G61
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C24 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| C15 | C13 | sing | 1.53Å | 1.54Å | |
| C26 | C24 | sing | 1.53Å | 1.53Å | |
| C24 | O23 | sing | 1.45Å | 1.41Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| O22 | C21 | doub | 1.22Å | 1.24Å | |
| O23 | C21 | sing | 1.35Å | 1.35Å | |
| C21 | N20 | sing | 1.35Å | 1.34Å | |
| C12 | N11 | sing | 1.46Å | 1.44Å | |
| O10 | S8 | doub | 1.42Å | 1.49Å | |
| N11 | S8 | sing | 1.66Å | 1.63Å | |
| N11 | C16 | sing | 1.47Å | 1.46Å | |
| N20 | C19 | sing | 1.47Å | 1.47Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | O18 | sing | 1.43Å | 1.42Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| S8 | C5 | sing | 1.76Å | 1.76Å | |
| S8 | O9 | doub | 1.42Å | 1.48Å | |
| C19 | C32 | sing | 1.53Å | 1.53Å | |
| C62 | O61 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| O61 | C53 | sing | 1.36Å | 1.36Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C53 | C52 | doub | 1.39Å | 1.39Å | Aromatic |
| C53 | C54 | sing | 1.39Å | 1.40Å | Aromatic |
| C40 | O39 | sing | 1.43Å | 1.43Å | |
| C52 | C51 | sing | 1.39Å | 1.40Å | Aromatic |
| C54 | C55 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | O39 | sing | 1.36Å | 1.36Å | |
| C2 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C32 | C38 | sing | 1.51Å | 1.53Å | |
| C64 | O63 | sing | 1.43Å | 1.44Å | |
| C51 | C34 | sing | 1.48Å | 1.40Å | |
| C51 | C56 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | C34 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C55 | C56 | sing | 1.39Å | 1.40Å | Aromatic |
| C55 | O63 | sing | 1.36Å | 1.36Å | |
| C34 | C35 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C40 | H1 | sing | 1.09Å | 1.10Å | |
| C40 | H2 | sing | 1.09Å | 1.10Å | |
| C40 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| O18 | H20 | sing | 0.97Å | 0.95Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| N20 | H22 | sing | 0.97Å | 1.00Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C52 | H38 | sing | 1.08Å | 1.08Å | |
| C54 | H39 | sing | 1.08Å | 1.08Å | |
| C56 | H40 | sing | 1.08Å | 1.08Å | |
| C62 | H41 | sing | 1.09Å | 1.10Å | |
| C62 | H42 | sing | 1.09Å | 1.10Å | |
| C62 | H43 | sing | 1.09Å | 1.10Å | |
| C64 | H44 | sing | 1.09Å | 1.10Å | |
| C64 | H45 | sing | 1.09Å | 1.10Å | |
| C64 | H46 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C24 | C25 | 106.1° | 109.5° |
| C27 | C24 | C26 | 110.4° | 109.5° |
| C27 | C24 | O23 | 113.6° | 109.4° |
| C24 | C27 | H29 | 109.5° | 109.5° |
| C24 | C27 | H30 | 109.5° | 109.4° |
| C24 | C27 | H31 | 109.4° | 109.5° |
| C25 | C24 | C26 | 108.3° | 109.5° |
| C25 | C24 | O23 | 110.8° | 109.5° |
