68K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C15 | sing | 1.53Å | 1.54Å | |
| C24 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C18 | C15 | sing | 1.53Å | 1.51Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | C1 | sing | 1.48Å | 1.42Å | |
| C20 | C25 | sing | 1.51Å | 1.56Å | |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C6 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C13 | N2 | sing | 1.46Å | 1.45Å | |
| O1 | C12 | doub | 1.21Å | 1.22Å | |
| C2 | C3 | doub | 1.36Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.51Å | 1.53Å | |
| C5 | C9 | doub | 1.41Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.42Å | 1.40Å | Aromatic |
| C12 | N2 | sing | 1.35Å | 1.31Å | |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C9 | C8 | sing | 1.36Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.40Å | Aromatic |
| C4 | N1 | doub | 1.34Å | 1.36Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | N4 | sing | 1.32Å | 1.34Å | Aromatic |
| C8 | C10 | sing | 1.51Å | 1.53Å | |
| C8 | C7 | doub | 1.40Å | 1.41Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C7 | sing | 1.32Å | 1.34Å | Aromatic |
| N4 | C31 | doub | 1.32Å | 1.33Å | Aromatic |
| C7 | N3 | sing | 1.39Å | 1.34Å | |
| C29 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | C30 | sing | 1.39Å | 1.41Å | Aromatic |
| C30 | N5 | sing | 1.40Å | 1.34Å | |
| N5 | C32 | sing | 1.35Å | 1.33Å | |
| O2 | C32 | doub | 1.22Å | 1.22Å | |
| C32 | C33 | sing | 1.48Å | 1.52Å | |
| C33 | C38 | doub | 1.40Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.40Å | 1.39Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| C35 | C36 | sing | 1.39Å | 1.39Å | Aromatic |
| C36 | F1 | sing | 1.35Å | 1.35Å | |
| C16 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| N3 | H19 | sing | 0.97Å | 1.00Å | |
| N3 | H20 | sing | 0.97Å | 1.00Å | |
| C9 | H21 | sing | 1.08Å | 1.08Å | |
| C6 | H22 | sing | 1.08Å | 1.08Å | |
| C3 | H23 | sing | 1.08Å | 1.08Å | |
| C2 | H24 | sing | 1.08Å | 1.08Å | |
| C24 | H25 | sing | 1.08Å | 1.08Å | |
| C23 | H26 | sing | 1.08Å | 1.08Å | |
| C22 | H27 | sing | 1.08Å | 1.08Å | |
| C21 | H28 | sing | 1.08Å | 1.08Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.08Å | 1.08Å | |
| C29 | H34 | sing | 1.08Å | 1.08Å | |
| C31 | H35 | sing | 1.08Å | 1.08Å | |
| N5 | H36 | sing | 0.97Å | 1.00Å | |
| C34 | H37 | sing | 1.08Å | 1.08Å | |
| C35 | H38 | sing | 1.08Å | 1.08Å | |
| C37 | H39 | sing | 1.08Å | 1.08Å | |
| C38 | H40 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C23 | C24 | 121.0° | 120.1° |
| C23 | C22 | C21 | 118.8° | 120.2° |
