S43
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C16 | sing | 1.53Å | 1.55Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C18 | O1 | sing | 1.45Å | 1.45Å | |
| O1 | C20 | sing | 1.35Å | 1.34Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C20 | O4 | doub | 1.21Å | 1.23Å | |
| C20 | N2 | sing | 1.36Å | 1.50Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| N2 | C19 | sing | 1.48Å | 1.45Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| O | C | sing | 1.43Å | 1.43Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.51Å | 1.54Å | |
| C19 | C | sing | 1.53Å | 1.55Å | |
| C19 | C21 | sing | 1.53Å | 1.55Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| O3 | C2 | doub | 1.21Å | 1.22Å | |
| C27 | C26 | doub | 1.38Å | 1.36Å | Aromatic |
| C27 | C22 | sing | 1.38Å | 1.35Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.35Å | Aromatic |
| C2 | N | sing | 1.35Å | 1.34Å | |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| C22 | C23 | doub | 1.38Å | 1.33Å | Aromatic |
| O2 | C7 | doub | 1.21Å | 1.22Å | |
| C25 | C24 | doub | 1.38Å | 1.33Å | Aromatic |
| C8 | N1 | sing | 1.48Å | 1.46Å | |
| C23 | C24 | sing | 1.38Å | 1.35Å | Aromatic |
| N | C3 | sing | 1.47Å | 1.52Å | |
| C7 | N1 | sing | 1.36Å | 1.34Å | |
| C7 | C3 | sing | 1.51Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C6 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| N | H9 | sing | 0.98Å | 1.00Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.10Å | 1.10Å | |
| O | H13 | sing | 0.97Å | 0.95Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| N2 | H22 | sing | 0.97Å | 1.00Å | |
| N1 | H23 | sing | 0.97Å | 1.00Å | |
| C8 | H24 | sing | 1.09Å | 1.10Å | |
| C8 | H25 | sing | 1.09Å | 1.10Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| C10 | H28 | sing | 1.09Å | 1.10Å | |
| C10 | H29 | sing | 1.09Å | 1.10Å | |
| C11 | H30 | sing | 1.09Å | 1.10Å | |
| C11 | H31 | sing | 1.09Å | 1.10Å | |
| C12 | H32 | sing | 1.09Å | 1.10Å | |
| C12 | H33 | sing | 1.09Å | 1.10Å | |
| C13 | H34 | sing | 1.09Å | 1.10Å | |
| C13 | H35 | sing | 1.09Å | 1.10Å | |
| C14 | H36 | sing | 1.09Å | 1.10Å | |
| C14 | H37 | sing | 1.09Å | 1.10Å | |
| C15 | H38 | sing | 1.09Å | 1.10Å | |
| C15 | H39 | sing | 1.09Å | 1.10Å | |
| C16 | H40 | sing | 1.09Å | 1.10Å | |
| C16 | H41 | sing | 1.09Å | 1.10Å | |
| C17 | H42 | sing | 1.09Å | 1.10Å | |
| C17 | H43 | sing | 1.09Å | 1.10Å | |
| C18 | H44 | sing | 1.09Å | 1.10Å | |
| C18 | H45 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C17 | C18 | 115.9° | 109.4° |
| C17 | C16 | C15 | 115.6° | 109.5° |
| C17 | C16 | H40 | 107.9° | 109.3° |