| C24 | C25 | H23 | 109.5° | 109.4° |
| C24 | C25 | H24 | 109.4° | 109.5° |
| C24 | C25 | H25 | 109.5° | 109.5° |
| C15 | C13 | C14 | 109.3° | 109.5° |
| C15 | C13 | C12 | 110.4° | 109.4° |
| C15 | C13 | H10 | 109.2° | 109.5° |
| C13 | C15 | H14 | 109.5° | 109.5° |
| C13 | C15 | H15 | 109.5° | 109.4° |
| C13 | C15 | H16 | 109.5° | 109.5° |
| C26 | C24 | O23 | 107.6° | 109.4° |
| C24 | C26 | H26 | 109.5° | 109.5° |
| C24 | C26 | H27 | 109.5° | 109.5° |
| C24 | C26 | H28 | 109.5° | 109.5° |
| C24 | O23 | C21 | 122.6° | 117.0° |
| C14 | C13 | C12 | 109.4° | 109.5° |
| C14 | C13 | H10 | 109.3° | 109.5° |
| C13 | C14 | H11 | 109.5° | 109.5° |
| C13 | C14 | H12 | 109.4° | 109.5° |
| C13 | C14 | H13 | 109.5° | 109.4° |
| C13 | C12 | N11 | 109.6° | 109.5° |
| C13 | C12 | H8 | 109.4° | 109.5° |
| C13 | C12 | H9 | 109.4° | 109.5° |
| C12 | C13 | H10 | 109.2° | 109.5° |
| O22 | C21 | O23 | 123.3° | 120.0° |
| O22 | C21 | N20 | 120.3° | 120.0° |
| O23 | C21 | N20 | 116.4° | 120.0° |
| C21 | N20 | C19 | 122.3° | 120.0° |
| C21 | N20 | H22 | 118.9° | 120.0° |
| C12 | N11 | S8 | 117.8° | 120.0° |
| C12 | N11 | C16 | 116.2° | 120.0° |
| N11 | C12 | H8 | 109.4° | 109.5° |
| N11 | C12 | H9 | 109.4° | 109.5° |
| O10 | S8 | N11 | 104.8° | 106.4° |
| O10 | S8 | C5 | 109.6° | 106.4° |
| O10 | S8 | O9 | 114.6° | 123.1° |
| S8 | N11 | C16 | 113.0° | 120.0° |
| N11 | S8 | C5 | 110.6° | 107.2° |
| N11 | S8 | O9 | 107.2° | 106.4° |
| N11 | C16 | C17 | 106.8° | 109.4° |
| N11 | C16 | H17 | 110.2° | 109.4° |
| N11 | C16 | H18 | 110.1° | 109.5° |
| N20 | C19 | C17 | 110.8° | 109.5° |
| N20 | C19 | C32 | 109.1° | 109.5° |
| N20 | C19 | H21 | 108.6° | 109.5° |
| C19 | N20 | H22 | 118.8° | 120.0° |
| C19 | C17 | O18 | 111.6° | 109.5° |
| C19 | C17 | C16 | 110.3° | 109.4° |
| C17 | C19 | C32 | 112.7° | 109.5° |
| C19 | C17 | H19 | 108.8° | 109.4° |
| C17 | C19 | H21 | 107.8° | 109.4° |
| O18 | C17 | C16 | 107.1° | 109.5° |
| O18 | C17 | H19 | 110.3° | 109.5° |
| C17 | O18 | H20 | 109.5° | 114.0° |
| C17 | C16 | H17 | 110.1° | 109.4° |
| C17 | C16 | H18 | 110.1° | 109.5° |
| C16 | C17 | H19 | 108.7° | 109.5° |
| C3 | C4 | C5 | 120.9° | 120.1° |
| C4 | C3 | C2 | 119.3° | 119.9° |
| C4 | C3 | H4 | 120.3° | 120.0° |
| C3 | C4 | H5 | 119.6° | 120.0° |
| C4 | C5 | S8 | 121.0° | 120.0° |
| C4 | C5 | C6 | 119.0° | 120.1° |
| C5 | C4 | H5 | 119.5° | 120.0° |
| C5 | S8 | O9 | 109.8° | 106.4° |
| S8 | C5 | C6 | 119.8° | 119.9° |
| C19 | C32 | C38 | 111.2° | 109.5° |
| C32 | C19 | H21 | 107.8° | 109.5° |
| C19 | C32 | H32 | 109.1° | 109.5° |
| C19 | C32 | H33 | 109.0° | 109.5° |
| C62 | O61 | C53 | 113.9° | 117.0° |
| O61 | C62 | H41 | 109.5° | 109.5° |