| C22 | C23 | H26 | 119.5° | 119.9° |
| C23 | C22 | H27 | 120.6° | 119.9° |
| C23 | C24 | C19 | 120.3° | 119.9° |
| C23 | C24 | H25 | 119.9° | 120.1° |
| C24 | C23 | H26 | 119.5° | 120.0° |
| C22 | C21 | C20 | 120.4° | 120.1° |
| C21 | C22 | H27 | 120.6° | 119.9° |
| C22 | C21 | H28 | 119.8° | 119.9° |
| C17 | C15 | C16 | 111.0° | 109.5° |
| C17 | C15 | C18 | 110.9° | 109.5° |
| C17 | C15 | C14 | 109.2° | 109.5° |
| C15 | C17 | H4 | 109.5° | 109.5° |
| C15 | C17 | H5 | 109.4° | 109.5° |
| C15 | C17 | H6 | 109.5° | 109.5° |
| C24 | C19 | C20 | 119.0° | 119.8° |
| C24 | C19 | C1 | 125.3° | 120.1° |
| C19 | C24 | H25 | 119.9° | 120.1° |
| C21 | C20 | C19 | 120.5° | 119.8° |
| C21 | C20 | C25 | 116.0° | 120.1° |
| C20 | C21 | H28 | 119.8° | 119.9° |
| C16 | C15 | C18 | 107.0° | 109.5° |
| C16 | C15 | C14 | 109.7° | 109.5° |
| C15 | C16 | H1 | 109.5° | 109.4° |
| C15 | C16 | H2 | 109.5° | 109.4° |
| C15 | C16 | H3 | 109.5° | 109.5° |
| C18 | C15 | C14 | 109.0° | 109.5° |
| C15 | C18 | H7 | 109.5° | 109.5° |
| C15 | C18 | H8 | 109.5° | 109.5° |
| C15 | C18 | H9 | 109.5° | 109.5° |
| C15 | C14 | C13 | 114.0° | 109.5° |
| C15 | C14 | H10 | 108.3° | 109.5° |
| C15 | C14 | H11 | 108.4° | 109.5° |
| C20 | C19 | C1 | 115.6° | 120.1° |
| C19 | C20 | C25 | 123.4° | 120.1° |
| C19 | C1 | C6 | 121.9° | 119.8° |
| C19 | C1 | C2 | 119.9° | 119.8° |
| C20 | C25 | C26 | 112.5° | 109.5° |
| C20 | C25 | H29 | 108.7° | 109.4° |
| C20 | C25 | H30 | 108.7° | 109.5° |
| C6 | C1 | C2 | 118.0° | 120.4° |
| C1 | C6 | C5 | 120.4° | 119.4° |
| C1 | C6 | H22 | 119.8° | 120.3° |
| C1 | C2 | C3 | 122.2° | 120.9° |
| C1 | C2 | H24 | 118.9° | 119.5° |
| C14 | C13 | N2 | 108.5° | 109.5° |
| C13 | C14 | H10 | 108.3° | 109.5° |
| C13 | C14 | H11 | 108.3° | 109.4° |
| C14 | C13 | H12 | 109.8° | 109.5° |
| C14 | C13 | H13 | 109.7° | 109.5° |
| C6 | C5 | C9 | 120.6° | 121.2° |
| C6 | C5 | C4 | 121.3° | 119.7° |
| C5 | C6 | H22 | 119.8° | 120.3° |
| C25 | C26 | C27 | 113.9° | 109.5° |
| C26 | C25 | H29 | 108.7° | 109.4° |
| C26 | C25 | H30 | 108.7° | 109.5° |
| C25 | C26 | H31 | 108.3° | 109.4° |
| C25 | C26 | H32 | 108.4° | 109.5° |
| C13 | N2 | C12 | 122.1° | 120.0° |
| N2 | C13 | H12 | 109.7° | 109.4° |
| N2 | C13 | H13 | 109.7° | 109.5° |
| C13 | N2 | H14 | 119.0° | 120.0° |
| O1 | C12 | N2 | 122.2° | 120.0° |
| O1 | C12 | C11 | 122.0° | 120.0° |
| C2 | C3 | C4 | 119.9° | 120.1° |
| C2 | C3 | H23 | 120.1° | 119.9° |
| C3 | C2 | H24 | 118.9° | 119.6° |
| C26 | C27 | C28 | 120.4° | 119.6° |
| C26 | C27 | N4 | 120.7° | 119.5° |
| C27 | C26 | H31 | 108.3° | 109.4° |