| C17 | C16 | H41 | 107.9° | 109.3° |
| C16 | C17 | H42 | 107.8° | 109.8° |
| C16 | C17 | H43 | 107.8° | 109.6° |
| C17 | C18 | O1 | 113.4° | 109.7° |
| C18 | C17 | H42 | 107.8° | 109.3° |
| C18 | C17 | H43 | 107.8° | 109.4° |
| C17 | C18 | H44 | 108.5° | 109.3° |
| C17 | C18 | H45 | 108.5° | 109.0° |
| C16 | C15 | C14 | 114.8° | 109.6° |
| C16 | C15 | H38 | 108.1° | 109.4° |
| C16 | C15 | H39 | 108.1° | 109.6° |
| C15 | C16 | H40 | 107.9° | 109.7° |
| C15 | C16 | H41 | 107.9° | 109.5° |
| C15 | C14 | C13 | 117.4° | 109.5° |
| C15 | C14 | H36 | 107.4° | 109.6° |
| C15 | C14 | H37 | 107.5° | 109.5° |
| C14 | C15 | H38 | 108.2° | 109.2° |
| C14 | C15 | H39 | 108.2° | 109.5° |
| C18 | O1 | C20 | 118.2° | 117.7° |
| O1 | C18 | H44 | 108.5° | 110.0° |
| O1 | C18 | H45 | 108.5° | 109.4° |
| O1 | C20 | O4 | 128.6° | 120.6° |
| O1 | C20 | N2 | 107.1° | 118.4° |
| C13 | C12 | C11 | 109.3° | 109.4° |
| C12 | C13 | C14 | 112.8° | 109.6° |
| C13 | C12 | H32 | 109.5° | 109.5° |
| C13 | C12 | H33 | 109.6° | 109.3° |
| C12 | C13 | H34 | 108.6° | 109.5° |
| C12 | C13 | H35 | 108.6° | 109.3° |
| C12 | C11 | C10 | 114.3° | 109.7° |
| C12 | C11 | H30 | 108.2° | 109.6° |
| C12 | C11 | H31 | 108.2° | 109.5° |
| C11 | C12 | H32 | 109.5° | 109.6° |
| C11 | C12 | H33 | 109.5° | 109.4° |
| C14 | C13 | H34 | 108.6° | 109.4° |
| C14 | C13 | H35 | 108.6° | 109.6° |
| C13 | C14 | H36 | 107.4° | 109.4° |
| C13 | C14 | H37 | 107.4° | 109.5° |
| O4 | C20 | N2 | 124.3° | 120.9° |
| C20 | N2 | C19 | 123.9° | 117.5° |
| C20 | N2 | H22 | 118.1° | 121.3° |
| C11 | C10 | C9 | 111.3° | 109.7° |
| C11 | C10 | H28 | 109.0° | 109.6° |
| C11 | C10 | H29 | 109.0° | 109.4° |
| C10 | C11 | H30 | 108.3° | 109.4° |
| C10 | C11 | H31 | 108.2° | 109.4° |
| N2 | C19 | C | 110.3° | 108.4° |
| N2 | C19 | C21 | 109.0° | 108.8° |
| N2 | C19 | H14 | 108.5° | 109.8° |
| C19 | N2 | H22 | 118.0° | 121.2° |
| C10 | C9 | C8 | 111.6° | 109.4° |
| C10 | C9 | H26 | 108.9° | 109.4° |
| C10 | C9 | H27 | 108.9° | 109.5° |
| C9 | C10 | H28 | 109.0° | 109.4° |
| C9 | C10 | H29 | 109.0° | 109.4° |
| O | C | C1 | 107.9° | 109.8° |
| O | C | C19 | 106.7° | 109.1° |
| O | C | H12 | 109.9° | 108.8° |
| C | O | H13 | 109.5° | 114.0° |
| C | C1 | C2 | 109.7° | 109.7° |
| C1 | C | C19 | 115.4° | 110.7° |
| C | C1 | H10 | 109.4° | 109.8° |
| C | C1 | H11 | 109.4° | 109.9° |
| C1 | C | H12 | 108.5° | 109.4° |
| C1 | C2 | O3 | 119.8° | 118.5° |
| C1 | C2 | N | 117.2° | 119.9° |
| C2 | C1 | H10 | 109.4° | 109.9° |
| C2 | C1 | H11 | 109.4° | 108.9° |
| C | C19 | C21 | 114.6° | 109.9° |
| C19 | C | H12 | 108.3° | 109.0° |
| C | C19 | H14 | 107.1° | 110.1° |
