P3V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C13 | sing | 1.53Å | 1.56Å | |
| C25 | O26 | sing | 1.44Å | 1.43Å | |
| C25 | C24 | sing | 1.54Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| O26 | C27 | sing | 1.44Å | 1.43Å | |
| O39 | C17 | sing | 1.43Å | 1.43Å | |
| C24 | O23 | sing | 1.45Å | 1.45Å | |
| C24 | C31 | sing | 1.54Å | 1.55Å | |
| C27 | O28 | sing | 1.44Å | 1.40Å | |
| C27 | C31 | sing | 1.55Å | 1.57Å | |
| C12 | N11 | sing | 1.46Å | 1.46Å | |
| O23 | C21 | sing | 1.35Å | 1.38Å | |
| O18 | C17 | sing | 1.43Å | 1.43Å | |
| O28 | C29 | sing | 1.44Å | 1.44Å | |
| C21 | O22 | doub | 1.21Å | 1.21Å | |
| C21 | N20 | sing | 1.35Å | 1.35Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | sing | 1.54Å | 1.55Å | |
| N11 | C16 | sing | 1.47Å | 1.46Å | |
| N11 | S8 | sing | 1.66Å | 1.72Å | |
| N20 | C19 | sing | 1.46Å | 1.45Å | |
| C29 | C30 | sing | 1.54Å | 1.54Å | |
| C19 | C32 | sing | 1.53Å | 1.56Å | |
| O10 | S8 | doub | 1.42Å | 1.45Å | |
| S8 | C5 | sing | 1.76Å | 1.80Å | |
| S8 | O9 | doub | 1.42Å | 1.47Å | |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C38 | sing | 1.51Å | 1.52Å | |
| C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | N1 | sing | 1.40Å | 1.37Å | |
| C38 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C37 | C36 | doub | 1.38Å | 1.41Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| O18 | H18 | sing | 0.97Å | 0.95Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| N20 | H20 | sing | 0.97Å | 1.00Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | H34 | sing | 1.08Å | 1.08Å | |
| C36 | H35 | sing | 1.08Å | 1.08Å | |
| C37 | H36 | sing | 1.08Å | 1.08Å | |
| O39 | H37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C13 | C14 | 108.3° | 109.5° |
| C15 | C13 | C12 | 104.7° | 109.5° |
| C15 | C13 | H9 | 111.5° | 109.5° |
| C13 | C15 | H13 | 109.5° | 109.4° |
| C13 | C15 | H14 | 109.4° | 109.5° |
| C13 | C15 | H15 | 109.5° | 109.4° |
| O26 | C25 | C24 | 104.9° | 104.8° |
| C25 | O26 | C27 | 109.1° | 105.6° |
| O26 | C25 | H22 | 110.6° | 110.3° |
| O26 | C25 | H23 | 110.6° | 110.3° |
| C25 | C24 | O23 | 108.0° | 110.5° |
| C25 | C24 | C31 | 100.4° | 104.2° |
| C25 | C24 | H21 | 112.3° | 110.6° |
| C24 | C25 | H22 | 110.6° | 110.4° |
| C24 | C25 | H23 | 110.6° | 110.3° |
| C14 | C13 | C12 | 109.0° | 109.5° |
| C14 | C13 | H9 | 111.7° | 109.5° |
| C13 | C14 | H10 | 109.5° | 109.5° |
| C13 | C14 | H11 | 109.5° | 109.5° |