| O61 | C62 | H42 | 109.5° | 109.5° |
| O61 | C62 | H43 | 109.5° | 109.4° |
| C3 | C2 | O39 | 119.9° | 120.1° |
| C3 | C2 | C7 | 120.0° | 119.9° |
| C2 | C3 | H4 | 120.4° | 120.1° |
| O61 | C53 | C52 | 120.7° | 120.0° |
| O61 | C53 | C54 | 119.5° | 119.9° |
| C5 | C6 | C7 | 121.1° | 120.1° |
| C5 | C6 | H6 | 119.5° | 120.0° |
| C52 | C53 | C54 | 119.8° | 120.1° |
| C53 | C52 | C51 | 119.3° | 119.9° |
| C53 | C52 | H38 | 120.3° | 120.0° |
| C53 | C54 | C55 | 120.8° | 120.1° |
| C53 | C54 | H39 | 119.6° | 120.0° |
| C40 | O39 | C2 | 110.7° | 117.0° |
| O39 | C40 | H1 | 109.5° | 109.5° |
| O39 | C40 | H2 | 109.5° | 109.5° |
| O39 | C40 | H3 | 109.5° | 109.5° |
| C52 | C51 | C34 | 120.1° | 120.0° |
| C52 | C51 | C56 | 120.7° | 119.9° |
| C51 | C52 | H38 | 120.3° | 120.1° |
| C54 | C55 | C56 | 119.1° | 120.1° |
| C54 | C55 | O63 | 123.1° | 119.9° |
| C55 | C54 | H39 | 119.6° | 119.9° |
| O39 | C2 | C7 | 120.0° | 120.0° |
| C2 | C7 | C6 | 119.3° | 119.9° |
| C2 | C7 | H7 | 120.4° | 120.0° |
| C32 | C38 | C33 | 121.7° | 119.9° |
| C32 | C38 | C37 | 118.8° | 119.9° |
| C38 | C32 | H32 | 109.0° | 109.5° |
| C38 | C32 | H33 | 109.0° | 109.5° |
| C64 | O63 | C55 | 112.5° | 117.0° |
| O63 | C64 | H44 | 109.5° | 109.5° |
| O63 | C64 | H45 | 109.5° | 109.4° |
| O63 | C64 | H46 | 109.5° | 109.5° |
| C34 | C51 | C56 | 119.2° | 120.1° |
| C51 | C34 | C33 | 121.7° | 120.1° |
| C51 | C34 | C35 | 116.6° | 120.1° |
| C51 | C56 | C55 | 120.2° | 119.9° |
| C51 | C56 | H40 | 119.9° | 120.0° |
| C34 | C33 | C38 | 119.9° | 119.8° |
| C33 | C34 | C35 | 120.5° | 119.8° |
| C34 | C33 | H34 | 120.0° | 120.1° |
| C33 | C38 | C37 | 119.6° | 120.1° |
| C38 | C33 | H34 | 120.0° | 120.1° |
| C56 | C55 | O63 | 117.8° | 120.0° |
| C55 | C56 | H40 | 119.9° | 120.1° |
| C34 | C35 | C36 | 118.5° | 119.9° |
| C34 | C35 | H35 | 120.8° | 120.0° |
| C7 | C6 | H6 | 119.5° | 120.0° |
| C6 | C7 | H7 | 120.3° | 120.0° |
| C38 | C37 | C36 | 119.9° | 120.2° |
| C38 | C37 | H37 | 120.1° | 119.9° |
| C35 | C36 | C37 | 121.1° | 120.2° |
| C36 | C35 | H35 | 120.7° | 120.1° |
| C35 | C36 | H36 | 119.5° | 119.9° |
| C37 | C36 | H36 | 119.5° | 119.9° |
| C36 | C37 | H37 | 120.0° | 119.9° |
| H1 | C40 | H2 | 109.5° | 109.5° |
| H1 | C40 | H3 | 109.5° | 109.5° |
| H2 | C40 | H3 | 109.4° | 109.4° |
| H8 | C12 | H9 | 109.5° | 109.4° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H11 | C14 | H13 | 109.5° | 109.4° |
| H12 | C14 | H13 | 109.4° | 109.5° |
| H14 | C15 | H15 | 109.4° | 109.4° |
| H14 | C15 | H16 | 109.4° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H17 | C16 | H18 | 109.5° | 109.5° |
| H23 | C25 | H24 | 109.5° | 109.4° |
| H23 | C25 | H25 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.5° |
