MRV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F2 | C18 | sing | 1.40Å | 1.37Å | |
| F1 | C18 | sing | 1.40Å | 1.37Å | |
| C18 | C23 | sing | 1.53Å | 1.54Å | |
| C18 | C24 | sing | 1.53Å | 1.57Å | |
| C23 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | C17 | sing | 1.53Å | 1.54Å | |
| C24 | C22 | sing | 1.53Å | 1.55Å | |
| C14 | C7 | sing | 1.51Å | 1.54Å | |
| C22 | C17 | sing | 1.53Å | 1.56Å | |
| C17 | C16 | sing | 1.51Å | 1.52Å | |
| C8 | C2 | sing | 1.55Å | 1.54Å | |
| C8 | C9 | sing | 1.54Å | 1.55Å | |
| O1 | C16 | doub | 1.21Å | 1.24Å | |
| C7 | N4 | doub | 1.31Å | 1.34Å | Aromatic |
| C7 | N1 | sing | 1.35Å | 1.33Å | Aromatic |
| C5 | C2 | sing | 1.54Å | 1.54Å | |
| C5 | C1 | sing | 1.53Å | 1.54Å | |
| C16 | N5 | sing | 1.35Å | 1.36Å | |
| C2 | N2 | sing | 1.49Å | 1.48Å | |
| N4 | N3 | sing | 1.29Å | 1.22Å | Aromatic |
| N1 | C1 | sing | 1.47Å | 1.52Å | |
| N1 | C4 | sing | 1.36Å | 1.35Å | Aromatic |
| C1 | C6 | sing | 1.53Å | 1.56Å | |
| C9 | C3 | sing | 1.55Å | 1.54Å | |
| N3 | C4 | doub | 1.31Å | 1.34Å | Aromatic |
| N5 | C13 | sing | 1.46Å | 1.47Å | |
| C12 | C10 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C4 | C11 | sing | 1.51Å | 1.55Å | |
| N2 | C10 | sing | 1.47Å | 1.48Å | |
| N2 | C3 | sing | 1.49Å | 1.49Å | |
| C13 | C15 | sing | 1.51Å | 1.40Å | |
| C3 | C6 | sing | 1.54Å | 1.55Å | |
| C19 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C20 | sing | 1.53Å | 1.54Å | |
| C15 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.08Å | 1.08Å | |
| C26 | H29 | sing | 1.08Å | 1.08Å | |
| C27 | H30 | sing | 1.08Å | 1.08Å | |
| C28 | H31 | sing | 1.08Å | 1.08Å | |
| C29 | H32 | sing | 1.08Å | 1.08Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| N5 | H34 | sing | 0.97Å | 1.00Å | |
| C5 | H35 | sing | 1.09Å | 1.10Å | |
| C5 | H36 | sing | 1.09Å | 1.10Å | |
| C6 | H37 | sing | 1.09Å | 1.10Å | |
| C6 | H38 | sing | 1.09Å | 1.10Å | |
| C8 | H39 | sing | 1.09Å | 1.10Å | |
| C8 | H40 | sing | 1.09Å | 1.10Å | |
| C9 | H41 | sing | 1.09Å | 1.10Å | |
| C9 | H42 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F2 | C18 | F1 | 106.9° | 109.4° |
| F2 | C18 | C23 | 108.4° | 109.5° |
| F2 | C18 | C24 | 111.6° | 109.5° |
| F1 | C18 | C23 | 109.6° | 109.5° |
| F1 | C18 | C24 | 110.1° | 109.5° |
| C23 | C18 | C24 | 110.2° | 109.5° |
| C18 | C23 | C21 | 109.9° | 109.5° |
| C18 | C23 | H24 | 109.3° | 109.4° |
| C18 | C23 | H25 | 109.4° | 109.5° |
| C18 | C24 | C22 | 111.1° | 109.5° |
| C18 | C24 | H26 | 109.1° | 109.4° |
| C18 | C24 | H27 | 109.0° | 109.5° |
| C23 | C21 | C17 | 109.3° | 109.4° |
| C23 | C21 | H20 | 109.5° | 109.5° |
| C23 | C21 | H21 | 109.5° | 109.5° |
| C21 | C23 | H24 | 109.4° | 109.5° |
| C21 | C23 | H25 | 109.4° | 109.5° |
| C21 | C17 | C22 | 112.1° | 109.5° |