| C27 | C26 | H32 | 108.3° | 109.5° |
| C9 | C5 | C4 | 118.1° | 119.1° |
| C5 | C9 | C8 | 120.2° | 118.4° |
| C5 | C9 | H21 | 119.9° | 120.8° |
| C5 | C4 | C3 | 118.2° | 119.4° |
| C5 | C4 | N1 | 121.3° | 119.9° |
| N2 | C12 | C11 | 115.7° | 120.0° |
| C12 | N2 | H14 | 118.9° | 120.0° |
| C12 | C11 | C10 | 114.3° | 109.5° |
| C12 | C11 | H15 | 108.3° | 109.5° |
| C12 | C11 | H16 | 108.2° | 109.5° |
| C9 | C8 | C10 | 115.5° | 120.1° |
| C9 | C8 | C7 | 119.2° | 119.8° |
| C8 | C9 | H21 | 119.9° | 120.8° |
| C3 | C4 | N1 | 120.5° | 120.7° |
| C4 | C3 | H23 | 120.1° | 120.0° |
| C4 | N1 | C7 | 121.3° | 121.3° |
| C11 | C10 | C8 | 109.9° | 109.5° |
| C10 | C11 | H15 | 108.2° | 109.4° |
| C10 | C11 | H16 | 108.2° | 109.5° |
| C11 | C10 | H17 | 109.4° | 109.5° |
| C11 | C10 | H18 | 109.4° | 109.5° |
| C28 | C27 | N4 | 118.9° | 120.9° |
| C27 | C28 | C29 | 119.7° | 119.2° |
| C27 | C28 | H33 | 120.2° | 120.4° |
| C27 | N4 | C31 | 123.4° | 121.8° |
| C10 | C8 | C7 | 125.3° | 120.0° |
| C8 | C10 | H17 | 109.4° | 109.4° |
| C8 | C10 | H18 | 109.4° | 109.5° |
| C8 | C7 | N1 | 119.8° | 121.5° |
| C8 | C7 | N3 | 120.6° | 119.3° |
| C28 | C29 | C30 | 120.2° | 118.4° |
| C29 | C28 | H33 | 120.2° | 120.4° |
| C28 | C29 | H34 | 119.9° | 120.8° |
| N1 | C7 | N3 | 119.5° | 119.2° |
| N4 | C31 | C30 | 120.2° | 120.6° |
| N4 | C31 | H35 | 119.9° | 119.6° |
| C7 | N3 | H19 | 109.5° | 120.0° |
| C7 | N3 | H20 | 109.5° | 120.0° |
| C29 | C30 | C31 | 117.6° | 119.0° |
| C29 | C30 | N5 | 117.3° | 120.5° |
| C30 | C29 | H34 | 119.9° | 120.8° |
| C31 | C30 | N5 | 125.1° | 120.5° |
| C30 | C31 | H35 | 119.9° | 119.7° |
| C30 | N5 | C32 | 126.1° | 120.0° |
| C30 | N5 | H36 | 116.9° | 120.0° |
| N5 | C32 | O2 | 125.7° | 119.9° |
| N5 | C32 | C33 | 117.5° | 120.0° |
| C32 | N5 | H36 | 117.0° | 120.0° |
| O2 | C32 | C33 | 116.8° | 120.0° |
| C32 | C33 | C38 | 117.5° | 120.1° |
| C32 | C33 | C34 | 122.3° | 120.1° |
| C38 | C33 | C34 | 120.1° | 119.8° |
| C33 | C38 | C37 | 120.1° | 119.8° |
| C33 | C38 | H40 | 119.9° | 120.0° |
| C33 | C34 | C35 | 120.0° | 119.9° |
| C33 | C34 | H37 | 120.0° | 120.1° |
| C38 | C37 | C36 | 119.3° | 120.2° |
| C38 | C37 | H39 | 120.4° | 119.9° |
| C37 | C38 | H40 | 119.9° | 120.1° |
| C34 | C35 | C36 | 119.9° | 120.1° |
| C35 | C34 | H37 | 120.0° | 120.0° |
| C34 | C35 | H38 | 120.0° | 120.0° |
| C37 | C36 | C35 | 120.5° | 120.2° |
| C37 | C36 | F1 | 119.6° | 119.9° |
| C36 | C37 | H39 | 120.3° | 119.9° |
| C35 | C36 | F1 | 119.8° | 119.9° |
| C36 | C35 | H38 | 120.1° | 119.9° |
| H1 | C16 | H2 | 109.5° | 109.5° |
