0KJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C24 | sing | 1.54Å | 1.53Å | |
| C25 | C26 | sing | 1.55Å | 1.52Å | |
| C24 | N29 | sing | 1.47Å | 1.44Å | |
| C24 | C22 | sing | 1.53Å | 1.52Å | |
| C35 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| N29 | C27 | sing | 1.34Å | 1.32Å | |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C22 | O23 | sing | 1.45Å | 1.43Å | |
| C36 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | O28 | doub | 1.21Å | 1.21Å | |
| C33 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| O22 | C21 | doub | 1.21Å | 1.22Å | |
| O23 | C21 | sing | 1.35Å | 1.45Å | |
| C37 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | N20 | sing | 1.35Å | 1.33Å | |
| C38 | C32 | sing | 1.51Å | 1.52Å | |
| N20 | C19 | sing | 1.46Å | 1.45Å | |
| O9 | S8 | doub | 1.42Å | 1.44Å | |
| C32 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C17 | sing | 1.53Å | 1.53Å | |
| O10 | S8 | doub | 1.42Å | 1.43Å | |
| S8 | N11 | sing | 1.66Å | 1.63Å | |
| S8 | C5 | sing | 1.76Å | 1.64Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| N11 | C12 | sing | 1.47Å | 1.48Å | |
| N11 | C16 | sing | 1.47Å | 1.49Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C17 | O18 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | doub | 1.36Å | 1.39Å | Aromatic |
| C18 | C15 | sing | 1.53Å | 1.52Å | |
| C3 | S1 | sing | 1.76Å | 1.71Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| S1 | C1 | sing | 1.71Å | 1.74Å | Aromatic |
| C7 | C2 | sing | 1.41Å | 1.38Å | Aromatic |
| C2 | N1 | sing | 1.35Å | 1.35Å | Aromatic |
| C1 | N1 | doub | 1.28Å | 1.34Å | Aromatic |
| N29 | H1 | sing | 0.97Å | 1.00Å | |
| C24 | H2 | sing | 1.09Å | 1.10Å | |
| C25 | H3 | sing | 1.09Å | 1.10Å | |
| C25 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| N20 | H9 | sing | 0.97Å | 1.00Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C32 | H11 | sing | 1.09Å | 1.10Å | |
| C32 | H12 | sing | 1.09Å | 1.10Å | |
| C37 | H13 | sing | 1.08Å | 1.08Å | |
| C36 | H14 | sing | 1.08Å | 1.08Å | |
| C35 | H15 | sing | 1.08Å | 1.08Å | |
| C34 | H16 | sing | 1.08Å | 1.08Å | |
| C33 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| O18 | H19 | sing | 0.97Å | 0.95Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C6 | H33 | sing | 1.08Å | 1.08Å | |
| C7 | H34 | sing | 1.08Å | 1.08Å | |