| C13 | C14 | H12 | 109.4° | 109.4° |
| C13 | C12 | N11 | 116.8° | 109.5° |
| C13 | C12 | H7 | 107.6° | 109.5° |
| C13 | C12 | H8 | 107.6° | 109.5° |
| C12 | C13 | H9 | 111.5° | 109.5° |
| O26 | C27 | O28 | 110.6° | 108.6° |
| O26 | C27 | C31 | 106.3° | 104.8° |
| O26 | C27 | H24 | 110.9° | 112.5° |
| O39 | C17 | O18 | 107.2° | 109.5° |
| O39 | C17 | C16 | 109.4° | 109.5° |
| O39 | C17 | C19 | 106.2° | 109.4° |
| C17 | O39 | H37 | 109.5° | 114.0° |
| O23 | C24 | C31 | 109.7° | 110.5° |
| C24 | O23 | C21 | 117.7° | 117.0° |
| O23 | C24 | H21 | 113.6° | 110.4° |
| C24 | C31 | C27 | 103.2° | 104.0° |
| C24 | C31 | C30 | 116.1° | 108.8° |
| C31 | C24 | H21 | 112.0° | 110.5° |
| C24 | C31 | H29 | 111.7° | 112.8° |
| O28 | C27 | C31 | 108.7° | 104.7° |
| C27 | O28 | C29 | 109.2° | 105.6° |
| O28 | C27 | H24 | 111.4° | 112.5° |
| C27 | C31 | C30 | 101.9° | 104.0° |
| C31 | C27 | H24 | 108.9° | 113.2° |
| C27 | C31 | H29 | 111.4° | 113.1° |
| C12 | N11 | C16 | 117.8° | 120.0° |
| C12 | N11 | S8 | 114.7° | 120.0° |
| N11 | C12 | H7 | 107.6° | 109.5° |
| N11 | C12 | H8 | 107.6° | 109.5° |
| O23 | C21 | O22 | 124.8° | 120.1° |
| O23 | C21 | N20 | 109.1° | 120.0° |
| O18 | C17 | C16 | 107.8° | 109.5° |
| O18 | C17 | C19 | 112.2° | 109.5° |
| C17 | O18 | H18 | 109.5° | 114.0° |
| O28 | C29 | C30 | 105.4° | 104.8° |
| O28 | C29 | H25 | 110.5° | 110.4° |
| O28 | C29 | H26 | 110.5° | 110.4° |
| O22 | C21 | N20 | 126.1° | 120.0° |
| C21 | N20 | C19 | 126.1° | 120.0° |
| C21 | N20 | H20 | 117.0° | 120.0° |
| C16 | C17 | C19 | 113.7° | 109.4° |
| C17 | C16 | N11 | 115.8° | 109.4° |
| C17 | C16 | H16 | 107.9° | 109.5° |
| C17 | C16 | H17 | 107.9° | 109.5° |
| C17 | C19 | N20 | 113.0° | 109.5° |
| C17 | C19 | C32 | 112.9° | 109.4° |
| C17 | C19 | H19 | 107.5° | 109.5° |
| C31 | C30 | C29 | 101.3° | 104.2° |
| C31 | C30 | H27 | 111.5° | 110.5° |
| C31 | C30 | H28 | 111.5° | 110.6° |
| C30 | C31 | H29 | 111.7° | 113.4° |
| C16 | N11 | S8 | 114.5° | 120.0° |
| N11 | C16 | H16 | 107.9° | 109.5° |
| N11 | C16 | H17 | 107.9° | 109.5° |
| N11 | S8 | O10 | 107.7° | 106.4° |
| N11 | S8 | C5 | 106.5° | 107.2° |
| N11 | S8 | O9 | 105.5° | 106.4° |
| N20 | C19 | C32 | 107.4° | 109.5° |
| N20 | C19 | H19 | 108.6° | 109.5° |
| C19 | N20 | H20 | 116.9° | 120.0° |
| C30 | C29 | H25 | 110.5° | 110.4° |
| C30 | C29 | H26 | 110.5° | 110.4° |
| C29 | C30 | H27 | 111.5° | 110.5° |