| C21 | C17 | C16 | 107.2° | 109.4° |
| C21 | C17 | H11 | 108.9° | 109.5° |
| C17 | C21 | H20 | 109.5° | 109.5° |
| C17 | C21 | H21 | 109.5° | 109.5° |
| C24 | C22 | C17 | 110.9° | 109.5° |
| C24 | C22 | H22 | 109.1° | 109.4° |
| C24 | C22 | H23 | 109.2° | 109.4° |
| C22 | C24 | H26 | 109.1° | 109.5° |
| C22 | C24 | H27 | 109.0° | 109.5° |
| C14 | C7 | N4 | 124.5° | 126.3° |
| C14 | C7 | N1 | 125.9° | 126.3° |
| C7 | C14 | H8 | 109.5° | 109.4° |
| C7 | C14 | H9 | 109.5° | 109.5° |
| C7 | C14 | H10 | 109.5° | 109.5° |
| C22 | C17 | C16 | 111.0° | 109.5° |
| C22 | C17 | H11 | 108.6° | 109.5° |
| C17 | C22 | H22 | 109.1° | 109.5° |
| C17 | C22 | H23 | 109.1° | 109.5° |
| C17 | C16 | O1 | 120.6° | 120.1° |
| C17 | C16 | N5 | 114.5° | 120.0° |
| C16 | C17 | H11 | 109.1° | 109.5° |
| C2 | C8 | C9 | 104.8° | 104.8° |
| C8 | C2 | C5 | 112.7° | 107.8° |
| C8 | C2 | N2 | 103.6° | 104.3° |
| C8 | C2 | H16 | 110.1° | 112.2° |
| C2 | C8 | H39 | 110.6° | 110.4° |
| C2 | C8 | H40 | 110.6° | 110.4° |
| C8 | C9 | C3 | 104.0° | 104.8° |
| C9 | C8 | H39 | 110.6° | 110.3° |
| C9 | C8 | H40 | 110.6° | 110.4° |
| C8 | C9 | H41 | 110.8° | 110.4° |
| C8 | C9 | H42 | 110.8° | 110.4° |
| O1 | C16 | N5 | 124.8° | 120.0° |
| N4 | C7 | N1 | 109.6° | 107.3° |
| C7 | N4 | N3 | 109.3° | 109.7° |
| C7 | N1 | C1 | 125.3° | 127.0° |
| C7 | N1 | C4 | 102.7° | 106.1° |
| C2 | C5 | C1 | 109.8° | 108.9° |
| C5 | C2 | N2 | 109.2° | 107.2° |
| C5 | C2 | H16 | 110.1° | 112.6° |
| C2 | C5 | H35 | 109.4° | 109.6° |
| C2 | C5 | H36 | 109.4° | 109.5° |
| C5 | C1 | N1 | 113.6° | 109.4° |
| C5 | C1 | C6 | 115.3° | 109.7° |
| C5 | C1 | H1 | 102.3° | 109.4° |
| C1 | C5 | H35 | 109.4° | 109.6° |
| C1 | C5 | H36 | 109.4° | 109.6° |
| C16 | N5 | C13 | 121.6° | 120.0° |
| C16 | N5 | H34 | 119.2° | 120.0° |
| C2 | N2 | C10 | 111.7° | 111.0° |
| C2 | N2 | C3 | 102.0° | 103.4° |
| N2 | C2 | H16 | 111.0° | 112.2° |
| N4 | N3 | C4 | 108.9° | 109.6° |
| C1 | N1 | C4 | 131.8° | 126.9° |
| N1 | C1 | C6 | 117.9° | 109.5° |
| N1 | C1 | H1 | 102.5° | 109.4° |
| N1 | C4 | N3 | 109.5° | 107.3° |
| N1 | C4 | C11 | 125.3° | 126.4° |
| C1 | C6 | C3 | 111.4° | 108.9° |
| C6 | C1 | H1 | 102.1° | 109.4° |
| C1 | C6 | H37 | 109.0° | 109.6° |
| C1 | C6 | H38 | 109.0° | 109.5° |
| C9 | C3 | N2 | 103.6° | 104.3° |
| C9 | C3 | C6 | 109.7° | 107.8° |
| C9 | C3 | H33 | 110.8° | 112.7° |
| C3 | C9 | H41 | 110.8° | 110.3° |
| C3 | C9 | H42 | 110.8° | 110.4° |
| N3 | C4 | C11 | 124.9° | 126.3° |
| N5 | C13 | C12 | 108.1° | 109.5° |
| N5 | C13 | C15 | 114.3° | 109.5° |
| N5 | C13 | H7 | 107.4° | 109.5° |
| C13 | N5 | H34 | 119.2° | 120.0° |
| C10 | C12 | C13 | 109.4° | 109.4° |
| C12 | C10 | N2 | 112.0° | 109.5° |
| C12 | C10 | H2 | 108.8° | 109.5° |