| H1 | C16 | H3 | 109.4° | 109.5° |
| H2 | C16 | H3 | 109.5° | 109.5° |
| H4 | C17 | H5 | 109.5° | 109.5° |
| H4 | C17 | H6 | 109.4° | 109.4° |
| H5 | C17 | H6 | 109.4° | 109.4° |
| H7 | C18 | H8 | 109.4° | 109.4° |
| H7 | C18 | H9 | 109.5° | 109.5° |
| H8 | C18 | H9 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.5° | 109.4° |
| H17 | C10 | H18 | 109.4° | 109.5° |
| H19 | N3 | H20 | 109.5° | 120.0° |
| H29 | C25 | H30 | 109.5° | 109.5° |
| H31 | C26 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C23 | C24 | H26 | 180.0° | 180.0° |
| C23 | C22 | C21 | H27 | 180.0° | 180.0° |
| C22 | C23 | C24 | C19 | 0.5° | 0.0° |
| C23 | C22 | C21 | C20 | 0.0° | 0.0° |
| C22 | C23 | C24 | H25 | 179.5° | 179.9° |
| C23 | C22 | C21 | H28 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 0.3° | 0.0° |
| C23 | C24 | C19 | H25 | 180.0° | 179.9° |
| C23 | C24 | C19 | C20 | 1.7° | 0.0° |
| C23 | C24 | C19 | C1 | 179.2° | 179.7° |
| C24 | C23 | C22 | H27 | 179.7° | 180.0° |
| C22 | C21 | C20 | H28 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 1.2° | 0.0° |
| C22 | C21 | C20 | C25 | 179.4° | 179.7° |
| C21 | C22 | C23 | H26 | 179.7° | 180.0° |
| C17 | C15 | C16 | C18 | 121.1° | 120.0° |
| C17 | C15 | C16 | C14 | 120.8° | 120.0° |
| C17 | C15 | C18 | C14 | 120.3° | 120.0° |
| C17 | C15 | C14 | C13 | 61.9° | 60.0° |
| C17 | C15 | C16 | H1 | 180.0° | 180.0° |
| C17 | C15 | C16 | H2 | 60.0° | 60.0° |
| C17 | C15 | C16 | H3 | 60.0° | 60.0° |
| C15 | C17 | H4 | H5 | 120.0° | 120.0° |
| C15 | C17 | H4 | H6 | 120.0° | 120.0° |
| C15 | C17 | H5 | H6 | 120.0° | 120.0° |
| C17 | C15 | C18 | H7 | 180.0° | 180.0° |
| C17 | C15 | C18 | H8 | 60.0° | 60.1° |
| C17 | C15 | C18 | H9 | 60.0° | 60.0° |
| C17 | C15 | C14 | H10 | 177.5° | 60.0° |
| C17 | C15 | C14 | H11 | 58.8° | 180.0° |
| C24 | C19 | C20 | C21 | 2.0° | 0.0° |
| C24 | C19 | C20 | C1 | 177.8° | 179.7° |
| C24 | C19 | C20 | C25 | 179.9° | 179.7° |
| C24 | C19 | C1 | C6 | 105.6° | 56.5° |
| C24 | C19 | C1 | C2 | 79.3° | 123.5° |
| C19 | C24 | C23 | H26 | 179.4° | 180.0° |
| C21 | C20 | C19 | C25 | 178.1° | 179.8° |
| C21 | C20 | C19 | C1 | 179.8° | 179.7° |
| C21 | C20 | C25 | C26 | 98.0° | 98.9° |
| C20 | C21 | C22 | H27 | 180.0° | 180.0° |
| C21 | C20 | C25 | H29 | 22.4° | 21.0° |
| C21 | C20 | C25 | H30 | 141.5° | 141.0° |
| C16 | C15 | C18 | C14 | 118.6° | 120.0° |
| C16 | C15 | C14 | C13 | 176.2° | 60.0° |
| C15 | C16 | H1 | H2 | 120.0° | 120.0° |
| C15 | C16 | H1 | H3 | 120.0° | 120.0° |
| C15 | C16 | H2 | H3 | 120.0° | 120.0° |
| C16 | C15 | C17 | H4 | 180.0° | 60.0° |