| H26 | C26 | H27 | 109.5° | 109.5° |
| H26 | C26 | H28 | 109.4° | 109.5° |
| H27 | C26 | H28 | 109.5° | 109.4° |
| H29 | C27 | H30 | 109.5° | 109.5° |
| H29 | C27 | H31 | 109.5° | 109.5° |
| H30 | C27 | H31 | 109.5° | 109.5° |
| H32 | C32 | H33 | 109.5° | 109.5° |
| H41 | C62 | H42 | 109.4° | 109.5° |
| H41 | C62 | H43 | 109.5° | 109.5° |
| H42 | C62 | H43 | 109.5° | 109.5° |
| H44 | C64 | H45 | 109.4° | 109.4° |
| H44 | C64 | H46 | 109.4° | 109.5° |
| H45 | C64 | H46 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C24 | C25 | C26 | 118.5° | 120.0° |
| C27 | C24 | C25 | O23 | 123.7° | 120.0° |
| C27 | C24 | C26 | O23 | 124.5° | 119.9° |
| C27 | C24 | O23 | C21 | 52.7° | 60.1° |
| C27 | C24 | C25 | H23 | 180.0° | 180.0° |
| C27 | C24 | C25 | H24 | 60.0° | 60.1° |
| C27 | C24 | C25 | H25 | 60.0° | 60.0° |
| C27 | C24 | C26 | H26 | 180.0° | 59.9° |
| C27 | C24 | C26 | H27 | 60.0° | 60.1° |
| C27 | C24 | C26 | H28 | 60.0° | 180.0° |
| C24 | C27 | H29 | H30 | 120.0° | 119.9° |
| C24 | C27 | H29 | H31 | 120.0° | 120.1° |
| C24 | C27 | H30 | H31 | 120.0° | 120.0° |
| C25 | C24 | C26 | O23 | 119.8° | 120.1° |
| C25 | C24 | O23 | C21 | 172.0° | 60.0° |
| C24 | C25 | H23 | H24 | 120.0° | 120.0° |
| C24 | C25 | H23 | H25 | 120.0° | 120.0° |
| C24 | C25 | H24 | H25 | 120.0° | 120.1° |
| C25 | C24 | C26 | H26 | 64.3° | 180.0° |
| C25 | C24 | C26 | H27 | 175.7° | 60.0° |
| C25 | C24 | C26 | H28 | 55.7° | 60.0° |
| C25 | C24 | C27 | H29 | 180.0° | 60.0° |
| C25 | C24 | C27 | H30 | 60.0° | 60.0° |
| C25 | C24 | C27 | H31 | 60.0° | 180.0° |
| C15 | C13 | C14 | C12 | 121.0° | 120.0° |
| C15 | C13 | C14 | H10 | 119.5° | 120.1° |
| C15 | C13 | C12 | H10 | 120.1° | 120.0° |
| C15 | C13 | C12 | N11 | 165.5° | 176.9° |
| C15 | C13 | C12 | H8 | 74.5° | 63.0° |
| C15 | C13 | C12 | H9 | 45.5° | 56.9° |
| C15 | C13 | C14 | H11 | 180.0° | 67.2° |
| C15 | C13 | C14 | H12 | 60.0° | 52.8° |
| C15 | C13 | C14 | H13 | 60.0° | 172.8° |
| C13 | C15 | H14 | H15 | 120.0° | 120.0° |
| C13 | C15 | H14 | H16 | 120.0° | 120.1° |
| C13 | C15 | H15 | H16 | 120.0° | 120.0° |
| C26 | C24 | O23 | C21 | 69.8° | 180.0° |
| C26 | C24 | C25 | H23 | 61.5° | 60.0° |
| C26 | C24 | C25 | H24 | 58.5° | 60.0° |
| C26 | C24 | C25 | H25 | 178.5° | 180.0° |
| C24 | C26 | H26 | H27 | 120.0° | 120.0° |
| C24 | C26 | H26 | H28 | 120.0° | 120.0° |
| C24 | C26 | H27 | H28 | 120.0° | 120.0° |
| C26 | C24 | C27 | H29 | 62.9° | 180.0° |
| C26 | C24 | C27 | H30 | 177.1° | 60.0° |
| C26 | C24 | C27 | H31 | 57.1° | 59.9° |
| C24 | O23 | C21 | O22 | 4.1° | 0.0° |
| C24 | O23 | C21 | N20 | 176.0° | 180.0° |
| O23 | C24 | C25 | H23 | 56.3° | 60.0° |
| O23 | C24 | C25 | H24 | 176.3° | 180.0° |