| C12 | C10 | H3 | 108.8° | 109.5° |
| C10 | C12 | H5 | 109.5° | 109.5° |
| C10 | C12 | H6 | 109.5° | 109.5° |
| C12 | C13 | C15 | 111.5° | 109.4° |
| C13 | C12 | H5 | 109.5° | 109.5° |
| C13 | C12 | H6 | 109.5° | 109.4° |
| C12 | C13 | H7 | 106.8° | 109.5° |
| C4 | C11 | C19 | 112.5° | 109.5° |
| C4 | C11 | C20 | 108.8° | 109.5° |
| C4 | C11 | H4 | 107.2° | 109.5° |
| C10 | N2 | C3 | 112.4° | 111.0° |
| N2 | C10 | H2 | 108.8° | 109.4° |
| N2 | C10 | H3 | 108.8° | 109.4° |
| N2 | C3 | C6 | 110.4° | 107.2° |
| N2 | C3 | H33 | 111.5° | 112.2° |
| C13 | C15 | C26 | 122.0° | 120.0° |
| C13 | C15 | C25 | 117.8° | 120.0° |
| C15 | C13 | H7 | 108.4° | 109.5° |
| C6 | C3 | H33 | 110.6° | 112.1° |
| C3 | C6 | H37 | 109.0° | 109.6° |
| C3 | C6 | H38 | 109.0° | 109.6° |
| C19 | C11 | C20 | 113.3° | 109.5° |
| C19 | C11 | H4 | 107.4° | 109.4° |
| C11 | C19 | H12 | 109.5° | 109.5° |
| C11 | C19 | H13 | 109.5° | 109.5° |
| C11 | C19 | H14 | 109.4° | 109.5° |
| C20 | C11 | H4 | 107.4° | 109.5° |
| C11 | C20 | H17 | 109.5° | 109.5° |
| C11 | C20 | H18 | 109.4° | 109.5° |
| C11 | C20 | H19 | 109.5° | 109.5° |
| C26 | C15 | C25 | 120.1° | 120.0° |
| C15 | C26 | C28 | 119.9° | 120.0° |
| C15 | C26 | H29 | 120.1° | 120.0° |
| C15 | C25 | C27 | 120.0° | 120.0° |
| C15 | C25 | H28 | 120.0° | 120.0° |
| C26 | C28 | C29 | 119.8° | 120.0° |
| C28 | C26 | H29 | 120.1° | 120.0° |
| C26 | C28 | H31 | 120.1° | 120.0° |
| C25 | C27 | C29 | 119.8° | 120.0° |
| C27 | C25 | H28 | 120.0° | 120.0° |
| C25 | C27 | H30 | 120.1° | 120.0° |
| C28 | C29 | C27 | 120.4° | 120.0° |
| C29 | C28 | H31 | 120.1° | 120.0° |
| C28 | C29 | H32 | 119.8° | 120.0° |
| C29 | C27 | H30 | 120.1° | 120.0° |
| C27 | C29 | H32 | 119.8° | 120.0° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H8 | C14 | H9 | 109.4° | 109.5° |
| H8 | C14 | H10 | 109.4° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.5° | 109.5° |
| H12 | C19 | H14 | 109.5° | 109.5° |
| H13 | C19 | H14 | 109.5° | 109.4° |
| H17 | C20 | H18 | 109.5° | 109.4° |
| H17 | C20 | H19 | 109.5° | 109.5° |
| H18 | C20 | H19 | 109.5° | 109.5° |
| H20 | C21 | H21 | 109.5° | 109.5° |
| H22 | C22 | H23 | 109.5° | 109.5° |
| H24 | C23 | H25 | 109.5° | 109.5° |
| H26 | C24 | H27 | 109.5° | 109.5° |
| H35 | C5 | H36 | 109.5° | 109.7° |
| H37 | C6 | H38 | 109.5° | 109.7° |
| H39 | C8 | H40 | 109.5° | 110.4° |
| H41 | C9 | H42 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F2 | C18 | F1 | C23 | 117.3° | 120.0° |
| F2 | C18 | F1 | C24 | 121.4° | 120.0° |
| F2 | C18 | C23 | C24 | 122.4° | 120.0° |
| F2 | C18 | C23 | C21 | 176.5° | 180.0° |
| F2 | C18 | C24 | C22 | 176.2° | 180.0° |
| F2 | C18 | C23 | H24 | 56.5° | 60.0° |
| F2 | C18 | C23 | H25 | 63.4° | 60.0° |
| F2 | C18 | C24 | H26 | 55.9° | 60.0° |