| C16 | C15 | C17 | H5 | 60.0° | 180.0° |
| C16 | C15 | C17 | H6 | 60.0° | 60.0° |
| C16 | C15 | C18 | H7 | 58.8° | 60.0° |
| C16 | C15 | C18 | H8 | 178.8° | 179.9° |
| C16 | C15 | C18 | H9 | 61.2° | 60.0° |
| C16 | C15 | C14 | H10 | 55.6° | 180.0° |
| C16 | C15 | C14 | H11 | 63.1° | 60.0° |
| C18 | C15 | C14 | C13 | 59.4° | 180.0° |
| C18 | C15 | C16 | H1 | 58.9° | 60.0° |
| C18 | C15 | C16 | H2 | 61.1° | 60.0° |
| C18 | C15 | C16 | H3 | 178.9° | 180.0° |
| C18 | C15 | C17 | H4 | 61.2° | 60.0° |
| C18 | C15 | C17 | H5 | 178.8° | 60.0° |
| C18 | C15 | C17 | H6 | 58.8° | 180.0° |
| C15 | C18 | H7 | H8 | 120.0° | 120.0° |
| C15 | C18 | H7 | H9 | 120.0° | 120.0° |
| C15 | C18 | H8 | H9 | 120.0° | 120.1° |
| C18 | C15 | C14 | H10 | 61.3° | 60.0° |
| C18 | C15 | C14 | H11 | 180.0° | 60.0° |
| C15 | C14 | C13 | H10 | 120.7° | 120.0° |
| C15 | C14 | C13 | H11 | 120.7° | 120.0° |
| C15 | C14 | C13 | N2 | 171.2° | 180.0° |
| C14 | C15 | C16 | H1 | 59.2° | 60.0° |
| C14 | C15 | C16 | H2 | 179.2° | 180.0° |
| C14 | C15 | C16 | H3 | 60.8° | 60.0° |
| C14 | C15 | C17 | H4 | 58.9° | 180.0° |
| C14 | C15 | C17 | H5 | 61.1° | 60.0° |
| C14 | C15 | C17 | H6 | 178.9° | 60.0° |
| C14 | C15 | C18 | H7 | 59.7° | 60.0° |
| C14 | C15 | C18 | H8 | 60.3° | 60.0° |
| C14 | C15 | C18 | H9 | 179.7° | 180.0° |
| C15 | C14 | H10 | H11 | 118.0° | 120.0° |
| C15 | C14 | C13 | H12 | 51.4° | 60.0° |
| C15 | C14 | C13 | H13 | 68.9° | 60.0° |
| C20 | C19 | C1 | C6 | 76.7° | 123.8° |
| C20 | C19 | C1 | C2 | 98.4° | 56.2° |
| C19 | C20 | C25 | C26 | 83.8° | 81.4° |
| C20 | C19 | C24 | H25 | 178.3° | 180.0° |
| C19 | C20 | C21 | H28 | 178.8° | 180.0° |
| C19 | C20 | C25 | H29 | 155.8° | 158.7° |
| C19 | C20 | C25 | H30 | 36.6° | 38.7° |
| C1 | C19 | C20 | C25 | 2.1° | 0.0° |
| C19 | C1 | C6 | C2 | 175.2° | 180.0° |
| C19 | C1 | C6 | C5 | 177.6° | 180.0° |
| C19 | C1 | C2 | C3 | 178.5° | 180.0° |
| C19 | C1 | C6 | H22 | 2.4° | 0.0° |
| C19 | C1 | C2 | H24 | 1.5° | 0.0° |
| C1 | C19 | C24 | H25 | 0.8° | 0.3° |
| C20 | C25 | C26 | H29 | 120.4° | 119.9° |
| C20 | C25 | C26 | H30 | 120.4° | 120.1° |
| C20 | C25 | C26 | C27 | 157.2° | 175.1° |
| C25 | C20 | C21 | H28 | 0.6° | 0.3° |
| C20 | C25 | H29 | H30 | 118.6° | 120.0° |
| C20 | C25 | C26 | H31 | 36.5° | 55.2° |
| C20 | C25 | C26 | H32 | 82.2° | 64.9° |
| C1 | C6 | C5 | H22 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 3.2° | 0.0° |
| C1 | C6 | C5 | C9 | 179.1° | 180.0° |
| C1 | C6 | C5 | C4 | 1.8° | 0.0° |
| C6 | C1 | C2 | H24 | 176.8° | 180.0° |
| C2 | C1 | C6 | C5 | 2.4° | 0.0° |