| O23 | C24 | C25 | H25 | 63.7° | 60.0° |
| O23 | C24 | C26 | H26 | 55.5° | 60.0° |
| O23 | C24 | C26 | H27 | 64.5° | 180.0° |
| O23 | C24 | C26 | H28 | 175.5° | 60.1° |
| O23 | C24 | C27 | H29 | 58.1° | 60.1° |
| O23 | C24 | C27 | H30 | 61.9° | 180.0° |
| O23 | C24 | C27 | H31 | 178.1° | 60.0° |
| C14 | C13 | C12 | H10 | 119.5° | 120.0° |
| C14 | C13 | C12 | N11 | 45.1° | 63.1° |
| C14 | C13 | C12 | H8 | 165.1° | 56.9° |
| C14 | C13 | C12 | H9 | 74.9° | 176.9° |
| C13 | C14 | H11 | H12 | 120.0° | 120.0° |
| C13 | C14 | H11 | H13 | 120.0° | 119.9° |
| C13 | C14 | H12 | H13 | 120.0° | 119.9° |
| C14 | C13 | C15 | H14 | 180.0° | 180.0° |
| C14 | C13 | C15 | H15 | 60.0° | 60.0° |
| C14 | C13 | C15 | H16 | 60.0° | 59.9° |
| C13 | C12 | N11 | H8 | 120.0° | 120.0° |
| C13 | C12 | N11 | H9 | 120.0° | 120.0° |
| C13 | C12 | N11 | S8 | 139.5° | 93.2° |
| C13 | C12 | N11 | C16 | 81.6° | 86.8° |
| C13 | C12 | H8 | H9 | 119.9° | 120.0° |
| C12 | C13 | C14 | H11 | 59.0° | 52.7° |
| C12 | C13 | C14 | H12 | 61.1° | 172.8° |
| C12 | C13 | C14 | H13 | 179.0° | 67.2° |
| C12 | C13 | C15 | H14 | 59.6° | 60.1° |
| C12 | C13 | C15 | H15 | 179.6° | 180.0° |
| C12 | C13 | C15 | H16 | 60.4° | 60.0° |
| O22 | C21 | O23 | N20 | 180.0° | 180.0° |
| O22 | C21 | N20 | C19 | 8.3° | 0.0° |
| O22 | C21 | N20 | H22 | 171.7° | 180.0° |
| O23 | C21 | N20 | C19 | 171.7° | 180.0° |
| O23 | C21 | N20 | H22 | 8.3° | 0.0° |
| C21 | N20 | C19 | H22 | 180.0° | 180.0° |
| C21 | N20 | C19 | C17 | 83.2° | 60.0° |
| C21 | N20 | C19 | C32 | 152.2° | 60.0° |
| C21 | N20 | C19 | H21 | 35.0° | 180.0° |
| C12 | N11 | S8 | O10 | 69.4° | 23.5° |
| C12 | N11 | S8 | C16 | 140.1° | 180.0° |
| C12 | N11 | C16 | C17 | 98.2° | 85.8° |
| C12 | N11 | S8 | C5 | 48.6° | 90.0° |
| C12 | N11 | S8 | O9 | 168.4° | 156.5° |
| N11 | C12 | H8 | H9 | 119.9° | 120.0° |
| N11 | C12 | C13 | H10 | 74.4° | 56.9° |
| C12 | N11 | C16 | H17 | 21.4° | 34.1° |
| C12 | N11 | C16 | H18 | 142.3° | 154.2° |
| O10 | S8 | N11 | C5 | 118.0° | 113.5° |
| O10 | S8 | N11 | O9 | 122.3° | 132.9° |
| O10 | S8 | N11 | C16 | 150.5° | 156.4° |
| O10 | S8 | C5 | C4 | 22.5° | 23.6° |
| O10 | S8 | C5 | O9 | 126.8° | 132.9° |
| O10 | S8 | C5 | C6 | 163.3° | 156.4° |
| S8 | N11 | C16 | C17 | 121.0° | 94.2° |
| N11 | S8 | C5 | C4 | 92.6° | 90.0° |
| N11 | S8 | C5 | O9 | 118.2° | 113.6° |
| N11 | S8 | C5 | C6 | 81.7° | 90.0° |
| S8 | N11 | C12 | H8 | 100.5° | 146.8° |
| S8 | N11 | C12 | H9 | 19.5° | 26.9° |
| S8 | N11 | C16 | H17 | 119.4° | 145.9° |
| S8 | N11 | C16 | H18 | 1.4° | 25.8° |
| N11 | C16 | C17 | C19 | 85.9° | 175.0° |
| N11 | C16 | C17 | O18 | 152.5° | 65.0° |
| N11 | C16 | C17 | H17 | 119.6° | 119.9° |