| F2 | C18 | C24 | H27 | 63.6° | 59.9° |
| F1 | C18 | C23 | C24 | 121.3° | 120.0° |
| F1 | C18 | C23 | C21 | 60.2° | 60.0° |
| F1 | C18 | C24 | C22 | 65.3° | 60.0° |
| F1 | C18 | C23 | H24 | 59.9° | 60.0° |
| F1 | C18 | C23 | H25 | 179.8° | 180.0° |
| F1 | C18 | C24 | H26 | 174.5° | 180.0° |
| F1 | C18 | C24 | H27 | 55.0° | 60.0° |
| C18 | C23 | C21 | H24 | 120.0° | 120.0° |
| C18 | C23 | C21 | H25 | 120.1° | 120.0° |
| C18 | C23 | C21 | C17 | 62.1° | 60.0° |
| C23 | C18 | C24 | C22 | 55.7° | 60.0° |
| C18 | C23 | C21 | H20 | 57.9° | 180.0° |
| C18 | C23 | C21 | H21 | 178.0° | 60.0° |
| C18 | C23 | H24 | H25 | 119.8° | 120.0° |
| C23 | C18 | C24 | H26 | 64.5° | 60.0° |
| C23 | C18 | C24 | H27 | 176.0° | 179.9° |
| C24 | C18 | C23 | C21 | 61.1° | 60.0° |
| C18 | C24 | C22 | H26 | 120.3° | 119.9° |
| C18 | C24 | C22 | H27 | 120.2° | 120.0° |
| C18 | C24 | C22 | C17 | 51.3° | 60.0° |
| C18 | C24 | C22 | H22 | 171.5° | 60.1° |
| C18 | C24 | C22 | H23 | 68.9° | 180.0° |
| C24 | C18 | C23 | H24 | 178.8° | 180.0° |
| C24 | C18 | C23 | H25 | 58.9° | 60.0° |
| C18 | C24 | H26 | H27 | 119.2° | 120.0° |
| C23 | C21 | C17 | H20 | 120.0° | 120.0° |
| C23 | C21 | C17 | H21 | 120.0° | 120.0° |
| C23 | C21 | C17 | C22 | 58.3° | 60.0° |
| C23 | C21 | C17 | C16 | 179.7° | 180.0° |
| C23 | C21 | C17 | H11 | 61.8° | 60.0° |
| C23 | C21 | H20 | H21 | 120.1° | 120.0° |
| C21 | C23 | H24 | H25 | 119.8° | 120.0° |
| C21 | C17 | C22 | C24 | 53.2° | 60.0° |
| C21 | C17 | C22 | C16 | 119.8° | 119.9° |
| C21 | C17 | C22 | H11 | 120.3° | 120.0° |
| C21 | C17 | C16 | H11 | 117.7° | 120.0° |
| C21 | C17 | C16 | O1 | 63.8° | 0.0° |
| C21 | C17 | C16 | N5 | 111.3° | 180.0° |
| C17 | C21 | H20 | H21 | 120.1° | 120.0° |
| C21 | C17 | C22 | H22 | 173.5° | 60.0° |
| C21 | C17 | C22 | H23 | 67.0° | 180.0° |
| C17 | C21 | C23 | H24 | 177.9° | 180.0° |
| C17 | C21 | C23 | H25 | 58.0° | 60.0° |
| C24 | C22 | C17 | H22 | 120.2° | 120.0° |
| C24 | C22 | C17 | H23 | 120.2° | 120.0° |
| C24 | C22 | C17 | C16 | 173.0° | 179.9° |
| C24 | C22 | C17 | H11 | 67.1° | 60.0° |
| C24 | C22 | H22 | H23 | 119.4° | 119.9° |
| C22 | C24 | H26 | H27 | 119.2° | 120.1° |
| C14 | C7 | N4 | N1 | 178.9° | 179.8° |
| C14 | C7 | N4 | N3 | 178.4° | 179.9° |
| C14 | C7 | N1 | C1 | 1.3° | 0.2° |
| C14 | C7 | N1 | C4 | 176.8° | 179.8° |
| C7 | C14 | H8 | H9 | 120.0° | 120.0° |
| C7 | C14 | H8 | H10 | 120.0° | 120.0° |
| C7 | C14 | H9 | H10 | 120.0° | 120.0° |
| C22 | C17 | C16 | H11 | 119.6° | 120.1° |
| C22 | C17 | C16 | O1 | 58.8° | 120.0° |
| C22 | C17 | C16 | N5 | 126.1° | 60.0° |
| C22 | C17 | C21 | H20 | 61.7° | 180.0° |
| C22 | C17 | C21 | H21 | 178.3° | 60.0° |
| C17 | C22 | H22 | H23 | 119.3° | 120.0° |
| C17 | C22 | C24 | H26 | 69.0° | 60.0° |