| C1 | C2 | C3 | H24 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 3.3° | 0.0° |
| C2 | C1 | C6 | H22 | 177.6° | 180.0° |
| C1 | C2 | C3 | H23 | 176.6° | 180.0° |
| C14 | C13 | N2 | H12 | 119.9° | 120.0° |
| C14 | C13 | N2 | H13 | 119.9° | 120.0° |
| C14 | C13 | N2 | C12 | 106.2° | 180.0° |
| C13 | C14 | H10 | H11 | 117.9° | 120.0° |
| C14 | C13 | H12 | H13 | 120.5° | 120.0° |
| C14 | C13 | N2 | H14 | 73.8° | 0.1° |
| C6 | C5 | C9 | C4 | 179.2° | 179.9° |
| C6 | C5 | C9 | C8 | 179.4° | 179.9° |
| C6 | C5 | C4 | C3 | 1.8° | 0.0° |
| C6 | C5 | C4 | N1 | 177.7° | 179.7° |
| C6 | C5 | C9 | H21 | 0.6° | 0.1° |
| C25 | C26 | C27 | H31 | 120.6° | 119.9° |
| C25 | C26 | C27 | H32 | 120.7° | 120.1° |
| C25 | C26 | C27 | C28 | 68.2° | 124.9° |
| C25 | C26 | C27 | N4 | 113.6° | 55.3° |
| C26 | C25 | H29 | H30 | 118.6° | 120.1° |
| C25 | C26 | H31 | H32 | 118.0° | 120.1° |
| C13 | N2 | C12 | O1 | 1.2° | 0.0° |
| C13 | N2 | C12 | H14 | 180.0° | 179.9° |
| C13 | N2 | C12 | C11 | 176.9° | 180.0° |
| N2 | C13 | C14 | H10 | 68.1° | 60.0° |
| N2 | C13 | C14 | H11 | 50.5° | 60.0° |
| N2 | C13 | H12 | H13 | 120.4° | 120.0° |
| O1 | C12 | N2 | C11 | 178.0° | 180.0° |
| O1 | C12 | C11 | C10 | 76.6° | 0.0° |
| O1 | C12 | N2 | H14 | 178.8° | 179.9° |
| O1 | C12 | C11 | H15 | 44.1° | 120.0° |
| O1 | C12 | C11 | H16 | 162.7° | 120.0° |
| C2 | C3 | C4 | C5 | 2.5° | 0.0° |
| C2 | C3 | C4 | H23 | 180.0° | 180.0° |
| C2 | C3 | C4 | N1 | 177.0° | 179.7° |
| C26 | C27 | C28 | N4 | 178.2° | 179.7° |
| C26 | C27 | C28 | C29 | 179.9° | 179.9° |
| C26 | C27 | N4 | C31 | 179.8° | 180.0° |
| C27 | C26 | C25 | H29 | 82.4° | 65.0° |
| C27 | C26 | C25 | H30 | 36.7° | 55.0° |
| C27 | C26 | H31 | H32 | 117.9° | 120.0° |
| C26 | C27 | C28 | H33 | 0.2° | 0.0° |
| C5 | C9 | C8 | H21 | 180.0° | 180.0° |
| C9 | C5 | C4 | C3 | 179.0° | 180.0° |
| C9 | C5 | C4 | N1 | 1.5° | 0.3° |
| C5 | C9 | C8 | C10 | 178.6° | 180.0° |
| C5 | C9 | C8 | C7 | 1.4° | 0.3° |
| C9 | C5 | C6 | H22 | 0.9° | 0.0° |
| C4 | C5 | C9 | C8 | 0.2° | 0.0° |
| C5 | C4 | C3 | N1 | 179.5° | 179.7° |
| C5 | C4 | N1 | C7 | 2.0° | 0.3° |
| C4 | C5 | C9 | H21 | 179.8° | 180.0° |
| C4 | C5 | C6 | H22 | 178.3° | 180.0° |
| C5 | C4 | C3 | H23 | 177.5° | 180.0° |
| N2 | C12 | C11 | C10 | 101.4° | 180.0° |
| C12 | N2 | C13 | H12 | 13.6° | 60.0° |
| C12 | N2 | C13 | H13 | 133.9° | 60.0° |
| N2 | C12 | C11 | H15 | 137.9° | 60.0° |
| N2 | C12 | C11 | H16 | 19.3° | 60.0° |
| C12 | C11 | C10 | H15 | 120.7° | 120.0° |
| C12 | C11 | C10 | H16 | 120.7° | 120.0° |
| C12 | C11 | C10 | C8 | 50.3° | NaN° |
| C11 | C12 | N2 | H14 | 3.1° | 0.1° |