| C19 | C21 | C22 | 117.1° | 109.5° |
| C21 | C19 | H14 | 107.1° | 109.7° |
| C19 | C21 | H15 | 107.5° | 109.5° |
| C19 | C21 | H16 | 107.5° | 109.5° |
| C9 | C8 | N1 | 107.8° | 108.8° |
| C9 | C8 | H24 | 109.9° | 109.7° |
| C9 | C8 | H25 | 109.9° | 109.7° |
| C8 | C9 | H26 | 108.9° | 109.4° |
| C8 | C9 | H27 | 108.9° | 109.6° |
| O3 | C2 | N | 123.0° | 121.5° |
| C26 | C27 | C22 | 121.1° | 120.0° |
| C27 | C26 | C25 | 120.7° | 120.0° |
| C27 | C26 | H20 | 119.6° | 120.0° |
| C26 | C27 | H21 | 119.4° | 120.0° |
| C27 | C22 | C21 | 120.5° | 120.0° |
| C27 | C22 | C23 | 116.8° | 120.0° |
| C22 | C27 | H21 | 119.5° | 120.0° |
| C26 | C25 | C24 | 118.0° | 120.0° |
| C26 | C25 | H19 | 121.0° | 120.0° |
| C25 | C26 | H20 | 119.7° | 120.0° |
| C2 | N | C3 | 117.1° | 119.9° |
| C2 | N | H9 | 121.5° | 120.1° |
| C21 | C22 | C23 | 122.4° | 120.0° |
| C22 | C21 | H15 | 107.5° | 109.4° |
| C22 | C21 | H16 | 107.5° | 109.4° |
| C22 | C23 | C24 | 122.3° | 120.0° |
| C22 | C23 | H17 | 118.8° | 120.0° |
| O2 | C7 | N1 | 123.2° | 120.5° |
| O2 | C7 | C3 | 120.2° | 119.7° |
| C25 | C24 | C23 | 120.9° | 120.0° |
| C25 | C24 | H18 | 119.5° | 120.0° |
| C24 | C25 | H19 | 121.0° | 120.0° |
| C8 | N1 | C7 | 124.1° | 116.1° |
| C8 | N1 | H23 | 118.0° | 120.8° |
| N1 | C8 | H24 | 109.9° | 109.5° |
| N1 | C8 | H25 | 109.9° | 109.4° |
| C24 | C23 | H17 | 118.8° | 120.0° |
| C23 | C24 | H18 | 119.6° | 120.0° |
| N | C3 | C7 | 108.4° | 107.5° |
| N | C3 | C4 | 110.2° | 111.0° |
| N | C3 | H1 | 108.4° | 110.5° |
| C3 | N | H9 | 121.5° | 120.0° |
| N1 | C7 | C3 | 116.6° | 119.7° |
| C7 | N1 | H23 | 117.9° | 123.0° |
| C7 | C3 | C4 | 113.4° | 108.8° |
| C7 | C3 | H1 | 108.1° | 109.3° |
| C3 | C4 | C6 | 112.8° | 109.5° |
| C3 | C4 | C5 | 110.9° | 109.4° |
| C4 | C3 | H1 | 108.1° | 109.7° |
| C3 | C4 | H2 | 107.8° | 109.5° |
| C6 | C4 | C5 | 109.5° | 109.5° |
| C6 | C4 | H2 | 107.9° | 109.5° |
| C4 | C6 | H6 | 109.5° | 109.5° |
| C4 | C6 | H7 | 109.5° | 109.4° |
| C4 | C6 | H8 | 109.5° | 109.5° |
| C5 | C4 | H2 | 107.7° | 109.5° |
| C4 | C5 | H3 | 109.5° | 109.4° |
| C4 | C5 | H4 | 109.5° | 109.5° |
| C4 | C5 | H5 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H3 | C5 | H5 | 109.4° | 109.5° |
| H4 | C5 | H5 | 109.4° | 109.4° |
| H6 | C6 | H7 | 109.4° | 109.5° |
| H6 | C6 | H8 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H10 | C1 | H11 | 109.5° | 108.6° |
| H15 | C21 | H16 | 109.5° | 109.5° |
| H24 | C8 | H25 | 109.5° | 109.7° |
| H26 | C9 | H27 | 109.5° | 109.5° |
| H28 | C10 | H29 | 109.5° | 109.4° |
| H30 | C11 | H31 | 109.5° | 109.2° |
| H32 | C12 | H33 | 109.5° | 109.6° |
| H34 | C13 | H35 | 109.5° | 109.4° |