| C17 | C22 | C24 | H27 | 171.5° | 180.0° |
| C17 | C16 | O1 | N5 | 174.5° | 180.0° |
| C17 | C16 | N5 | C13 | 176.0° | 180.0° |
| C16 | C17 | C21 | H20 | 60.3° | 60.0° |
| C16 | C17 | C21 | H21 | 59.7° | 60.0° |
| C16 | C17 | C22 | H22 | 66.8° | 59.9° |
| C16 | C17 | C22 | H23 | 52.8° | 60.1° |
| C17 | C16 | N5 | H34 | 4.0° | 0.0° |
| C2 | C8 | C9 | H39 | 119.3° | 118.8° |
| C2 | C8 | C9 | H40 | 119.3° | 118.9° |
| C8 | C2 | C5 | N2 | 114.6° | 111.8° |
| C8 | C2 | C5 | H16 | 123.3° | 124.3° |
| C8 | C2 | C5 | C1 | 53.9° | 47.6° |
| C8 | C2 | N2 | H16 | 118.1° | 121.7° |
| C2 | C8 | C9 | C3 | 2.3° | 0.0° |
| C8 | C2 | N2 | C10 | 76.1° | 77.5° |
| C8 | C2 | N2 | C3 | 44.2° | 41.6° |
| C8 | C2 | C5 | H35 | 66.1° | 167.5° |
| C8 | C2 | C5 | H36 | 174.0° | 72.2° |
| C2 | C8 | H39 | H40 | 122.1° | 122.4° |
| C2 | C8 | C9 | H41 | 116.8° | 118.8° |
| C2 | C8 | C9 | H42 | 121.4° | 118.9° |
| C9 | C8 | C2 | C5 | 92.3° | 88.6° |
| C9 | C8 | C2 | N2 | 25.6° | 25.2° |
| C8 | C9 | C3 | H41 | 119.1° | 118.8° |
| C8 | C9 | C3 | H42 | 119.1° | 118.9° |
| C8 | C9 | C3 | N2 | 29.2° | 25.2° |
| C8 | C9 | C3 | C6 | 88.7° | 88.5° |
| C9 | C8 | C2 | H16 | 144.3° | 146.8° |
| C8 | C9 | C3 | H33 | 148.8° | 147.2° |
| C9 | C8 | H39 | H40 | 122.2° | 122.2° |
| C8 | C9 | H41 | H42 | 122.6° | 122.3° |
| O1 | C16 | N5 | C13 | 1.1° | 0.0° |
| O1 | C16 | C17 | H11 | 178.4° | 120.0° |
| O1 | C16 | N5 | H34 | 178.8° | 180.0° |
| N4 | C7 | N1 | C1 | 177.6° | 180.0° |
| N4 | C7 | N1 | C4 | 2.1° | 0.3° |
| C7 | N4 | N3 | C4 | 1.4° | 0.0° |
| N4 | C7 | C14 | H8 | 0.0° | 95.3° |
| N4 | C7 | C14 | H9 | 120.0° | 144.7° |
| N4 | C7 | C14 | H10 | 120.0° | 24.7° |
| C7 | N1 | C1 | C5 | 97.4° | 120.2° |
| N1 | C7 | N4 | N3 | 0.5° | 0.2° |
| C7 | N1 | C1 | C4 | 174.1° | 179.6° |
| C7 | N1 | C1 | C6 | 123.3° | 119.5° |
| C7 | N1 | C4 | N3 | 2.9° | 0.3° |
| C7 | N1 | C4 | C11 | 176.3° | 179.7° |
| C7 | N1 | C1 | H1 | 12.2° | 0.4° |
| N1 | C7 | C14 | H8 | 178.8° | 84.9° |
| N1 | C7 | C14 | H9 | 61.2° | 35.1° |
| N1 | C7 | C14 | H10 | 58.8° | 155.1° |
| C2 | C5 | C1 | H35 | 120.0° | 119.9° |
| C2 | C5 | C1 | H36 | 120.1° | 119.8° |
| C5 | C2 | N2 | H16 | 121.6° | 124.1° |
| C2 | C5 | C1 | N1 | 179.6° | 174.1° |
| C2 | C5 | C1 | C6 | 39.2° | 54.0° |
| C5 | C2 | N2 | C10 | 163.6° | 168.3° |
| C5 | C2 | N2 | C3 | 76.1° | 72.6° |
| C2 | C5 | C1 | H1 | 70.7° | 66.1° |
| C2 | C5 | H35 | H36 | 119.9° | 120.3° |
| C5 | C2 | C8 | H39 | 148.4° | 152.6° |
| C5 | C2 | C8 | H40 | 27.0° | 30.2° |
| C1 | C5 | C2 | N2 | 60.6° | 64.1° |
| C5 | C1 | N1 | C6 | 139.3° | 120.2° |
| C5 | C1 | N1 | H1 | 109.6° | 119.8° |
| C5 | C1 | N1 | C4 | 76.8° | 60.2° |
| C5 | C1 | C6 | H1 | 110.1° | 120.1° |
| C5 | C1 | C6 | C3 | 35.6° | 54.0° |
| C1 | C5 | C2 | H16 | 177.3° | 172.0° |