| N11 | C16 | C17 | H18 | 119.6° | 120.0° |
| C16 | N11 | S8 | C5 | 91.5° | 90.0° |
| C16 | N11 | S8 | O9 | 28.2° | 23.5° |
| C16 | N11 | C12 | H8 | 38.4° | 33.2° |
| C16 | N11 | C12 | H9 | 158.4° | 153.1° |
| N11 | C16 | H17 | H18 | 121.2° | 120.0° |
| N11 | C16 | C17 | H19 | 33.3° | 55.1° |
| N20 | C19 | C17 | C32 | 122.6° | 120.0° |
| N20 | C19 | C17 | H21 | 118.6° | 120.0° |
| N20 | C19 | C17 | O18 | 63.2° | 180.0° |
| N20 | C19 | C17 | C16 | 177.8° | 60.0° |
| N20 | C19 | C32 | H21 | 117.7° | 120.0° |
| N20 | C19 | C32 | C38 | 47.1° | 65.0° |
| N20 | C19 | C17 | H19 | 58.6° | 60.0° |
| N20 | C19 | C32 | H32 | 73.2° | 55.0° |
| N20 | C19 | C32 | H33 | 167.4° | 175.0° |
| C19 | C17 | O18 | C16 | 120.8° | 120.0° |
| C19 | C17 | O18 | H19 | 121.0° | 120.0° |
| C19 | C17 | C16 | H19 | 119.2° | 119.9° |
| C17 | C19 | C32 | H21 | 118.8° | 120.0° |
| C17 | C19 | C32 | C38 | 170.6° | 175.0° |
| C19 | C17 | C16 | H17 | 154.5° | 65.1° |
| C19 | C17 | C16 | H18 | 33.7° | 55.0° |
| C19 | C17 | O18 | H20 | 180.0° | 60.0° |
| C17 | C19 | N20 | H22 | 96.8° | 120.0° |
| C17 | C19 | C32 | H32 | 50.3° | 65.0° |
| C17 | C19 | C32 | H33 | 69.1° | 55.0° |
| O18 | C17 | C16 | H19 | 119.1° | 120.1° |
| O18 | C17 | C19 | C32 | 59.3° | 60.0° |
| O18 | C17 | C16 | H17 | 32.8° | 54.9° |
| O18 | C17 | C16 | H18 | 87.9° | 175.0° |
| O18 | C17 | C19 | H21 | 178.1° | 60.0° |
| C16 | C17 | C19 | C32 | 59.6° | 180.0° |
| C17 | C16 | H17 | H18 | 121.2° | 120.0° |
| C16 | C17 | O18 | H20 | 59.1° | 60.0° |
| C16 | C17 | C19 | H21 | 59.2° | 60.0° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C3 | C4 | C5 | S8 | 170.8° | 180.0° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 3.5° | 0.0° |
| C4 | C3 | C2 | O39 | 177.3° | 180.0° |
| C4 | C3 | C2 | C7 | 0.6° | 0.2° |
| C4 | C5 | S8 | C6 | 174.2° | 180.0° |
| C4 | C5 | S8 | O9 | 149.3° | 156.4° |
| C5 | C4 | C3 | C2 | 4.3° | 0.0° |
| C4 | C5 | C6 | C7 | 2.2° | 0.3° |
| C5 | C4 | C3 | H4 | 175.7° | 180.0° |
| C4 | C5 | C6 | H6 | 177.8° | 180.0° |
| S8 | C5 | C6 | C7 | 176.6° | 179.7° |
| S8 | C5 | C4 | H5 | 9.2° | 0.0° |
| S8 | C5 | C6 | H6 | 3.4° | 0.0° |
| O9 | S8 | C5 | C6 | 36.5° | 23.5° |
| C19 | C32 | C38 | H32 | 120.3° | 120.0° |
| C19 | C32 | C38 | H33 | 120.2° | 120.0° |
| C19 | C32 | C38 | C33 | 65.9° | 90.0° |
| C19 | C32 | C38 | C37 | 114.8° | 90.0° |
| C32 | C19 | C17 | H19 | 178.8° | 60.0° |
| C32 | C19 | N20 | H22 | 27.8° | 120.0° |
| C19 | C32 | H32 | H33 | 119.2° | 120.0° |
| C62 | O61 | C53 | C52 | 6.4° | 180.0° |
| C62 | O61 | C53 | C54 | 173.6° | 0.0° |
| O61 | C62 | H41 | H42 | 120.0° | 120.0° |
| O61 | C62 | H41 | H43 | 120.0° | 120.0° |
| O61 | C62 | H42 | H43 | 120.0° | 120.0° |