| H36 | C14 | H37 | 109.5° | 109.3° |
| H38 | C15 | H39 | 109.4° | 109.4° |
| H40 | C16 | H41 | 109.5° | 109.4° |
| H42 | C17 | H43 | 109.5° | 109.4° |
| H44 | C18 | H45 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C17 | C18 | H42 | 121.0° | 120.3° |
| C16 | C17 | C18 | H43 | 120.9° | 120.0° |
| C17 | C16 | C15 | H40 | 120.9° | 120.0° |
| C17 | C16 | C15 | H41 | 120.9° | 119.8° |
| C17 | C16 | C15 | C14 | 132.0° | 122.0° |
| C16 | C17 | C18 | O1 | 33.8° | 179.3° |
| C17 | C16 | C15 | H38 | 107.2° | 118.2° |
| C17 | C16 | C15 | H39 | 11.2° | 1.8° |
| C17 | C16 | H40 | H41 | 117.2° | 119.7° |
| C16 | C17 | H42 | H43 | 117.1° | 120.3° |
| C16 | C17 | C18 | H44 | 86.8° | 60.0° |
| C16 | C17 | C18 | H45 | 154.4° | 59.5° |
| C18 | C17 | C16 | C15 | 100.2° | 165.0° |
| C17 | C18 | O1 | H44 | 120.6° | 120.3° |
| C17 | C18 | O1 | H45 | 120.6° | 119.6° |
| C17 | C18 | O1 | C20 | 111.5° | 84.4° |
| C18 | C17 | C16 | H40 | 20.7° | 74.7° |
| C18 | C17 | C16 | H41 | 138.9° | 45.1° |
| C18 | C17 | H42 | H43 | 117.1° | 119.7° |
| C17 | C18 | H44 | H45 | 118.2° | 119.3° |
| C16 | C15 | C14 | H38 | 120.8° | 119.9° |
| C16 | C15 | C14 | H39 | 120.8° | 120.3° |
| C16 | C15 | C14 | C13 | 157.6° | 126.2° |
| C16 | C15 | C14 | H36 | 81.3° | 6.2° |
| C16 | C15 | C14 | H37 | 36.4° | 113.7° |
| C16 | C15 | H38 | H39 | 117.6° | 120.2° |
| C15 | C16 | H40 | H41 | 117.2° | 120.2° |
| C15 | C16 | C17 | H42 | 20.7° | 45.1° |
| C15 | C16 | C17 | H43 | 138.8° | 75.1° |
| C15 | C14 | C13 | C12 | 56.4° | 149.3° |
| C15 | C14 | C13 | H36 | 121.1° | 120.1° |
| C15 | C14 | C13 | H37 | 121.2° | 120.1° |
| C15 | C14 | C13 | H34 | 64.1° | 90.6° |
| C15 | C14 | C13 | H35 | 176.9° | 29.4° |
| C15 | C14 | H36 | H37 | 116.4° | 120.0° |
| C14 | C15 | H38 | H39 | 117.6° | 119.9° |
| C14 | C15 | C16 | H40 | 11.1° | 2.0° |
| C14 | C15 | C16 | H41 | 107.1° | 118.1° |
| C18 | O1 | C20 | O4 | 9.4° | 3.6° |
| C18 | O1 | C20 | N2 | 168.8° | 176.1° |
| O1 | C18 | C17 | H42 | 154.7° | 59.1° |
| O1 | C18 | C17 | H43 | 87.1° | 60.6° |
| O1 | C18 | H44 | H45 | 118.2° | 120.2° |
| O1 | C20 | O4 | N2 | 177.9° | 179.7° |
| O1 | C20 | N2 | C19 | 179.2° | 177.6° |
| O1 | C20 | N2 | H22 | 0.8° | 2.6° |
| C20 | O1 | C18 | H44 | 9.1° | 35.9° |
| C20 | O1 | C18 | H45 | 127.9° | 156.0° |
| C13 | C12 | C11 | H32 | 120.0° | 120.1° |
| C13 | C12 | C11 | H33 | 120.0° | 119.7° |
| C12 | C13 | C14 | H34 | 120.5° | 120.1° |
| C12 | C13 | C14 | H35 | 120.5° | 120.0° |
| C13 | C12 | C11 | C10 | 97.7° | 145.4° |
| C13 | C12 | C11 | H30 | 23.0° | 94.5° |
| C13 | C12 | C11 | H31 | 141.6° | 25.3° |
| C13 | C12 | H32 | H33 | 120.1° | 119.9° |