| C4 | H35 | sing | 1.08Å | 1.08Å | |
| C1 | H36 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C25 | C26 | 106.6° | 101.7° |
| C25 | C24 | N29 | 103.8° | 105.5° |
| C25 | C24 | C22 | 112.8° | 110.2° |
| C25 | C24 | H2 | 109.7° | 110.4° |
| C24 | C25 | H3 | 110.2° | 111.0° |
| C24 | C25 | H4 | 110.2° | 110.9° |
| C25 | C26 | C27 | 102.9° | 104.1° |
| C26 | C25 | H3 | 110.2° | 111.2° |
| C26 | C25 | H4 | 110.2° | 110.8° |
| C25 | C26 | H5 | 111.1° | 110.5° |
| C25 | C26 | H6 | 111.1° | 110.5° |
| N29 | C24 | C22 | 109.7° | 110.2° |
| C24 | N29 | C27 | 114.0° | 111.3° |
| C24 | N29 | H1 | 123.0° | 124.4° |
| N29 | C24 | H2 | 111.0° | 110.2° |
| C24 | C22 | O23 | 106.5° | 109.5° |
| C22 | C24 | H2 | 109.8° | 110.2° |
| C24 | C22 | H7 | 110.2° | 109.4° |
| C24 | C22 | H8 | 110.2° | 109.5° |
| C34 | C35 | C36 | 119.6° | 120.0° |
| C35 | C34 | C33 | 119.9° | 120.0° |
| C34 | C35 | H15 | 120.2° | 120.0° |
| C35 | C34 | H16 | 120.1° | 120.0° |
| C35 | C36 | C37 | 120.2° | 120.0° |
| C35 | C36 | H14 | 119.9° | 120.0° |
| C36 | C35 | H15 | 120.2° | 120.0° |
| C34 | C33 | C38 | 120.6° | 120.0° |
| C33 | C34 | H16 | 120.0° | 120.0° |
| C34 | C33 | H17 | 119.7° | 120.0° |
| N29 | C27 | C26 | 110.8° | 110.1° |
| N29 | C27 | O28 | 125.7° | 125.0° |
| C27 | N29 | H1 | 123.0° | 124.3° |
| C26 | C27 | O28 | 123.4° | 124.9° |
| C27 | C26 | H5 | 111.1° | 110.8° |
| C27 | C26 | H6 | 111.1° | 110.3° |
| C22 | O23 | C21 | 119.8° | 117.0° |
| O23 | C22 | H7 | 110.2° | 109.5° |
| O23 | C22 | H8 | 110.2° | 109.5° |
| C36 | C37 | C38 | 120.2° | 120.0° |
| C36 | C37 | H13 | 119.9° | 120.0° |
| C37 | C36 | H14 | 119.9° | 120.0° |
| C33 | C38 | C37 | 119.4° | 120.0° |
| C33 | C38 | C32 | 121.1° | 120.0° |
| C38 | C33 | H17 | 119.7° | 120.0° |
| O22 | C21 | O23 | 118.4° | 120.0° |
| O22 | C21 | N20 | 125.9° | 120.0° |
| O23 | C21 | N20 | 115.7° | 120.0° |
| C37 | C38 | C32 | 119.6° | 120.0° |
| C38 | C37 | H13 | 119.9° | 120.0° |
| C21 | N20 | C19 | 125.9° | 120.0° |
| C21 | N20 | H9 | 117.1° | 120.0° |
| C38 | C32 | C19 | 111.3° | 109.5° |
| C38 | C32 | H11 | 109.0° | 109.5° |
| C38 | C32 | H12 | 109.0° | 109.5° |
| N20 | C19 | C32 | 108.4° | 109.5° |
| N20 | C19 | C17 | 109.5° | 109.5° |
| C19 | N20 | H9 | 117.0° | 120.0° |
| N20 | C19 | H10 | 108.8° | 109.5° |
| O9 | S8 | O10 | 114.4° | 123.2° |
| O9 | S8 | N11 | 105.7° | 106.4° |