| C3 | C2 | O39 | C40 | 17.2° | 0.2° |
| C3 | C2 | O39 | C7 | 176.7° | 179.8° |
| C3 | C2 | C7 | C6 | 6.2° | 0.6° |
| C2 | C3 | C4 | H5 | 175.7° | 180.0° |
| C3 | C2 | C7 | H7 | 173.8° | 179.8° |
| O61 | C53 | C52 | C54 | 180.0° | 180.0° |
| O61 | C53 | C52 | C51 | 180.0° | 180.0° |
| O61 | C53 | C54 | C55 | 180.0° | 180.0° |
| O61 | C53 | C52 | H38 | 0.0° | 0.0° |
| O61 | C53 | C54 | H39 | 0.0° | 0.1° |
| C53 | O61 | C62 | H41 | 180.0° | 60.0° |
| C53 | O61 | C62 | H42 | 60.0° | 180.0° |
| C53 | O61 | C62 | H43 | 60.0° | 60.0° |
| C5 | C6 | C7 | C2 | 7.1° | 0.6° |
| C5 | C6 | C7 | H6 | 180.0° | 179.7° |
| C6 | C5 | C4 | H5 | 176.5° | 179.9° |
| C5 | C6 | C7 | H7 | 172.9° | 179.7° |
| C53 | C52 | C51 | H38 | 180.0° | 180.0° |
| C52 | C53 | C54 | C55 | 0.0° | 0.1° |
| C53 | C52 | C51 | C34 | 179.9° | 180.0° |
| C53 | C52 | C51 | C56 | 0.0° | 0.3° |
| C52 | C53 | C54 | H39 | 180.0° | 179.9° |
| C54 | C53 | C52 | C51 | 0.0° | 0.0° |
| C53 | C54 | C55 | H39 | 180.0° | 179.9° |
| C53 | C54 | C55 | C56 | 0.0° | 0.4° |
| C53 | C54 | C55 | O63 | 180.0° | 180.0° |
| C54 | C53 | C52 | H38 | 180.0° | 180.0° |
| C40 | O39 | C2 | C7 | 166.1° | 180.0° |
| O39 | C40 | H1 | H2 | 120.0° | 120.1° |
| O39 | C40 | H1 | H3 | 120.0° | 120.0° |
| O39 | C40 | H2 | H3 | 120.0° | 120.0° |
| C52 | C51 | C34 | C56 | 179.9° | 179.8° |
| C52 | C51 | C34 | C33 | 145.6° | 0.2° |
| C52 | C51 | C56 | C55 | 0.0° | 0.5° |
| C52 | C51 | C34 | C35 | 46.9° | 179.8° |
| C52 | C51 | C56 | H40 | 179.9° | 179.8° |
| C54 | C55 | O63 | C64 | 1.9° | 0.1° |
| C54 | C55 | C56 | C51 | 0.1° | 0.6° |
| C54 | C55 | C56 | O63 | 180.0° | 179.7° |
| C54 | C55 | C56 | H40 | 179.9° | 179.7° |
| O39 | C2 | C7 | C6 | 177.2° | 179.7° |
| C2 | O39 | C40 | H1 | 180.0° | 180.0° |
| C2 | O39 | C40 | H2 | 60.0° | 59.9° |
| C2 | O39 | C40 | H3 | 60.0° | 60.0° |
| O39 | C2 | C3 | H4 | 2.8° | 0.0° |
| O39 | C2 | C7 | H7 | 2.8° | 0.0° |
| C2 | C7 | C6 | H7 | 180.0° | 179.7° |
| C7 | C2 | C3 | H4 | 179.4° | 179.8° |
| C2 | C7 | C6 | H6 | 172.9° | 179.7° |
| C32 | C38 | C33 | C34 | 173.5° | 180.0° |
| C32 | C38 | C33 | C37 | 179.3° | 180.0° |
| C32 | C38 | C37 | C36 | 178.8° | 180.0° |
| C38 | C32 | C19 | H21 | 70.6° | 55.0° |
| C38 | C32 | H32 | H33 | 119.2° | 120.0° |
| C32 | C38 | C33 | H34 | 6.5° | 0.3° |
| C32 | C38 | C37 | H37 | 1.2° | 0.0° |
| C64 | O63 | C55 | C56 | 178.2° | 179.7° |
| O63 | C64 | H44 | H45 | 120.0° | 119.9° |
| O63 | C64 | H44 | H46 | 120.0° | 120.0° |
| O63 | C64 | H45 | H46 | 120.0° | 120.0° |
| C51 | C34 | C33 | C35 | 167.0° | 180.0° |
| C51 | C34 | C33 | C38 | 176.4° | 180.0° |
| C34 | C51 | C56 | C55 | 180.0° | 179.7° |
| C51 | C34 | C35 | C36 | 173.7° | 180.0° |