| C12 | C13 | H34 | H35 | 118.5° | 119.8° |
| C12 | C13 | C14 | H36 | 64.8° | 29.2° |
| C12 | C13 | C14 | H37 | 177.5° | 90.6° |
| C11 | C12 | C13 | C14 | 126.0° | 168.9° |
| C12 | C11 | C10 | H30 | 120.7° | 120.2° |
| C12 | C11 | C10 | H31 | 120.7° | 120.2° |
| C12 | C11 | C10 | C9 | 173.4° | 118.3° |
| C12 | C11 | C10 | H28 | 53.1° | 1.8° |
| C12 | C11 | C10 | H29 | 66.3° | 121.7° |
| C12 | C11 | H30 | H31 | 117.8° | 120.0° |
| C11 | C12 | H32 | H33 | 120.1° | 120.0° |
| C11 | C12 | C13 | H34 | 113.4° | 71.1° |
| C11 | C12 | C13 | H35 | 5.6° | 48.8° |
| C14 | C13 | C12 | H32 | 114.0° | 48.7° |
| C14 | C13 | C12 | H33 | 6.1° | 71.4° |
| C14 | C13 | H34 | H35 | 118.5° | 120.1° |
| C13 | C14 | H36 | H37 | 116.4° | 119.9° |
| C13 | C14 | C15 | H38 | 36.8° | 113.9° |
| C13 | C14 | C15 | H39 | 81.6° | 5.9° |
| O4 | C20 | N2 | C19 | 0.9° | 2.2° |
| O4 | C20 | N2 | H22 | 179.1° | 177.7° |
| C20 | N2 | C19 | H22 | 180.0° | 179.8° |
| C20 | N2 | C19 | C | 113.1° | 93.8° |
| C20 | N2 | C19 | C21 | 120.3° | 146.7° |
| C20 | N2 | C19 | H14 | 4.0° | 26.6° |
| C11 | C10 | C9 | H28 | 120.3° | 120.2° |
| C11 | C10 | C9 | H29 | 120.2° | 120.0° |
| C11 | C10 | C9 | C8 | 68.0° | 164.3° |
| C11 | C10 | C9 | H26 | 52.4° | 44.4° |
| C11 | C10 | C9 | H27 | 171.7° | 75.6° |
| C11 | C10 | H28 | H29 | 119.2° | 119.9° |
| C10 | C11 | H30 | H31 | 117.8° | 119.7° |
| C10 | C11 | C12 | H32 | 142.3° | 25.3° |
| C10 | C11 | C12 | H33 | 22.3° | 94.9° |
| N2 | C19 | C | O | 55.9° | 48.4° |
| N2 | C19 | C | C1 | 64.0° | 169.4° |
| N2 | C19 | C | C21 | 123.5° | 118.9° |
| N2 | C19 | C | H14 | 117.9° | 120.1° |
| N2 | C19 | C21 | H14 | 117.2° | 120.1° |
| N2 | C19 | C21 | C22 | 60.8° | 66.4° |
| N2 | C19 | C | H12 | 174.1° | 70.2° |
| N2 | C19 | C21 | H15 | 60.3° | 53.6° |
| N2 | C19 | C21 | H16 | 178.1° | 173.6° |
| C10 | C9 | C8 | H26 | 120.3° | 119.9° |
| C10 | C9 | C8 | H27 | 120.3° | 120.1° |
| C10 | C9 | C8 | N1 | 61.9° | 164.4° |
| C10 | C9 | C8 | H24 | 57.8° | 44.6° |
| C10 | C9 | C8 | H25 | 178.3° | 75.9° |
| C10 | C9 | H26 | H27 | 119.0° | 120.0° |
| C9 | C10 | H28 | H29 | 119.2° | 119.8° |
| C9 | C10 | C11 | H30 | 65.9° | 121.5° |
| C9 | C10 | C11 | H31 | 52.7° | 1.9° |
| O | C | C1 | C19 | 119.2° | 120.5° |
| O | C | C1 | H12 | 119.0° | 119.3° |
| O | C | C1 | C2 | 167.2° | 52.6° |
| O | C | C19 | H12 | 118.3° | 118.6° |
| O | C | C19 | C21 | 67.6° | 167.3° |
| O | C | C1 | H10 | 47.2° | 68.3° |
| O | C | C1 | H11 | 72.7° | 172.3° |
| O | C | C19 | H14 | 173.7° | 71.7° |
| C | C1 | C2 | H10 | 120.1° | 120.9° |
| C | C1 | C2 | H11 | 120.1° | 120.3° |
| C1 | C | C19 | H12 | 121.9° | 120.4° |