| O9 | S8 | C5 | 108.0° | 106.4° |
| C32 | C19 | C17 | 114.3° | 109.5° |
| C32 | C19 | H10 | 107.8° | 109.4° |
| C19 | C32 | H11 | 109.0° | 109.4° |
| C19 | C32 | H12 | 109.0° | 109.4° |
| C19 | C17 | C16 | 113.6° | 109.5° |
| C19 | C17 | O18 | 110.1° | 109.4° |
| C17 | C19 | H10 | 107.8° | 109.4° |
| C19 | C17 | H18 | 107.8° | 109.5° |
| O10 | S8 | N11 | 107.1° | 106.4° |
| O10 | S8 | C5 | 110.3° | 106.4° |
| N11 | S8 | C5 | 111.2° | 107.2° |
| S8 | N11 | C12 | 113.7° | 120.0° |
| S8 | N11 | C16 | 114.8° | 120.0° |
| S8 | C5 | C4 | 124.7° | 120.0° |
| S8 | C5 | C6 | 118.0° | 120.0° |
| C14 | C13 | C12 | 114.3° | 109.5° |
| C14 | C13 | C15 | 110.0° | 109.5° |
| C14 | C13 | H24 | 107.8° | 109.5° |
| C13 | C14 | H25 | 109.5° | 109.5° |
| C13 | C14 | H26 | 109.5° | 109.4° |
| C13 | C14 | H27 | 109.5° | 109.5° |
| C12 | N11 | C16 | 112.1° | 120.0° |
| N11 | C12 | C13 | 111.8° | 109.4° |
| N11 | C12 | H22 | 108.9° | 109.4° |
| N11 | C12 | H23 | 108.9° | 109.4° |
| N11 | C16 | C17 | 108.8° | 109.5° |
| N11 | C16 | H20 | 109.6° | 109.5° |
| N11 | C16 | H21 | 109.6° | 109.4° |
| C16 | C17 | O18 | 108.3° | 109.5° |
| C16 | C17 | H18 | 107.8° | 109.5° |
| C17 | C16 | H20 | 109.6° | 109.5° |
| C17 | C16 | H21 | 109.7° | 109.5° |
| O18 | C17 | H18 | 109.2° | 109.5° |
| C17 | O18 | H19 | 109.5° | 114.0° |
| C4 | C5 | C6 | 117.2° | 120.1° |
| C5 | C4 | C3 | 121.6° | 119.9° |
| C5 | C4 | H35 | 119.2° | 120.0° |
| C5 | C6 | C7 | 121.4° | 120.8° |
| C5 | C6 | H33 | 119.3° | 119.6° |
| C4 | C3 | S1 | 125.5° | 131.7° |
| C4 | C3 | C2 | 119.5° | 120.3° |
| C3 | C4 | H35 | 119.2° | 120.0° |
| C12 | C13 | C15 | 108.9° | 109.4° |
| C13 | C12 | H22 | 108.9° | 109.5° |
| C13 | C12 | H23 | 108.9° | 109.5° |
| C12 | C13 | H24 | 107.7° | 109.5° |
| C13 | C15 | C18 | 113.7° | 109.5° |
| C15 | C13 | H24 | 107.8° | 109.5° |
| C13 | C15 | H28 | 108.4° | 109.5° |
| C13 | C15 | H29 | 108.4° | 109.5° |
| C6 | C7 | C2 | 120.9° | 120.4° |
| C7 | C6 | H33 | 119.3° | 119.6° |
| C6 | C7 | H34 | 119.6° | 119.8° |
| C18 | C15 | H28 | 108.4° | 109.5° |
| C18 | C15 | H29 | 108.4° | 109.4° |
| C15 | C18 | H30 | 109.5° | 109.4° |
| C15 | C18 | H31 | 109.5° | 109.5° |
| C15 | C18 | H32 | 109.4° | 109.5° |
| S1 | C3 | C2 | 115.0° | 108.0° |
| C3 | S1 | C1 | 86.4° | 90.8° |
| C3 | C2 | C7 | 119.3° | 118.5° |