| C29 | C30 | H28 | 111.5° | 110.5° |
| C19 | C32 | C38 | 106.8° | 109.4° |
| C32 | C19 | H19 | 107.2° | 109.5° |
| C19 | C32 | H30 | 110.2° | 109.5° |
| C19 | C32 | H31 | 110.1° | 109.5° |
| O10 | S8 | C5 | 108.9° | 106.4° |
| O10 | S8 | O9 | 120.5° | 123.1° |
| C5 | S8 | O9 | 107.0° | 106.4° |
| S8 | C5 | C6 | 120.2° | 119.9° |
| S8 | C5 | C4 | 119.2° | 120.0° |
| C5 | C6 | C7 | 119.7° | 120.0° |
| C6 | C5 | C4 | 120.6° | 120.2° |
| C5 | C6 | H5 | 120.2° | 120.0° |
| C6 | C7 | C2 | 120.1° | 119.9° |
| C7 | C6 | H5 | 120.1° | 120.0° |
| C6 | C7 | H6 | 119.9° | 120.1° |
| C32 | C38 | C33 | 120.9° | 120.0° |
| C32 | C38 | C37 | 118.2° | 120.0° |
| C38 | C32 | H30 | 110.1° | 109.4° |
| C38 | C32 | H31 | 110.1° | 109.5° |
| C5 | C4 | C3 | 120.2° | 120.1° |
| C5 | C4 | H4 | 119.9° | 120.0° |
| C7 | C2 | C3 | 119.6° | 119.8° |
| C7 | C2 | N1 | 120.3° | 120.1° |
| C2 | C7 | H6 | 119.9° | 120.0° |
| C4 | C3 | C2 | 119.8° | 119.9° |
| C4 | C3 | H3 | 120.1° | 120.0° |
| C3 | C4 | H4 | 119.9° | 119.9° |
| C3 | C2 | N1 | 120.1° | 120.0° |
| C2 | C3 | H3 | 120.1° | 120.1° |
| C2 | N1 | H1 | 109.5° | 120.1° |
| C2 | N1 | H2 | 109.5° | 120.0° |
| C33 | C38 | C37 | 120.8° | 120.0° |
| C38 | C33 | C34 | 120.3° | 120.0° |
| C38 | C33 | H32 | 119.9° | 120.0° |
| C38 | C37 | C36 | 118.5° | 120.0° |
| C38 | C37 | H36 | 120.7° | 120.0° |
| C33 | C34 | C35 | 119.6° | 120.0° |
| C34 | C33 | H32 | 119.9° | 119.9° |
| C33 | C34 | H33 | 120.2° | 120.0° |
| C37 | C36 | C35 | 120.9° | 120.0° |
| C37 | C36 | H35 | 119.5° | 120.0° |
| C36 | C37 | H36 | 120.8° | 120.0° |
| C34 | C35 | C36 | 119.9° | 120.0° |
| C35 | C34 | H33 | 120.2° | 120.0° |
| C34 | C35 | H34 | 120.0° | 120.0° |
| C36 | C35 | H34 | 120.1° | 120.0° |
| C35 | C36 | H35 | 119.6° | 120.0° |
| H1 | N1 | H2 | 109.4° | 119.9° |
| H7 | C12 | H8 | 109.5° | 109.4° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H10 | C14 | H12 | 109.4° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.4° |
| H13 | C15 | H14 | 109.4° | 109.5° |
| H13 | C15 | H15 | 109.5° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H22 | C25 | H23 | 109.5° | 110.5° |
| H25 | C29 | H26 | 109.4° | 110.4° |
| H27 | C30 | H28 | 109.5° | 110.4° |
| H30 | C32 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C13 | C14 | C12 | 113.3° | 120.0° |
| C15 | C13 | C14 | H9 | 123.1° | 120.0° |
| C15 | C13 | C12 | H9 | 120.6° | 120.0° |
| C15 | C13 | C12 | N11 | 177.6° | 65.9° |