| C1 | C | C19 | C21 | 172.5° | 71.8° |
| C | C1 | C2 | O3 | 97.6° | 102.1° |
| C | C1 | C2 | N | 84.3° | 74.9° |
| C | C1 | H10 | H11 | 119.9° | 120.1° |
| C1 | C | O | H13 | 180.0° | 67.0° |
| C1 | C | C19 | H14 | 53.9° | 49.3° |
| C2 | C1 | C | C19 | 73.6° | 67.9° |
| C1 | C2 | O3 | N | 178.0° | 177.0° |
| C1 | C2 | N | C3 | 173.0° | 59.8° |
| C1 | C2 | N | H9 | 7.1° | 119.6° |
| C2 | C1 | H10 | H11 | 119.8° | 119.0° |
| C2 | C1 | C | H12 | 48.2° | 172.0° |
| C | C19 | C21 | H14 | 118.7° | 121.3° |
| C | C19 | C21 | C22 | 175.1° | 175.0° |
| C19 | C | C1 | H10 | 166.4° | 171.1° |
| C19 | C | C1 | H11 | 46.4° | 51.8° |
| C19 | C | O | H13 | 55.4° | 171.5° |
| C | C19 | C21 | H15 | 63.8° | 65.0° |
| C | C19 | C21 | H16 | 54.0° | 55.0° |
| C | C19 | N2 | H22 | 66.9° | 86.4° |
| C19 | C21 | C22 | C27 | 130.2° | 90.2° |
| C19 | C21 | C22 | H15 | 121.1° | 120.0° |
| C19 | C21 | C22 | H16 | 121.1° | 120.0° |
| C19 | C21 | C22 | C23 | 56.6° | 90.0° |
| C21 | C19 | C | H12 | 50.6° | 48.6° |
| C19 | C21 | H15 | H16 | 116.5° | 120.0° |
| C21 | C19 | N2 | H22 | 59.7° | 33.2° |
| C9 | C8 | N1 | H24 | 119.8° | 119.9° |
| C9 | C8 | N1 | H25 | 119.7° | 119.9° |
| C9 | C8 | N1 | C7 | 117.2° | 77.4° |
| C9 | C8 | N1 | H23 | 62.8° | 101.5° |
| C9 | C8 | H24 | H25 | 120.8° | 120.6° |
| C8 | C9 | H26 | H27 | 119.0° | 120.1° |
| C8 | C9 | C10 | H28 | 171.8° | 75.5° |
| C8 | C9 | C10 | H29 | 52.3° | 44.3° |
| O3 | C2 | N | C3 | 5.1° | 123.3° |
| O3 | C2 | N | H9 | 174.9° | 57.3° |
| O3 | C2 | C1 | H10 | 142.3° | 137.0° |
| O3 | C2 | C1 | H11 | 22.4° | 18.2° |
| C26 | C27 | C22 | H21 | 180.0° | 179.5° |
| C27 | C26 | C25 | H20 | 180.0° | 179.7° |
| C26 | C27 | C22 | C21 | 176.7° | 179.7° |
| C26 | C27 | C22 | C23 | 3.1° | 0.5° |
| C27 | C26 | C25 | C24 | 1.4° | 0.2° |
| C27 | C26 | C25 | H19 | 178.6° | 179.8° |
| C22 | C27 | C26 | C25 | 0.4° | 0.5° |
| C27 | C22 | C21 | C23 | 173.2° | 179.8° |
| C27 | C22 | C23 | C24 | 4.1° | 0.2° |
| C27 | C22 | C21 | H15 | 9.1° | 149.7° |
| C27 | C22 | C21 | H16 | 108.7° | 29.7° |
| C27 | C22 | C23 | H17 | 175.9° | 179.7° |
| C22 | C27 | C26 | H20 | 179.6° | 179.7° |
| C26 | C25 | C24 | H19 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.4° | 0.0° |
| C26 | C25 | C24 | H18 | 179.6° | 180.0° |
| C25 | C26 | C27 | H21 | 179.6° | 180.0° |
| C2 | N | C3 | H9 | 180.0° | 179.4° |
| C2 | N | C3 | C7 | 73.2° | 150.0° |
| C2 | N | C3 | C4 | 162.1° | 91.1° |
| C2 | N | C3 | H1 | 44.0° | 30.8° |
| N | C2 | C1 | H10 | 35.8° | 46.0° |
| N | C2 | C1 | H11 | 155.7° | 164.8° |
| C21 | C22 | C23 | C24 | 177.6° | 180.0° |
| C22 | C21 | C19 | H14 | 56.4° | 53.7° |