| C3 | C2 | N1 | 110.7° | 111.8° |
| S1 | C1 | N1 | 115.6° | 111.5° |
| S1 | C1 | H36 | 122.2° | 124.3° |
| C7 | C2 | N1 | 129.9° | 129.7° |
| C2 | C7 | H34 | 119.6° | 119.7° |
| C2 | N1 | C1 | 112.4° | 117.8° |
| N1 | C1 | H36 | 122.2° | 124.2° |
| H3 | C25 | H4 | 109.5° | 110.9° |
| H5 | C26 | H6 | 109.5° | 110.6° |
| H7 | C22 | H8 | 109.5° | 109.5° |
| H11 | C32 | H12 | 109.5° | 109.5° |
| H20 | C16 | H21 | 109.4° | 109.4° |
| H22 | C12 | H23 | 109.5° | 109.4° |
| H25 | C14 | H26 | 109.4° | 109.5° |
| H25 | C14 | H27 | 109.5° | 109.5° |
| H26 | C14 | H27 | 109.5° | 109.4° |
| H28 | C15 | H29 | 109.5° | 109.4° |
| H30 | C18 | H31 | 109.4° | 109.5° |
| H30 | C18 | H32 | 109.5° | 109.5° |
| H31 | C18 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C25 | C26 | H3 | 119.5° | 118.3° |
| C24 | C25 | C26 | H4 | 119.6° | 118.0° |
| C25 | C24 | N29 | C22 | 120.7° | 119.0° |
| C25 | C24 | N29 | H2 | 117.7° | 119.1° |
| C25 | C24 | C22 | H2 | 122.7° | 122.1° |
| C25 | C24 | N29 | C27 | 9.9° | 17.1° |
| C24 | C25 | C26 | C27 | 12.1° | 25.1° |
| C25 | C24 | C22 | O23 | 58.4° | 177.5° |
| C25 | C24 | N29 | H1 | 170.2° | 162.9° |
| C24 | C25 | H3 | H4 | 121.3° | 123.8° |
| C24 | C25 | C26 | H5 | 106.9° | 93.8° |
| C24 | C25 | C26 | H6 | 131.0° | 143.5° |
| C25 | C24 | C22 | H7 | 177.9° | 57.5° |
| C25 | C24 | C22 | H8 | 61.1° | 62.4° |
| C26 | C25 | C24 | N29 | 13.3° | 25.7° |
| C26 | C25 | C24 | C22 | 105.3° | 144.6° |
| C25 | C26 | C27 | N29 | 6.6° | 16.6° |
| C25 | C26 | C27 | H5 | 119.0° | 118.8° |
| C25 | C26 | C27 | H6 | 118.9° | 118.5° |
| C25 | C26 | C27 | O28 | 172.3° | 163.7° |
| C26 | C25 | C24 | H2 | 132.0° | 93.4° |
| C26 | C25 | H3 | H4 | 121.3° | 123.7° |
| C25 | C26 | H5 | H6 | 123.0° | 122.6° |
| N29 | C24 | C22 | H2 | 122.2° | 121.9° |
| C24 | N29 | C27 | H1 | 180.0° | 180.0° |
| C24 | N29 | C27 | C26 | 2.2° | 0.2° |
| N29 | C24 | C22 | O23 | 56.7° | 66.5° |
| C24 | N29 | C27 | O28 | 179.0° | 179.5° |
| N29 | C24 | C25 | H3 | 132.9° | 92.7° |
| N29 | C24 | C25 | H4 | 106.2° | 143.5° |
| N29 | C24 | C22 | H7 | 62.8° | 173.6° |
| N29 | C24 | C22 | H8 | 176.2° | 53.6° |
| C22 | C24 | N29 | C27 | 110.9° | 136.0° |
| C24 | C22 | O23 | H7 | 119.5° | 119.9° |
| C24 | C22 | O23 | H8 | 119.5° | 120.1° |
| C24 | C22 | O23 | C21 | 122.8° | 179.9° |
| C22 | C24 | N29 | H1 | 69.1° | 44.0° |