| C15 | C13 | C12 | H7 | 61.3° | 174.1° |
| C15 | C13 | C12 | H8 | 56.6° | 54.1° |
| C15 | C13 | C14 | H10 | 180.0° | 60.1° |
| C15 | C13 | C14 | H11 | 60.0° | 60.0° |
| C15 | C13 | C14 | H12 | 60.0° | 179.9° |
| C13 | C15 | H13 | H14 | 120.0° | 120.0° |
| C13 | C15 | H13 | H15 | 120.0° | 119.9° |
| C13 | C15 | H14 | H15 | 120.0° | 120.0° |
| O26 | C25 | C24 | H22 | 119.3° | 118.8° |
| O26 | C25 | C24 | H23 | 119.3° | 118.8° |
| O26 | C25 | C24 | O23 | 74.6° | 94.1° |
| O26 | C25 | C24 | C31 | 40.3° | 24.6° |
| C25 | O26 | C27 | O28 | 132.3° | 151.2° |
| C25 | O26 | C27 | C31 | 14.5° | 39.7° |
| O26 | C25 | C24 | H21 | 159.4° | 143.3° |
| O26 | C25 | H22 | H23 | 122.1° | 122.3° |
| C25 | O26 | C27 | H24 | 103.6° | 83.6° |
| C24 | C25 | O26 | C27 | 35.2° | 40.5° |
| C25 | C24 | O23 | C31 | 108.6° | 114.8° |
| C25 | C24 | O23 | H21 | 125.2° | 122.7° |
| C25 | C24 | C31 | H21 | 119.4° | 118.8° |
| C25 | C24 | C31 | C27 | 30.3° | 1.1° |
| C25 | C24 | O23 | C21 | 140.9° | 95.2° |
| C25 | C24 | C31 | C30 | 140.8° | 111.4° |
| C24 | C25 | H22 | H23 | 122.1° | 122.3° |
| C25 | C24 | C31 | H29 | 89.5° | 121.8° |
| C14 | C13 | C12 | H9 | 123.8° | 120.0° |
| C14 | C13 | C12 | N11 | 62.0° | 174.1° |
| C14 | C13 | C12 | H7 | 177.0° | 54.1° |
| C14 | C13 | C12 | H8 | 59.1° | 65.9° |
| C13 | C14 | H10 | H11 | 120.0° | 120.1° |
| C13 | C14 | H10 | H12 | 120.0° | 119.9° |
| C13 | C14 | H11 | H12 | 120.0° | 119.9° |
| C14 | C13 | C15 | H13 | 180.0° | 178.1° |
| C14 | C13 | C15 | H14 | 60.0° | 61.9° |
| C14 | C13 | C15 | H15 | 60.0° | 58.1° |
| C13 | C12 | N11 | H7 | 121.0° | 120.0° |
| C13 | C12 | N11 | H8 | 121.1° | 120.0° |
| C13 | C12 | N11 | C16 | 92.4° | 64.1° |
| C13 | C12 | N11 | S8 | 128.2° | 115.9° |
| C13 | C12 | H7 | H8 | 116.7° | 120.0° |
| C12 | C13 | C14 | H10 | 66.7° | 60.0° |
| C12 | C13 | C14 | H11 | 53.3° | 179.9° |
| C12 | C13 | C14 | H12 | 173.3° | 60.0° |
| C12 | C13 | C15 | H13 | 63.9° | 58.1° |
| C12 | C13 | C15 | H14 | 176.1° | 178.1° |
| C12 | C13 | C15 | H15 | 56.1° | 61.9° |
| O26 | C27 | C31 | C24 | 11.3° | 22.8° |
| O26 | C27 | O28 | C31 | 116.3° | 111.5° |
| O26 | C27 | O28 | H24 | 123.8° | 125.2° |
| O26 | C27 | C31 | H24 | 119.5° | 122.9° |
| O26 | C27 | O28 | C29 | 105.6° | 71.5° |
| O26 | C27 | C31 | C30 | 132.1° | 91.0° |
| C27 | O26 | C25 | H22 | 154.5° | 78.3° |
| C27 | O26 | C25 | H23 | 84.1° | 159.3° |
| O26 | C27 | C31 | H29 | 108.7° | 145.5° |