| C12 | C11 | H15 | H16 | 117.8° | 120.0° |
| C12 | C11 | C10 | H17 | 69.8° | 60.0° |
| C12 | C11 | C10 | H18 | 170.4° | 60.0° |
| C9 | C8 | C10 | C11 | 106.7° | 99.7° |
| C9 | C8 | C10 | C7 | 180.0° | 179.6° |
| C9 | C8 | C7 | N1 | 0.9° | 0.4° |
| C9 | C8 | C7 | N3 | 178.9° | 179.7° |
| C9 | C8 | C10 | H17 | 13.4° | 20.3° |
| C9 | C8 | C10 | H18 | 133.2° | 140.3° |
| C3 | C4 | N1 | C7 | 178.5° | 180.0° |
| C4 | C3 | C2 | H24 | 176.7° | 180.0° |
| C4 | N1 | C7 | C8 | 0.8° | 0.1° |
| C4 | N1 | C7 | N3 | 179.4° | 180.0° |
| N1 | C4 | C3 | H23 | 3.0° | 0.3° |
| C11 | C10 | C8 | H17 | 120.1° | 120.0° |
| C11 | C10 | C8 | H18 | 120.1° | 120.0° |
| C11 | C10 | C8 | C7 | 73.3° | 80.0° |
| C10 | C11 | H15 | H16 | 117.8° | 120.0° |
| C11 | C10 | H17 | H18 | 119.8° | 120.0° |
| C27 | C28 | C29 | H33 | 180.0° | 179.9° |
| C28 | C27 | N4 | C31 | 1.5° | 0.2° |
| C27 | C28 | C29 | C30 | 1.5° | 0.1° |
| C28 | C27 | C26 | H31 | 52.4° | 5.0° |
| C28 | C27 | C26 | H32 | 171.1° | 115.0° |
| C27 | C28 | C29 | H34 | 178.5° | 180.0° |
| N4 | C27 | C28 | C29 | 1.6° | 0.2° |
| C27 | N4 | C31 | C30 | 1.2° | 0.0° |
| N4 | C27 | C26 | H31 | 125.8° | 175.3° |
| N4 | C27 | C26 | H32 | 7.1° | 64.7° |
| N4 | C27 | C28 | H33 | 178.4° | 179.7° |
| C27 | N4 | C31 | H35 | 178.7° | 180.0° |
| C10 | C8 | C7 | N1 | 179.0° | 180.0° |
| C10 | C8 | C7 | N3 | 1.1° | 0.1° |
| C8 | C10 | C11 | H15 | 171.1° | 60.0° |
| C8 | C10 | C11 | H16 | 70.4° | 60.0° |
| C8 | C10 | H17 | H18 | 119.8° | 120.0° |
| C10 | C8 | C9 | H21 | 1.4° | 0.0° |
| C8 | C7 | N1 | N3 | 179.9° | 179.9° |
| C7 | C8 | C10 | H17 | 166.7° | 160.0° |
| C7 | C8 | C10 | H18 | 46.8° | 40.1° |
| C8 | C7 | N3 | H19 | 179.9° | 0.1° |
| C8 | C7 | N3 | H20 | 59.8° | 180.0° |
| C7 | C8 | C9 | H21 | 178.6° | 179.7° |
| C28 | C29 | C30 | H34 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 1.2° | 0.3° |
| C28 | C29 | C30 | N5 | 179.9° | 179.9° |
| N1 | C7 | N3 | H19 | 0.0° | 180.0° |
| N1 | C7 | N3 | H20 | 120.0° | 0.1° |
| N4 | C31 | C30 | C29 | 1.0° | 0.3° |
| N4 | C31 | C30 | H35 | 180.0° | 180.0° |
| N4 | C31 | C30 | N5 | 179.6° | 180.0° |
| C7 | N3 | H19 | H20 | 120.0° | 179.9° |
| C29 | C30 | C31 | N5 | 178.6° | 179.7° |
| C29 | C30 | N5 | C32 | 179.5° | 32.2° |
| C30 | C29 | C28 | H33 | 178.5° | 180.0° |
| C29 | C30 | C31 | H35 | 179.0° | 179.7° |
| C29 | C30 | N5 | H36 | 0.5° | 147.7° |
| C31 | C30 | N5 | C32 | 0.9° | 147.5° |
| C31 | C30 | C29 | H34 | 178.8° | 179.8° |
| C31 | C30 | N5 | H36 | 179.1° | 32.6° |
| C30 | N5 | C32 | H36 | 180.0° | 179.9° |
| C30 | N5 | C32 | O2 | 1.5° | 5.6° |
| C30 | N5 | C32 | C33 | 179.5° | 174.5° |