| C22 | C24 | C25 | H3 | 14.3° | 26.2° |
| C22 | C24 | C25 | H4 | 135.2° | 97.5° |
| C24 | C22 | H7 | H8 | 121.4° | 120.0° |
| C34 | C35 | C36 | H15 | 180.0° | 179.6° |
| C35 | C34 | C33 | H16 | 180.0° | 179.7° |
| C34 | C35 | C36 | C37 | 0.2° | 0.1° |
| C35 | C34 | C33 | C38 | 0.7° | 0.6° |
| C34 | C35 | C36 | H14 | 179.8° | 180.0° |
| C35 | C34 | C33 | H17 | 179.2° | 180.0° |
| C36 | C35 | C34 | C33 | 0.4° | 0.4° |
| C35 | C36 | C37 | H14 | 180.0° | 179.9° |
| C35 | C36 | C37 | C38 | 0.3° | 0.1° |
| C35 | C36 | C37 | H13 | 179.6° | 180.0° |
| C36 | C35 | C34 | H16 | 179.6° | 180.0° |
| C34 | C33 | C38 | H17 | 180.0° | 179.4° |
| C34 | C33 | C38 | C37 | 0.9° | 0.6° |
| C34 | C33 | C38 | C32 | 180.0° | 179.7° |
| C33 | C34 | C35 | H15 | 179.6° | 180.0° |
| N29 | C27 | C26 | O28 | 178.9° | 179.7° |
| C27 | N29 | C24 | H2 | 127.6° | 102.1° |
| N29 | C27 | C26 | H5 | 112.4° | 102.2° |
| N29 | C27 | C26 | H6 | 125.5° | 135.1° |
| C26 | C27 | N29 | H1 | 177.9° | 179.8° |
| C27 | C26 | C25 | H3 | 131.6° | 93.1° |
| C27 | C26 | C25 | H4 | 107.5° | 143.1° |
| C27 | C26 | H5 | H6 | 123.1° | 122.5° |
| C22 | O23 | C21 | O22 | 12.9° | 0.0° |
| C22 | O23 | C21 | N20 | 165.4° | 180.0° |
| O23 | C22 | C24 | H2 | 178.9° | 55.4° |
| O23 | C22 | H7 | H8 | 121.4° | 120.0° |
| C36 | C37 | C38 | C33 | 0.6° | 0.3° |
| C36 | C37 | C38 | H13 | 180.0° | 179.9° |
| C36 | C37 | C38 | C32 | 179.8° | 179.9° |
| C37 | C36 | C35 | H15 | 179.8° | 179.7° |
| O28 | C27 | N29 | H1 | 1.0° | 0.5° |
| O28 | C27 | C26 | H5 | 68.7° | 77.5° |
| O28 | C27 | C26 | H6 | 53.4° | 45.2° |
| C33 | C38 | C37 | C32 | 179.1° | 179.8° |
| C33 | C38 | C32 | C19 | 63.5° | 90.3° |
| C33 | C38 | C32 | H11 | 56.8° | 149.7° |
| C33 | C38 | C32 | H12 | 176.2° | 29.7° |
| C33 | C38 | C37 | H13 | 179.3° | 179.8° |
| C38 | C33 | C34 | H16 | 179.3° | 179.7° |
| O22 | C21 | O23 | N20 | 178.3° | 179.9° |
| O22 | C21 | N20 | C19 | 3.4° | 0.0° |
| O22 | C21 | N20 | H9 | 176.6° | 180.0° |
| O23 | C21 | N20 | C19 | 174.8° | 180.0° |
| C21 | O23 | C22 | H7 | 117.7° | 60.0° |
| C21 | O23 | C22 | H8 | 3.2° | 60.0° |
| O23 | C21 | N20 | H9 | 5.2° | 0.1° |
| C37 | C38 | C32 | C19 | 117.4° | 90.0° |
| C37 | C38 | C32 | H11 | 122.3° | 30.0° |
| C37 | C38 | C32 | H12 | 2.9° | 150.0° |
| C38 | C37 | C36 | H14 | 179.6° | 180.0° |
| C37 | C38 | C33 | H17 | 179.1° | 180.0° |