| O39 | C17 | O18 | C16 | 117.7° | 120.1° |
| O39 | C17 | O18 | C19 | 116.2° | 120.0° |
| O39 | C17 | C16 | C19 | 118.6° | 120.0° |
| O39 | C17 | C16 | N11 | 45.7° | 54.5° |
| O39 | C17 | C19 | N20 | 41.6° | 55.0° |
| O39 | C17 | C19 | C32 | 163.7° | 175.0° |
| O39 | C17 | C16 | H16 | 166.6° | 174.5° |
| O39 | C17 | C16 | H17 | 75.2° | 65.5° |
| O39 | C17 | O18 | H18 | 180.0° | 176.4° |
| O39 | C17 | C19 | H19 | 78.2° | 65.0° |
| O23 | C24 | C31 | H21 | 127.1° | 122.5° |
| O23 | C24 | C31 | C27 | 83.2° | 117.6° |
| C24 | O23 | C21 | O22 | 18.0° | 0.0° |
| C24 | O23 | C21 | N20 | 161.9° | 180.0° |
| O23 | C24 | C31 | C30 | 27.3° | 7.3° |
| O23 | C24 | C25 | H22 | 44.7° | 147.1° |
| O23 | C24 | C25 | H23 | 166.1° | 24.7° |
| O23 | C24 | C31 | H29 | 157.0° | 119.4° |
| C24 | C31 | C27 | O28 | 107.7° | 137.0° |
| C24 | C31 | C27 | C30 | 120.8° | 113.8° |
| C24 | C31 | C27 | H29 | 120.0° | 122.8° |
| C31 | C24 | O23 | C21 | 110.6° | 150.0° |
| C24 | C31 | C30 | H29 | 129.7° | 126.4° |
| C24 | C31 | C30 | C29 | 81.9° | 109.6° |
| C31 | C24 | C25 | H22 | 159.5° | 94.2° |
| C31 | C24 | C25 | H23 | 79.0° | 143.4° |
| C24 | C31 | C27 | H24 | 130.8° | 100.1° |
| C24 | C31 | C30 | H27 | 36.8° | 131.7° |
| C24 | C31 | C30 | H28 | 159.4° | 9.2° |
| O28 | C27 | C31 | H24 | 121.5° | 122.9° |
| O28 | C27 | C31 | C30 | 13.1° | 23.2° |
| C27 | O28 | C29 | C30 | 30.6° | 40.6° |
| C27 | O28 | C29 | H25 | 150.0° | 159.4° |
| C27 | O28 | C29 | H26 | 88.8° | 78.2° |
| O28 | C27 | C31 | H29 | 132.3° | 100.3° |
| C31 | C27 | O28 | C29 | 10.6° | 40.0° |
| C27 | C31 | C30 | H29 | 119.0° | 123.2° |
| C27 | C31 | C30 | C29 | 29.4° | 0.8° |
| C27 | C31 | C24 | H21 | 149.7° | 119.9° |
| C27 | C31 | C30 | H27 | 148.1° | 117.9° |
| C27 | C31 | C30 | H28 | 89.3° | 119.5° |
| C12 | N11 | C16 | C17 | 109.7° | 81.3° |
| C12 | N11 | C16 | S8 | 139.5° | 180.0° |
| C12 | N11 | S8 | O10 | 59.1° | 23.5° |
| C12 | N11 | S8 | C5 | 57.5° | 90.0° |
| C12 | N11 | S8 | O9 | 171.0° | 156.4° |
| N11 | C12 | H7 | H8 | 116.7° | 120.0° |
| N11 | C12 | C13 | H9 | 61.7° | 54.1° |
| C12 | N11 | C16 | H16 | 129.4° | 38.6° |
| C12 | N11 | C16 | H17 | 11.3° | 158.7° |
| O23 | C21 | O22 | N20 | 179.9° | 180.0° |
| O23 | C21 | N20 | C19 | 170.9° | 180.0° |
| O23 | C21 | N20 | H20 | 9.1° | 0.0° |
| C21 | O23 | C24 | H21 | 15.7° | 27.5° |
| O18 | C17 | C16 | C19 | 125.2° | 120.0° |
| O18 | C17 | C16 | N11 | 161.9° | 65.5° |