| C51 | C34 | C33 | H34 | 3.5° | 0.3° |
| C51 | C34 | C35 | H35 | 6.3° | 0.0° |
| C34 | C51 | C52 | H38 | 0.1° | 0.0° |
| C34 | C51 | C56 | H40 | 0.0° | 0.0° |
| C56 | C51 | C34 | C33 | 34.5° | 180.0° |
| C51 | C56 | C55 | H40 | 180.0° | 179.7° |
| C51 | C56 | C55 | O63 | 180.0° | 179.7° |
| C56 | C51 | C34 | C35 | 133.0° | 0.0° |
| C56 | C51 | C52 | H38 | 180.0° | 179.8° |
| C34 | C33 | C38 | H34 | 180.0° | 179.8° |
| C34 | C33 | C38 | C37 | 7.2° | 0.0° |
| C33 | C34 | C35 | C36 | 6.0° | 0.0° |
| C33 | C34 | C35 | H35 | 174.0° | 180.0° |
| C38 | C33 | C34 | C35 | 9.4° | 0.0° |
| C33 | C38 | C37 | C36 | 1.9° | 0.0° |
| C33 | C38 | C32 | H32 | 173.8° | 30.0° |
| C33 | C38 | C32 | H33 | 54.3° | 150.0° |
| C33 | C38 | C37 | H37 | 178.1° | 180.0° |
| C56 | C55 | C54 | H39 | 180.0° | 179.8° |
| O63 | C55 | C54 | H39 | 0.0° | 0.1° |
| O63 | C55 | C56 | H40 | 0.0° | 0.1° |
| C55 | O63 | C64 | H44 | 180.0° | 60.0° |
| C55 | O63 | C64 | H45 | 60.0° | 60.0° |
| C55 | O63 | C64 | H46 | 60.0° | 180.0° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.6° | 0.0° |
| C35 | C34 | C33 | H34 | 170.6° | 179.7° |
| C34 | C35 | C36 | H36 | 179.3° | 180.0° |
| C38 | C37 | C36 | C35 | 1.4° | 0.0° |
| C38 | C37 | C36 | H37 | 180.0° | 179.9° |
| C37 | C38 | C32 | H32 | 5.5° | 150.0° |
| C37 | C38 | C32 | H33 | 124.9° | 30.0° |
| C37 | C38 | C33 | H34 | 172.7° | 179.7° |
| C38 | C37 | C36 | H36 | 178.6° | 180.0° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | H37 | 178.6° | 179.9° |
| C37 | C36 | C35 | H35 | 179.4° | 180.0° |
| H1 | C40 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | C4 | H5 | 4.3° | 0.0° |
| H6 | C6 | C7 | H7 | 7.1° | 0.0° |
| H8 | C12 | C13 | H10 | 45.6° | 177.0° |
| H9 | C12 | C13 | H10 | 165.6° | 63.1° |
| H10 | C13 | C14 | H11 | 60.5° | 172.7° |
| H10 | C13 | C14 | H12 | 179.5° | 67.2° |
| H10 | C13 | C14 | H13 | 59.5° | 52.8° |
| H10 | C13 | C15 | H14 | 60.5° | 59.9° |
| H10 | C13 | C15 | H15 | 59.5° | 60.0° |
| H10 | C13 | C15 | H16 | 179.5° | 180.0° |
| H11 | C14 | H12 | H13 | 120.0° | 120.0° |
| H14 | C15 | H15 | H16 | 119.9° | 120.0° |
| H17 | C16 | C17 | H19 | 86.3° | 175.0° |
| H18 | C16 | C17 | H19 | 152.9° | 64.9° |
| H19 | C17 | O18 | H20 | 59.0° | 180.0° |
| H19 | C17 | C19 | H21 | 60.0° | 180.0° |
| H21 | C19 | N20 | H22 | 145.0° | 0.0° |
| H21 | C19 | C32 | H32 | 169.1° | 175.0° |
| H21 | C19 | C32 | H33 | 49.7° | 65.0° |
| H23 | C25 | H24 | H25 | 120.0° | 120.0° |
| H26 | C26 | H27 | H28 | 120.0° | 120.0° |
| H29 | C27 | H30 | H31 | 120.0° | 120.0° |
| H35 | C35 | C36 | H36 | 0.7° | 0.0° |
| H36 | C36 | C37 | H37 | 1.4° | 0.0° |
| H41 | C62 | H42 | H43 | 120.0° | 120.0° |
| H44 | C64 | H45 | H46 | 119.9° | 120.0° |