| N5 | C30 | C29 | H34 | 0.1° | 0.0° |
| N5 | C30 | C31 | H35 | 0.3° | 0.0° |
| N5 | C32 | O2 | C33 | 178.0° | 179.9° |
| N5 | C32 | C33 | C38 | 153.2° | 180.0° |
| N5 | C32 | C33 | C34 | 29.0° | 0.3° |
| O2 | C32 | C33 | C38 | 28.6° | 0.0° |
| O2 | C32 | C33 | C34 | 149.2° | 179.7° |
| O2 | C32 | N5 | H36 | 178.6° | 174.5° |
| C32 | C33 | C38 | C34 | 177.9° | 179.7° |
| C32 | C33 | C38 | C37 | 179.1° | 179.8° |
| C32 | C33 | C34 | C35 | 178.5° | 180.0° |
| C33 | C32 | N5 | H36 | 0.5° | 5.4° |
| C32 | C33 | C34 | H37 | 1.5° | 0.1° |
| C32 | C33 | C38 | H40 | 0.9° | 0.0° |
| C33 | C38 | C37 | H40 | 180.0° | 179.8° |
| C38 | C33 | C34 | C35 | 0.7° | 0.3° |
| C33 | C38 | C37 | C36 | 0.5° | 0.5° |
| C38 | C33 | C34 | H37 | 179.2° | 179.8° |
| C33 | C38 | C37 | H39 | 179.6° | 179.7° |
| C34 | C33 | C38 | C37 | 1.2° | 0.5° |
| C33 | C34 | C35 | H37 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.5° | 0.1° |
| C33 | C34 | C35 | H38 | 179.5° | 180.0° |
| C34 | C33 | C38 | H40 | 178.8° | 179.7° |
| C38 | C37 | C36 | H39 | 180.0° | 179.8° |
| C38 | C37 | C36 | C35 | 0.8° | 0.3° |
| C38 | C37 | C36 | F1 | 179.7° | 179.8° |
| C34 | C35 | C36 | C37 | 1.2° | 0.1° |
| C34 | C35 | C36 | H38 | 180.0° | 179.9° |
| C34 | C35 | C36 | F1 | 179.9° | 180.0° |
| C37 | C36 | C35 | F1 | 178.9° | 179.9° |
| C37 | C36 | C35 | H38 | 178.7° | 180.0° |
| C36 | C37 | C38 | H40 | 179.5° | 179.7° |
| C36 | C35 | C34 | H37 | 179.5° | 180.0° |
| C35 | C36 | C37 | H39 | 179.2° | 179.9° |
| F1 | C36 | C35 | H38 | 0.1° | 0.0° |
| F1 | C36 | C37 | H39 | 0.3° | 0.0° |
| H1 | C16 | H2 | H3 | 120.0° | 120.0° |
| H4 | C17 | H5 | H6 | 120.0° | 119.9° |
| H7 | C18 | H8 | H9 | 120.0° | 119.9° |
| H10 | C14 | C13 | H12 | 172.1° | 180.0° |
| H10 | C14 | C13 | H13 | 51.7° | 60.0° |
| H11 | C14 | C13 | H12 | 69.3° | 60.0° |
| H11 | C14 | C13 | H13 | 170.4° | 180.0° |
| H12 | C13 | N2 | H14 | 166.4° | 120.1° |
| H13 | C13 | N2 | H14 | 46.1° | 120.0° |
| H15 | C11 | C10 | H17 | 51.0° | 179.9° |
| H15 | C11 | C10 | H18 | 68.9° | 60.0° |
| H16 | C11 | C10 | H17 | 169.5° | 60.0° |
| H16 | C11 | C10 | H18 | 49.7° | 180.0° |
| H23 | C3 | C2 | H24 | 3.4° | 0.0° |
| H25 | C24 | C23 | H26 | 0.6° | 0.1° |
| H26 | C23 | C22 | H27 | 0.3° | 0.0° |
| H27 | C22 | C21 | H28 | 0.0° | 0.0° |
| H29 | C25 | C26 | H31 | 157.0° | 175.1° |
| H29 | C25 | C26 | H32 | 38.3° | 55.0° |
| H30 | C25 | C26 | H31 | 83.9° | 64.9° |
| H30 | C25 | C26 | H32 | 157.4° | 175.0° |
| H33 | C28 | C29 | H34 | 1.5° | 0.1° |
| H37 | C34 | C35 | H38 | 0.5° | 0.1° |
| H39 | C37 | C38 | H40 | 0.4° | 0.1° |