| C1 | C5 | H35 | H36 | 119.8° | 120.3° |
| C5 | C1 | C6 | H37 | 155.9° | 173.9° |
| C5 | C1 | C6 | H38 | 84.6° | 65.8° |
| C16 | N5 | C13 | H34 | 180.0° | 180.0° |
| C16 | N5 | C13 | C12 | 91.0° | 155.0° |
| C16 | N5 | C13 | C15 | 144.1° | 85.0° |
| C16 | N5 | C13 | H7 | 23.9° | 35.0° |
| N5 | C16 | C17 | H11 | 6.5° | 60.0° |
| C2 | N2 | C3 | C9 | 45.9° | 41.6° |
| C2 | N2 | C10 | C12 | 75.3° | 75.6° |
| C2 | N2 | C10 | C3 | 113.9° | 114.4° |
| C2 | N2 | C3 | C6 | 71.5° | 72.6° |
| C2 | N2 | C10 | H2 | 164.3° | 164.4° |
| C2 | N2 | C10 | H3 | 45.0° | 44.4° |
| C2 | N2 | C3 | H33 | 165.2° | 163.9° |
| N2 | C2 | C5 | H35 | 179.3° | 55.7° |
| N2 | C2 | C5 | H36 | 59.4° | 176.1° |
| N2 | C2 | C8 | H39 | 93.7° | 93.6° |
| N2 | C2 | C8 | H40 | 144.9° | 144.0° |
| N4 | N3 | C4 | N1 | 2.8° | 0.2° |
| N4 | N3 | C4 | C11 | 176.2° | 179.8° |
| N1 | C1 | C6 | H1 | 111.3° | 119.9° |
| C1 | N1 | C4 | N3 | 178.0° | 180.0° |
| C1 | N1 | C4 | C11 | 8.6° | 0.0° |
| N1 | C1 | C6 | C3 | 174.3° | 174.1° |
| N1 | C1 | C5 | H35 | 60.4° | 54.3° |
| N1 | C1 | C5 | H36 | 59.5° | 66.1° |
| N1 | C1 | C6 | H37 | 65.5° | 66.1° |
| N1 | C1 | C6 | H38 | 54.0° | 54.2° |
| C4 | N1 | C1 | C6 | 62.6° | 60.1° |
| N1 | C4 | N3 | C11 | 173.4° | 180.0° |
| N1 | C4 | C11 | C19 | 134.5° | 120.0° |
| N1 | C4 | C11 | C20 | 99.1° | 120.0° |
| C4 | N1 | C1 | H1 | 173.7° | 180.0° |
| N1 | C4 | C11 | H4 | 16.7° | 0.0° |
| C1 | C6 | C3 | C9 | 61.3° | 47.6° |
| C1 | C6 | C3 | N2 | 52.3° | 64.2° |
| C1 | C6 | C3 | H37 | 120.3° | 119.8° |
| C1 | C6 | C3 | H38 | 120.3° | 119.8° |
| C1 | C6 | C3 | H33 | 176.1° | 172.3° |
| C6 | C1 | C5 | H35 | 159.2° | 65.8° |
| C6 | C1 | C5 | H36 | 80.9° | 173.8° |
| C1 | C6 | H37 | H38 | 119.1° | 120.2° |
| C9 | C3 | N2 | C10 | 73.8° | 77.5° |
| C9 | C3 | N2 | C6 | 117.4° | 114.2° |
| C9 | C3 | N2 | H33 | 119.2° | 122.3° |
| C9 | C3 | C6 | H33 | 122.6° | 124.7° |
| C9 | C3 | C6 | H37 | 59.0° | 72.2° |
| C9 | C3 | C6 | H38 | 178.5° | 167.4° |
| C3 | C9 | C8 | H39 | 121.5° | 118.9° |
| C3 | C9 | C8 | H40 | 117.0° | 118.8° |
| C3 | C9 | H41 | H42 | 122.5° | 122.3° |
| N3 | C4 | C11 | C19 | 53.1° | 60.0° |
| N3 | C4 | C11 | C20 | 73.3° | 60.0° |
| N3 | C4 | C11 | H4 | 170.9° | 179.9° |
| N5 | C13 | C12 | C10 | 149.4° | 65.0° |
| N5 | C13 | C12 | C15 | 126.5° | 120.0° |
| N5 | C13 | C12 | H7 | 115.3° | 120.0° |
| N5 | C13 | C15 | H7 | 119.7° | 120.0° |
| N5 | C13 | C15 | C26 | 66.0° | 139.9° |
| N5 | C13 | C15 | C25 | 118.7° | 39.7° |
| N5 | C13 | C12 | H5 | 90.6° | 175.0° |
| N5 | C13 | C12 | H6 | 29.4° | 54.9° |
| C10 | C12 | C13 | H5 | 120.0° | 120.0° |
| C10 | C12 | C13 | H6 | 120.0° | 119.9° |
| C12 | C10 | N2 | H2 | 120.4° | 120.0° |
| C12 | C10 | N2 | H3 | 120.4° | 120.0° |
| C12 | C10 | N2 | C3 | 170.7° | 170.0° |