| C21 | N20 | C19 | H9 | 180.0° | 180.0° |
| C21 | N20 | C19 | C32 | 124.3° | 85.0° |
| C21 | N20 | C19 | C17 | 110.3° | 154.9° |
| C21 | N20 | C19 | H10 | 7.3° | 35.0° |
| C38 | C32 | C19 | N20 | 59.4° | 65.0° |
| C38 | C32 | C19 | H11 | 120.3° | 120.0° |
| C38 | C32 | C19 | H12 | 120.3° | 120.0° |
| C38 | C32 | C19 | C17 | 178.1° | 175.0° |
| C38 | C32 | C19 | H10 | 58.2° | 55.1° |
| C38 | C32 | H11 | H12 | 119.1° | 120.0° |
| C32 | C38 | C37 | H13 | 0.2° | 0.0° |
| C32 | C38 | C33 | H17 | 0.0° | 0.2° |
| N20 | C19 | C32 | C17 | 122.5° | 120.1° |
| N20 | C19 | C32 | H10 | 117.6° | 120.0° |
| N20 | C19 | C17 | H10 | 118.2° | 120.0° |
| N20 | C19 | C17 | C16 | 166.0° | 175.0° |
| N20 | C19 | C17 | O18 | 72.4° | 65.0° |
| N20 | C19 | C32 | H11 | 179.7° | 55.0° |
| N20 | C19 | C32 | H12 | 60.9° | 175.0° |
| N20 | C19 | C17 | H18 | 46.6° | 55.0° |
| O9 | S8 | O10 | N11 | 116.8° | 123.0° |
| O9 | S8 | O10 | C5 | 122.0° | 122.9° |
| O9 | S8 | N11 | C5 | 117.0° | 113.5° |
| O9 | S8 | N11 | C12 | 68.1° | 17.7° |
| O9 | S8 | N11 | C16 | 161.0° | 162.3° |
| O9 | S8 | C5 | C4 | 26.3° | 162.6° |
| O9 | S8 | C5 | C6 | 155.7° | 17.7° |
| C32 | C19 | C17 | H10 | 119.9° | 119.9° |
| C32 | C19 | C17 | C16 | 72.1° | 65.0° |
| C32 | C19 | C17 | O18 | 49.5° | 55.0° |
| C32 | C19 | N20 | H9 | 55.7° | 95.0° |
| C19 | C32 | H11 | H12 | 119.2° | 120.0° |
| C32 | C19 | C17 | H18 | 168.5° | 175.0° |
| C19 | C17 | C16 | N11 | 66.9° | 175.0° |
| C19 | C17 | C16 | O18 | 122.6° | 119.9° |
| C19 | C17 | C16 | H18 | 119.4° | 120.1° |
| C19 | C17 | O18 | H18 | 118.2° | 120.0° |
| C17 | C19 | N20 | H9 | 69.6° | 25.0° |
| C17 | C19 | C32 | H11 | 57.8° | 65.0° |
| C17 | C19 | C32 | H12 | 61.6° | 54.9° |
| C19 | C17 | O18 | H19 | 180.0° | 60.0° |
| C19 | C17 | C16 | H20 | 173.2° | 55.0° |
| C19 | C17 | C16 | H21 | 53.0° | 65.0° |
| O10 | S8 | N11 | C5 | 120.6° | 113.5° |
| O10 | S8 | N11 | C12 | 169.5° | 150.6° |
| O10 | S8 | N11 | C16 | 38.6° | 29.3° |
| O10 | S8 | C5 | C4 | 152.0° | 29.6° |
| O10 | S8 | C5 | C6 | 30.0° | 150.6° |
| S8 | N11 | C12 | C16 | 132.2° | 180.0° |
| S8 | N11 | C16 | C17 | 119.2° | 95.0° |
| N11 | S8 | C5 | C4 | 89.3° | 83.9° |
| N11 | S8 | C5 | C6 | 88.7° | 95.8° |
| S8 | N11 | C12 | C13 | 146.0° | 113.2° |
| S8 | N11 | C16 | H20 | 120.9° | 145.0° |
| S8 | N11 | C16 | H21 | 0.7° | 25.1° |