| C22 | C21 | H15 | H16 | 116.5° | 120.0° |
| C21 | C22 | C23 | H17 | 2.4° | 0.0° |
| C21 | C22 | C27 | H21 | 3.3° | 0.2° |
| C22 | C23 | C24 | C25 | 2.5° | 0.0° |
| C22 | C23 | C24 | H17 | 180.0° | 180.0° |
| C23 | C22 | C21 | H15 | 177.7° | 30.0° |
| C23 | C22 | C21 | H16 | 64.5° | 150.0° |
| C22 | C23 | C24 | H18 | 177.5° | 180.0° |
| C23 | C22 | C27 | H21 | 176.9° | 180.0° |
| O2 | C7 | N1 | C8 | 2.9° | 37.9° |
| O2 | C7 | C3 | N | 33.8° | 26.5° |
| O2 | C7 | N1 | C3 | 179.3° | 178.6° |
| O2 | C7 | C3 | C4 | 89.0° | 146.8° |
| O2 | C7 | C3 | H1 | 151.1° | 93.4° |
| O2 | C7 | N1 | H23 | 177.1° | 143.2° |
| C25 | C24 | C23 | H18 | 180.0° | 180.0° |
| C25 | C24 | C23 | H17 | 177.5° | 180.0° |
| C24 | C25 | C26 | H20 | 178.6° | 180.0° |
| C8 | N1 | C7 | H23 | 180.0° | 178.8° |
| C8 | N1 | C7 | C3 | 176.4° | 140.7° |
| N1 | C8 | H24 | H25 | 120.8° | 120.1° |
| N1 | C8 | C9 | H26 | 177.7° | 75.7° |
| N1 | C8 | C9 | H27 | 58.4° | 44.3° |
| C23 | C24 | C25 | H19 | 179.6° | 180.0° |
| N | C3 | C7 | N1 | 146.9° | 152.1° |
| N | C3 | C7 | C4 | 122.8° | 120.3° |
| N | C3 | C7 | H1 | 117.3° | 120.0° |
| N | C3 | C4 | H1 | 118.3° | 122.4° |
| N | C3 | C4 | C6 | 68.1° | 176.5° |
| N | C3 | C4 | C5 | 168.6° | 63.5° |
| N | C3 | C4 | H2 | 50.9° | 56.5° |
| N1 | C7 | C3 | C4 | 90.3° | 31.8° |
| N1 | C7 | C3 | H1 | 29.6° | 88.0° |
| C7 | N1 | C8 | H24 | 2.6° | 42.5° |
| C7 | N1 | C8 | H25 | 123.1° | 162.7° |
| C7 | C3 | C4 | H1 | 119.9° | 119.5° |
| C7 | C3 | C4 | C6 | 53.7° | 65.3° |
| C7 | C3 | C4 | C5 | 69.6° | 54.6° |
| C7 | C3 | C4 | H2 | 172.7° | 174.6° |
| C7 | C3 | N | H9 | 106.8° | 30.6° |
| C3 | C7 | N1 | H23 | 3.6° | 38.2° |
| C3 | C4 | C6 | C5 | 124.0° | 120.0° |
| C3 | C4 | C6 | H2 | 119.0° | 120.1° |
| C3 | C4 | C5 | H2 | 117.8° | 120.0° |
| C3 | C4 | C5 | H3 | 180.0° | 90.5° |
| C3 | C4 | C5 | H4 | 60.0° | 149.5° |
| C3 | C4 | C5 | H5 | 60.0° | 29.5° |
| C3 | C4 | C6 | H6 | 180.0° | 86.0° |
| C3 | C4 | C6 | H7 | 60.0° | 34.0° |
| C3 | C4 | C6 | H8 | 60.0° | 154.0° |
| C4 | C3 | N | H9 | 17.9° | 88.3° |
| C6 | C4 | C5 | H2 | 117.1° | 120.0° |
| C6 | C4 | C3 | H1 | 173.6° | 54.2° |
| C6 | C4 | C5 | H3 | 54.9° | 29.4° |
| C6 | C4 | C5 | H4 | 65.1° | 90.5° |
| C6 | C4 | C5 | H5 | 174.9° | 149.5° |
| C4 | C6 | H6 | H7 | 120.0° | 119.9° |
| C4 | C6 | H6 | H8 | 120.0° | 120.0° |
| C4 | C6 | H7 | H8 | 120.0° | 120.0° |
| C5 | C4 | C3 | H1 | 50.3° | 174.1° |
| C4 | C5 | H3 | H4 | 120.0° | 120.0° |
| C4 | C5 | H3 | H5 | 120.0° | 120.0° |
| C4 | C5 | H4 | H5 | 120.0° | 120.0° |
| C5 | C4 | C6 | H6 | 56.0° | 34.0° |
| C5 | C4 | C6 | H7 | 176.0° | 154.0° |
| C5 | C4 | C6 | H8 | 64.0° | 86.1° |