| C10 | C12 | C13 | C15 | 84.2° | 175.0° |
| C12 | C10 | H2 | H3 | 118.8° | 120.1° |
| C10 | C12 | H5 | H6 | 120.1° | 120.0° |
| C10 | C12 | C13 | H7 | 34.1° | 55.0° |
| C13 | C12 | C10 | N2 | 158.7° | 180.0° |
| C12 | C13 | C15 | H7 | 117.3° | 120.0° |
| C12 | C13 | C15 | C26 | 57.0° | 100.0° |
| C12 | C13 | C15 | C25 | 118.3° | 80.3° |
| C13 | C12 | C10 | H2 | 38.4° | 60.1° |
| C13 | C12 | C10 | H3 | 80.9° | 60.0° |
| C13 | C12 | H5 | H6 | 120.0° | 120.0° |
| C12 | C13 | N5 | H34 | 88.9° | 25.0° |
| C4 | C11 | C19 | C20 | 123.9° | 120.0° |
| C4 | C11 | C19 | H4 | 117.7° | 120.0° |
| C4 | C11 | C20 | H4 | 115.7° | 120.0° |
| C4 | C11 | C19 | H12 | 180.0° | 180.0° |
| C4 | C11 | C19 | H13 | 60.0° | 60.0° |
| C4 | C11 | C19 | H14 | 60.0° | 60.0° |
| C4 | C11 | C20 | H17 | 180.0° | 60.0° |
| C4 | C11 | C20 | H18 | 60.0° | 60.0° |
| C4 | C11 | C20 | H19 | 60.0° | 180.0° |
| C10 | N2 | C3 | C6 | 168.8° | 168.3° |
| N2 | C10 | H2 | H3 | 118.8° | 120.0° |
| N2 | C10 | C12 | H5 | 38.7° | 60.0° |
| N2 | C10 | C12 | H6 | 81.3° | 60.1° |
| C10 | N2 | C2 | H16 | 42.1° | 44.2° |
| C10 | N2 | C3 | H33 | 45.4° | 44.8° |
| N2 | C3 | C6 | H33 | 123.9° | 123.6° |
| C3 | N2 | C10 | H2 | 50.4° | 50.0° |
| C3 | N2 | C10 | H3 | 68.9° | 70.0° |
| C3 | N2 | C2 | H16 | 162.3° | 163.3° |
| N2 | C3 | C6 | H37 | 172.6° | 176.0° |
| N2 | C3 | C6 | H38 | 68.0° | 55.6° |
| N2 | C3 | C9 | H41 | 90.0° | 144.0° |
| N2 | C3 | C9 | H42 | 148.3° | 93.7° |
| C13 | C15 | C26 | C25 | 175.2° | 179.6° |
| C13 | C15 | C26 | C28 | 176.9° | 180.0° |
| C13 | C15 | C25 | C27 | 178.0° | 180.0° |
| C15 | C13 | C12 | H5 | 35.8° | 54.9° |
| C15 | C13 | C12 | H6 | 155.9° | 65.1° |
| C13 | C15 | C25 | H28 | 2.0° | 0.1° |
| C13 | C15 | C26 | H29 | 3.1° | 0.1° |
| C15 | C13 | N5 | H34 | 35.9° | 95.0° |
| C3 | C6 | C1 | H1 | 74.4° | 66.1° |
| C3 | C6 | H37 | H38 | 119.1° | 120.4° |
| C6 | C3 | C9 | H41 | 152.1° | 30.3° |
| C6 | C3 | C9 | H42 | 30.4° | 152.5° |
| C19 | C11 | C20 | H4 | 118.4° | 120.0° |
| C11 | C19 | H12 | H13 | 120.0° | 120.0° |
| C11 | C19 | H12 | H14 | 120.0° | 120.0° |
| C11 | C19 | H13 | H14 | 120.0° | 120.0° |
| C19 | C11 | C20 | H17 | 54.1° | 60.0° |
| C19 | C11 | C20 | H18 | 174.1° | 180.0° |
| C19 | C11 | C20 | H19 | 65.9° | 60.0° |
| C20 | C11 | C19 | H12 | 56.1° | 60.0° |
| C20 | C11 | C19 | H13 | 63.9° | 180.0° |
| C20 | C11 | C19 | H14 | 176.1° | 60.0° |
| C11 | C20 | H17 | H18 | 120.0° | 120.0° |
| C11 | C20 | H17 | H19 | 120.0° | 120.0° |
| C11 | C20 | H18 | H19 | 120.0° | 120.0° |
| C15 | C26 | C28 | H29 | 180.0° | 179.9° |
| C26 | C15 | C25 | C27 | 2.6° | 0.4° |
| C15 | C26 | C28 | C29 | 0.2° | 0.1° |
| C26 | C15 | C13 | H7 | 174.3° | 20.0° |
| C26 | C15 | C25 | H28 | 177.3° | 179.7° |