| O18 | C17 | C19 | N20 | 75.3° | 65.0° |
| O18 | C17 | C19 | C32 | 46.9° | 55.0° |
| O18 | C17 | C16 | H16 | 77.2° | 54.4° |
| O18 | C17 | C16 | H17 | 41.0° | 174.5° |
| O18 | C17 | C19 | H19 | 165.0° | 175.0° |
| O18 | C17 | O39 | H37 | 180.0° | 180.0° |
| O28 | C29 | C30 | C31 | 37.3° | 24.5° |
| O28 | C29 | C30 | H25 | 119.4° | 118.8° |
| O28 | C29 | C30 | H26 | 119.4° | 118.8° |
| C29 | O28 | C27 | H24 | 130.6° | 163.4° |
| O28 | C29 | H25 | H26 | 121.9° | 122.3° |
| O28 | C29 | C30 | H27 | 156.0° | 94.2° |
| O28 | C29 | C30 | H28 | 81.3° | 143.3° |
| O22 | C21 | N20 | C19 | 9.2° | 0.0° |
| O22 | C21 | N20 | H20 | 170.8° | 180.0° |
| C21 | N20 | C19 | C17 | 95.2° | 155.0° |
| C21 | N20 | C19 | H20 | 180.0° | 180.0° |
| C21 | N20 | C19 | C32 | 139.6° | 85.0° |
| C21 | N20 | C19 | H19 | 24.0° | 35.0° |
| C17 | C16 | N11 | H16 | 120.9° | 120.0° |
| C17 | C16 | N11 | H17 | 120.9° | 120.0° |
| C17 | C16 | N11 | S8 | 110.8° | 98.7° |
| C16 | C17 | C19 | N20 | 162.0° | 175.0° |
| C16 | C17 | C19 | C32 | 75.9° | 65.0° |
| C17 | C16 | H16 | H17 | 117.2° | 120.1° |
| C16 | C17 | O18 | H18 | 62.3° | 63.6° |
| C16 | C17 | C19 | H19 | 42.2° | 55.0° |
| C16 | C17 | O39 | H37 | 63.3° | 59.9° |
| C19 | C17 | C16 | N11 | 72.9° | 174.5° |
| C17 | C19 | N20 | C32 | 125.2° | 120.0° |
| C17 | C19 | N20 | H19 | 119.2° | 120.0° |
| C17 | C19 | C32 | H19 | 118.2° | 120.0° |
| C17 | C19 | C32 | C38 | 177.6° | 175.0° |
| C19 | C17 | C16 | H16 | 48.0° | 65.6° |
| C19 | C17 | C16 | H17 | 166.2° | 54.5° |
| C19 | C17 | O18 | H18 | 63.8° | 56.4° |
| C17 | C19 | N20 | H20 | 84.8° | 25.0° |
| C17 | C19 | C32 | H30 | 58.0° | 65.1° |
| C17 | C19 | C32 | H31 | 62.8° | 55.0° |
| C19 | C17 | O39 | H37 | 59.8° | 60.0° |
| C31 | C30 | C29 | H27 | 118.7° | 118.7° |
| C31 | C30 | C29 | H28 | 118.7° | 118.8° |
| C30 | C31 | C24 | H21 | 99.8° | 129.8° |
| C30 | C31 | C27 | H24 | 108.4° | 146.1° |
| C31 | C30 | C29 | H25 | 156.7° | 143.3° |
| C31 | C30 | C29 | H26 | 82.1° | 94.4° |
| C31 | C30 | H27 | H28 | 123.8° | 122.7° |
| C16 | N11 | S8 | O10 | 160.1° | 156.5° |
| C16 | N11 | S8 | C5 | 83.3° | 90.0° |
| C16 | N11 | S8 | O9 | 30.2° | 23.6° |
| C16 | N11 | C12 | H7 | 28.6° | 55.9° |
| C16 | N11 | C12 | H8 | 146.5° | 175.9° |
| N11 | C16 | H16 | H17 | 117.1° | 120.0° |
| N11 | S8 | O10 | C5 | 115.0° | 114.1° |
| N11 | S8 | O10 | O9 | 120.9° | 123.0° |
| N11 | S8 | C5 | O9 | 112.5° | 113.6° |
