | 152.6° |
| C33 | N2 | C29 | C30 | 2.6° | 0.2° |
| N2 | C33 | C32 | C31 | 62.9° | 61.7° |
| N2 | C33 | C32 | H31 | 119.9° | 120.4° |
| N2 | C33 | C32 | H32 | 120.0° | 120.2° |
| C33 | N2 | C28 | H25 | 89.0° | 27.2° |
| C33 | N2 | C28 | H26 | 31.6° | 92.1° |
| N2 | C33 | C32 | H29 | 177.8° | 179.3° |
| N2 | C33 | C32 | H30 | 56.5° | 57.4° |
| N2 | C33 | H31 | H32 | 120.1° | 119.4° |
| C29 | C30 | C31 | C32 | 36.5° | 30.3° |
| C29 | C30 | C31 | H27 | 83.9° | 89.3° |
| C29 | C30 | C31 | H28 | 156.8° | 149.8° |
| C30 | C31 | C32 | H27 | 120.4° | 119.5° |
| C30 | C31 | C32 | H28 | 120.3° | 119.6° |
| C30 | C31 | C32 | C33 | 68.4° | 58.9° |
| C30 | C31 | H27 | H28 | 118.9° | 121.0° |
| C30 | C31 | C32 | H29 | 172.3° | 177.9° |
| C30 | C31 | C32 | H30 | 50.9° | 60.2° |
| C31 | C32 | C33 | H29 | 119.3° | 119.0° |
| C31 | C32 | C33 | H30 | 119.3° | 119.1° |
| C32 | C31 | H27 | H28 | 118.9° | 120.9° |
| C31 | C32 | H29 | H30 | 122.0° | 121.8° |
| C31 | C32 | C33 | H31 | 177.2° | 58.7° |
| C31 | C32 | C33 | H32 | 57.1° | 178.1° |
| C33 | C32 | C31 | H27 | 52.0° | 60.7° |
| C33 | C32 | C31 | H28 | 171.3° | 178.4° |
| C33 | C32 | H29 | H30 | 122.0° | 121.8° |
| C32 | C33 | H31 | H32 | 120.1° | 119.3° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 59.9° | 69.7° |
| H1 | C1 | C2 | H5 | 59.9° | 50.3° |
| H2 | C1 | C2 | H4 | 179.9° | 50.4° |
| H2 | C1 | C2 | H5 | 60.1° | 170.4° |
| H3 | C1 | C2 | H4 | 60.1° | 170.3° |
| H3 | C1 | C2 | H5 | 179.9° | 69.7° |
| H10 | C10 | H11 | H9 | 120.0° | 120.0° |
| H10 | C10 | C9 | H8 | 61.3° | 179.5° |
| H11 | C10 | C9 | H8 | 58.8° | 60.4° |
| H9 | C10 | C9 | H8 | 178.8° | 59.6° |
| H12 | C11 | C9 | H8 | 20.7° | 50.1° |
| H13 | C11 | C9 | H8 | 96.7° | 171.6° |
| H14 | C13 | H15 | H16 | 120.0° | 120.0° |
| H17 | C14 | H18 | H19 | 120.0° | 120.0° |
| H21 | C26 | C27 | H23 | 64.0° | 59.3° |
| H21 | C26 | C27 | H24 | 175.0° | 62.5° |
| H22 | C26 | C27 | H23 | 56.0° | 179.7° |
| H22 | C26 | C27 | H24 | 65.0° | 58.5° |
| H23 | C27 | C28 | H25 | 60.5° | 63.1° |
| H23 | C27 | C28 | H26 | 60.1° | 177.7° |
| H24 | C27 | C28 | H25 | 178.5° | 58.8° |
| H24 | C27 | C28 | H26 | 60.9° | 60.5° |
| H27 | C31 | C32 | H29 | 67.4° | 58.4° |
| H27 | C31 | C32 | H30 | 171.3° | 179.7° |
| H28 | C31 | C32 | H29 | 51.9° | 62.5° |
| H28 | C31 | C32 | H30 | 69.4° | 59.4° |
| H29 | C32 | C33 | H31 | 57.9° | 60.3° |
| H29 | C32 | C33 | H32 | 62.2° | 59.1° |
| H30 | C32 | C33 | H31 | 63.5° | 177.8° |
| H30 | C32 | C33 | H32 | 176.4° | 62.8° |
| H33 | C36 | H34 | H35 | 120.0° | 120.0° |
| H36 | C37 | H37 | H38 | 120.0° | 120.0° |