| C15 | C26 | C28 | H31 | 179.8° | 180.0° |
| C25 | C15 | C26 | C28 | 1.7° | 0.4° |
| C15 | C25 | C27 | H28 | 180.0° | 179.9° |
| C15 | C25 | C27 | C29 | 2.1° | 0.1° |
| C25 | C15 | C13 | H7 | 1.0° | 159.7° |
| C25 | C15 | C26 | H29 | 178.3° | 179.7° |
| C15 | C25 | C27 | H30 | 177.9° | 179.9° |
| C26 | C28 | C29 | H31 | 180.0° | 179.9° |
| C26 | C28 | C29 | C27 | 0.3° | 0.2° |
| C26 | C28 | C29 | H32 | 179.7° | 180.0° |
| C25 | C27 | C29 | C28 | 0.6° | 0.2° |
| C25 | C27 | C29 | H30 | 180.0° | 180.0° |
| C25 | C27 | C29 | H32 | 179.4° | 180.0° |
| C28 | C29 | C27 | H32 | 180.0° | 179.9° |
| C29 | C28 | C26 | H29 | 179.8° | 180.0° |
| C28 | C29 | C27 | H30 | 179.4° | 179.8° |
| C29 | C27 | C25 | H28 | 177.9° | 180.0° |
| C27 | C29 | C28 | H31 | 179.7° | 179.7° |
| H1 | C1 | C5 | H35 | 49.3° | 174.1° |
| H1 | C1 | C5 | H36 | 169.2° | 53.7° |
| H1 | C1 | C6 | H37 | 45.8° | 53.8° |
| H1 | C1 | C6 | H38 | 165.3° | 174.1° |
| H2 | C10 | C12 | H5 | 81.6° | 60.0° |
| H2 | C10 | C12 | H6 | 158.3° | 180.0° |
| H3 | C10 | C12 | H5 | 159.1° | 179.9° |
| H3 | C10 | C12 | H6 | 39.1° | 59.9° |
| H4 | C11 | C19 | H12 | 62.3° | 60.0° |
| H4 | C11 | C19 | H13 | 177.7° | 60.0° |
| H4 | C11 | C19 | H14 | 57.7° | 180.0° |
| H4 | C11 | C20 | H17 | 64.3° | 180.0° |
| H4 | C11 | C20 | H18 | 55.7° | 60.1° |
| H4 | C11 | C20 | H19 | 175.7° | 60.0° |
| H5 | C12 | C13 | H7 | 154.1° | 65.0° |
| H6 | C12 | C13 | H7 | 85.9° | 175.0° |
| H7 | C13 | N5 | H34 | 156.1° | 145.0° |
| H8 | C14 | H9 | H10 | 120.0° | 120.0° |
| H11 | C17 | C21 | H20 | 178.2° | 60.0° |
| H11 | C17 | C21 | H21 | 58.2° | 180.0° |
| H11 | C17 | C22 | H22 | 53.2° | 180.0° |
| H11 | C17 | C22 | H23 | 172.7° | 60.0° |
| H12 | C19 | H13 | H14 | 120.0° | 120.0° |
| H16 | C2 | C5 | H35 | 57.3° | 68.2° |
| H16 | C2 | C5 | H36 | 62.6° | 52.2° |
| H16 | C2 | C8 | H39 | 25.1° | 28.1° |
| H16 | C2 | C8 | H40 | 96.4° | 94.3° |
| H17 | C20 | H18 | H19 | 120.0° | 120.0° |
| H20 | C21 | C23 | H24 | 62.1° | 60.0° |
| H20 | C21 | C23 | H25 | 178.0° | 60.0° |
| H21 | C21 | C23 | H24 | 57.9° | 60.0° |
| H21 | C21 | C23 | H25 | 62.0° | 180.0° |
| H22 | C22 | C24 | H26 | 51.3° | 180.0° |
| H22 | C22 | C24 | H27 | 68.2° | 60.0° |
| H23 | C22 | C24 | H26 | 170.8° | 60.1° |
| H23 | C22 | C24 | H27 | 51.3° | 60.0° |
| H28 | C25 | C27 | H30 | 2.1° | 0.0° |
| H29 | C26 | C28 | H31 | 0.2° | 0.1° |
| H30 | C27 | C29 | H32 | 0.6° | 0.1° |
| H31 | C28 | C29 | H32 | 0.3° | 0.1° |
| H33 | C3 | C6 | H37 | 63.5° | 52.5° |
| H33 | C3 | C6 | H38 | 55.9° | 67.9° |
| H33 | C3 | C9 | H41 | 29.7° | 94.0° |
| H33 | C3 | C9 | H42 | 92.0° | 28.3° |
| H39 | C8 | C9 | H41 | 2.4° | 122.3° |
| H39 | C8 | C9 | H42 | 119.4° | 0.0° |
| H40 | C8 | C9 | H41 | 123.9° | 0.1° |
| H40 | C8 | C9 | H42 | 2.1° | 122.3° |