| N11 | S8 | C5 | C6 | 92.3° | 90.1° |
| N11 | S8 | C5 | C4 | 87.5° | 90.0° |
| S8 | N11 | C12 | H7 | 110.8° | 124.0° |
| S8 | N11 | C12 | H8 | 7.1° | 4.1° |
| S8 | N11 | C16 | H16 | 10.1° | 141.4° |
| S8 | N11 | C16 | H17 | 128.2° | 21.4° |
| N20 | C19 | C32 | H19 | 116.5° | 120.0° |
| N20 | C19 | C32 | C38 | 52.4° | 65.0° |
| N20 | C19 | C32 | H30 | 67.2° | 54.9° |
| N20 | C19 | C32 | H31 | 171.9° | 175.0° |
| C30 | C29 | H25 | H26 | 121.9° | 122.3° |
| C29 | C30 | H27 | H28 | 123.8° | 122.6° |
| C29 | C30 | C31 | H29 | 148.3° | 124.0° |
| C19 | C32 | C38 | H30 | 119.6° | 120.0° |
| C19 | C32 | C38 | H31 | 119.6° | 120.0° |
| C19 | C32 | C38 | C33 | 106.8° | 90.0° |
| C19 | C32 | C38 | C37 | 73.1° | 89.5° |
| C32 | C19 | N20 | H20 | 40.4° | 95.0° |
| C19 | C32 | H30 | H31 | 121.3° | 120.1° |
| O10 | S8 | C5 | O9 | 131.7° | 132.9° |
| O10 | S8 | C5 | C6 | 23.5° | 156.4° |
| O10 | S8 | C5 | C4 | 156.7° | 23.5° |
| S8 | C5 | C6 | C4 | 179.8° | 179.9° |
| S8 | C5 | C6 | C7 | 179.7° | 179.8° |
| S8 | C5 | C4 | C3 | 179.7° | 180.0° |
| S8 | C5 | C4 | H4 | 0.3° | 0.1° |
| S8 | C5 | C6 | H5 | 0.3° | 0.1° |
| O9 | S8 | C5 | C6 | 155.2° | 23.5° |
| O9 | S8 | C5 | C4 | 25.0° | 156.4° |
| C5 | C6 | C7 | H5 | 180.0° | 179.7° |
| C5 | C6 | C7 | C2 | 0.0° | 0.6° |
| C6 | C5 | C4 | C3 | 0.1° | 0.1° |
| C6 | C5 | C4 | H4 | 179.9° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 0.1° | 0.3° |
| C6 | C7 | C2 | H6 | 180.0° | 179.5° |
| C6 | C7 | C2 | C3 | 0.0° | 0.6° |
| C6 | C7 | C2 | N1 | 180.0° | 179.8° |
| C32 | C38 | C33 | C37 | 179.9° | 179.4° |
| C32 | C38 | C33 | C34 | 180.0° | 180.0° |
| C32 | C38 | C37 | C36 | 180.0° | 180.0° |
| C38 | C32 | C19 | H19 | 64.1° | 55.0° |
| C38 | C32 | H30 | H31 | 121.2° | 120.0° |
| C32 | C38 | C33 | H32 | 0.0° | 0.3° |
| C32 | C38 | C37 | H36 | 0.0° | 0.3° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.0° | 0.1° |
| C5 | C4 | C3 | H3 | 179.9° | 180.0° |
| C4 | C5 | C6 | H5 | 179.9° | 180.0° |
| C7 | C2 | C3 | C4 | 0.0° | 0.3° |
| C7 | C2 | C3 | N1 | 180.0° | 179.7° |
| C7 | C2 | N1 | H1 | 180.0° | 179.7° |
| C7 | C2 | N1 | H2 | 60.0° | 0.5° |
| C7 | C2 | C3 | H3 | 180.0° | 179.8° |
| C2 | C7 | C6 | H5 | 180.0° | 179.7° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | N1 | 180.0° | 180.0° |
| C3 | C2 | N1 | H1 | 0.0° | 0.0° |
| C3 | C2 | N1 | H2 | 120.0° | 179.8° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| C3 | C2 | C7 | H6 | 180.0° | 179.9° |