| H1 | C3 | C4 | H2 | 67.4° | 65.9° |
| H1 | C3 | N | H9 | 136.0° | 149.8° |
| H2 | C4 | C5 | H3 | 62.2° | 149.4° |
| H2 | C4 | C5 | H4 | 177.8° | 29.5° |
| H2 | C4 | C5 | H5 | 57.8° | 90.5° |
| H2 | C4 | C6 | H6 | 61.0° | 154.0° |
| H2 | C4 | C6 | H7 | 59.0° | 86.1° |
| H2 | C4 | C6 | H8 | 179.0° | 33.9° |
| H3 | C5 | H4 | H5 | 120.0° | 120.0° |
| H6 | C6 | H7 | H8 | 120.0° | 120.1° |
| H10 | C1 | C | H12 | 71.8° | 51.0° |
| H11 | C1 | C | H12 | 168.2° | 68.3° |
| H12 | C | O | H13 | 61.9° | 52.7° |
| H12 | C | C19 | H14 | 68.0° | 169.7° |
| H14 | C19 | C21 | H15 | 177.5° | 173.7° |
| H14 | C19 | C21 | H16 | 64.7° | 66.2° |
| H14 | C19 | N2 | H22 | 176.0° | 153.3° |
| H17 | C23 | C24 | H18 | 2.5° | 0.0° |
| H18 | C24 | C25 | H19 | 0.4° | 0.0° |
| H19 | C25 | C26 | H20 | 1.4° | 0.0° |
| H20 | C26 | C27 | H21 | 0.4° | 0.2° |
| H23 | N1 | C8 | H24 | 177.5° | 138.6° |
| H23 | N1 | C8 | H25 | 57.0° | 18.4° |
| H24 | C8 | C9 | H26 | 62.5° | 164.5° |
| H24 | C8 | C9 | H27 | 178.1° | 75.5° |
| H25 | C8 | C9 | H26 | 58.0° | 43.9° |
| H25 | C8 | C9 | H27 | 61.3° | 164.0° |
| H26 | C9 | C10 | H28 | 67.9° | 164.6° |
| H26 | C9 | C10 | H29 | 172.6° | 75.6° |
| H27 | C9 | C10 | H28 | 51.4° | 44.6° |
| H27 | C9 | C10 | H29 | 68.0° | 164.4° |
| H28 | C10 | C11 | H30 | 173.8° | 118.4° |
| H28 | C10 | C11 | H31 | 67.6° | 122.0° |
| H29 | C10 | C11 | H30 | 54.4° | 1.5° |
| H29 | C10 | C11 | H31 | 173.0° | 118.1° |
| H30 | C11 | C12 | H32 | 96.9° | 145.4° |
| H30 | C11 | C12 | H33 | 143.0° | 25.2° |
| H31 | C11 | C12 | H32 | 21.7° | 94.8° |
| H31 | C11 | C12 | H33 | 98.4° | 145.0° |
| H32 | C12 | C13 | H34 | 6.5° | 168.7° |
| H32 | C12 | C13 | H35 | 125.5° | 71.4° |
| H33 | C12 | C13 | H34 | 126.6° | 48.6° |
| H33 | C12 | C13 | H35 | 114.4° | 168.5° |
| H34 | C13 | C14 | H36 | 174.7° | 149.3° |
| H34 | C13 | C14 | H37 | 57.0° | 29.5° |
| H35 | C13 | C14 | H36 | 55.7° | 90.7° |
| H35 | C13 | C14 | H37 | 62.0° | 149.5° |
| H36 | C14 | C15 | H38 | 158.0° | 126.1° |
| H36 | C14 | C15 | H39 | 39.5° | 114.1° |
| H37 | C14 | C15 | H38 | 84.4° | 6.2° |
| H37 | C14 | C15 | H39 | 157.2° | 126.0° |
| H38 | C15 | C16 | H40 | 131.9° | 121.7° |
| H38 | C15 | C16 | H41 | 13.7° | 1.6° |
| H39 | C15 | C16 | H40 | 109.7° | 118.3° |
| H39 | C15 | C16 | H41 | 132.1° | 121.6° |
| H40 | C16 | C17 | H42 | 141.6° | 165.4° |
| H40 | C16 | C17 | H43 | 100.3° | 45.2° |
| H41 | C16 | C17 | H42 | 100.2° | 74.9° |
| H41 | C16 | C17 | H43 | 17.9° | 165.0° |
| H42 | C17 | C18 | H44 | 34.2° | 179.8° |
| H42 | C17 | C18 | H45 | 84.7° | 60.8° |
| H43 | C17 | C18 | H44 | 152.3° | 60.1° |
| H43 | C17 | C18 | H45 | 33.4° | 179.5° |