| C2 | N1 | H1 | H2 | 120.0° | 179.8° |
| N1 | C2 | C3 | H3 | 0.0° | 0.1° |
| N1 | C2 | C7 | H6 | 0.0° | 0.2° |
| C38 | C33 | C34 | H32 | 180.0° | 179.6° |
| C33 | C38 | C37 | C36 | 0.0° | 0.6° |
| C38 | C33 | C34 | C35 | 0.1° | 0.3° |
| C33 | C38 | C32 | H30 | 12.8° | 30.0° |
| C33 | C38 | C32 | H31 | 133.6° | 150.0° |
| C38 | C33 | C34 | H33 | 179.9° | 179.7° |
| C33 | C38 | C37 | H36 | 180.0° | 179.7° |
| C37 | C38 | C33 | C34 | 0.1° | 0.6° |
| C38 | C37 | C36 | H36 | 180.0° | 179.7° |
| C38 | C37 | C36 | C35 | 0.0° | 0.3° |
| C37 | C38 | C32 | H30 | 167.3° | 150.6° |
| C37 | C38 | C32 | H31 | 46.4° | 30.6° |
| C37 | C38 | C33 | H32 | 179.9° | 179.8° |
| C38 | C37 | C36 | H35 | 180.0° | 179.8° |
| C33 | C34 | C35 | H33 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.1° | 0.0° |
| C33 | C34 | C35 | H34 | 179.9° | 180.0° |
| C37 | C36 | C35 | C34 | 0.0° | 0.0° |
| C37 | C36 | C35 | H35 | 180.0° | 179.9° |
| C37 | C36 | C35 | H34 | 180.0° | 180.0° |
| C34 | C35 | C36 | H34 | 180.0° | 180.0° |
| C35 | C34 | C33 | H32 | 179.9° | 180.0° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C36 | C35 | C34 | H33 | 179.9° | 180.0° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| H3 | C3 | C4 | H4 | 0.1° | 0.1° |
| H5 | C6 | C7 | H6 | 0.0° | 0.2° |
| H7 | C12 | C13 | H9 | 59.3° | 65.9° |
| H8 | C12 | C13 | H9 | 177.2° | 174.1° |
| H9 | C13 | C14 | H10 | 56.9° | 180.0° |
| H9 | C13 | C14 | H11 | 176.9° | 60.0° |
| H9 | C13 | C14 | H12 | 63.1° | 60.0° |
| H9 | C13 | C15 | H13 | 56.7° | 61.9° |
| H9 | C13 | C15 | H14 | 63.2° | 58.1° |
| H9 | C13 | C15 | H15 | 176.8° | 178.1° |
| H10 | C14 | H11 | H12 | 120.0° | 120.0° |
| H13 | C15 | H14 | H15 | 120.0° | 120.0° |
| H19 | C19 | N20 | H20 | 156.0° | 145.0° |
| H19 | C19 | C32 | H30 | 176.3° | 174.9° |
| H19 | C19 | C32 | H31 | 55.4° | 65.0° |
| H21 | C24 | C25 | H22 | 81.3° | 24.5° |
| H21 | C24 | C25 | H23 | 40.2° | 97.9° |
| H21 | C24 | C31 | H29 | 29.9° | 3.1° |
| H24 | C27 | C31 | H29 | 10.8° | 22.7° |
| H25 | C29 | C30 | H27 | 84.6° | 24.6° |
| H25 | C29 | C30 | H28 | 38.0° | 97.9° |
| H26 | C29 | C30 | H27 | 36.6° | 147.0° |
| H26 | C29 | C30 | H28 | 159.3° | 24.5° |
| H27 | C30 | C31 | H29 | 93.0° | 5.3° |
| H28 | C30 | C31 | H29 | 29.7° | 117.3° |
| H32 | C33 | C34 | H33 | 0.1° | 0.1° |
| H33 | C34 | C35 | H34 | 0.1° | 0.0° |
| H34 | C35 | C36 | H35 | 0.0° | 0.1° |
| H35 | C36 | C37 | H36 | 0.0° | 0.1° |