| S8 | N11 | C12 | H22 | 25.6° | 6.8° |
| S8 | N11 | C12 | H23 | 93.7° | 126.8° |
| C5 | S8 | N11 | C12 | 48.9° | 95.8° |
| C5 | S8 | N11 | C16 | 82.0° | 84.2° |
| S8 | C5 | C4 | C6 | 178.0° | 179.7° |
| S8 | C5 | C4 | C3 | 177.4° | 180.0° |
| S8 | C5 | C6 | C7 | 177.1° | 180.0° |
| S8 | C5 | C6 | H33 | 3.0° | 0.1° |
| S8 | C5 | C4 | H35 | 2.6° | 0.0° |
| C14 | C13 | C12 | N11 | 62.0° | 64.4° |
| C14 | C13 | C12 | C15 | 123.5° | 120.0° |
| C14 | C13 | C12 | H24 | 119.8° | 120.0° |
| C14 | C13 | C15 | H24 | 117.4° | 120.0° |
| C14 | C13 | C15 | C18 | 63.7° | 65.0° |
| C14 | C13 | C12 | H22 | 58.3° | 55.6° |
| C14 | C13 | C12 | H23 | 177.6° | 175.6° |
| C13 | C14 | H25 | H26 | 120.0° | 120.0° |
| C13 | C14 | H25 | H27 | 120.0° | 120.0° |
| C13 | C14 | H26 | H27 | 120.0° | 120.0° |
| C14 | C13 | C15 | H28 | 175.7° | 55.0° |
| C14 | C13 | C15 | H29 | 56.9° | 175.0° |
| C12 | N11 | C16 | C17 | 109.1° | 85.0° |
| N11 | C12 | C13 | H22 | 120.3° | 120.0° |
| N11 | C12 | C13 | H23 | 120.4° | 120.0° |
| N11 | C12 | C13 | C15 | 174.5° | 175.6° |
| C12 | N11 | C16 | H20 | 10.8° | 35.1° |
| C12 | N11 | C16 | H21 | 131.0° | 155.0° |
| N11 | C12 | H22 | H23 | 118.9° | 119.9° |
| N11 | C12 | C13 | H24 | 57.8° | 55.6° |
| N11 | C16 | C17 | H20 | 119.9° | 120.0° |
| N11 | C16 | C17 | H21 | 119.9° | 120.0° |
| N11 | C16 | C17 | O18 | 170.5° | 65.0° |
| C16 | N11 | C12 | C13 | 81.8° | 66.8° |
| N11 | C16 | C17 | H18 | 52.5° | 55.0° |
| N11 | C16 | H20 | H21 | 120.3° | 119.9° |
| C16 | N11 | C12 | H22 | 157.8° | 173.1° |
| C16 | N11 | C12 | H23 | 38.5° | 53.2° |
| C16 | C17 | O18 | H18 | 117.1° | 120.0° |
| C16 | C17 | C19 | H10 | 47.8° | 55.0° |
| C16 | C17 | O18 | H19 | 55.3° | 60.0° |
| C17 | C16 | H20 | H21 | 120.3° | 120.0° |
| O18 | C17 | C19 | H10 | 169.4° | 174.9° |
| O18 | C17 | C16 | H20 | 50.6° | 174.9° |
| O18 | C17 | C16 | H21 | 69.6° | 55.0° |
| C5 | C4 | C3 | H35 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 1.1° | 0.3° |
| C5 | C4 | C3 | S1 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C4 | C5 | C6 | H33 | 178.9° | 179.8° |
| C6 | C5 | C4 | C3 | 0.6° | 0.3° |
| C5 | C6 | C7 | H33 | 180.0° | 179.9° |
| C5 | C6 | C7 | C2 | 0.8° | 0.0° |
| C5 | C6 | C7 | H34 | 179.2° | 180.0° |
| C6 | C5 | C4 | H35 | 179.4° | 179.7° |
| C4 | C3 | S1 | C2 | 179.9° | 179.9° |
| C4 | C3 | S1 | C1 | 179.9° | 179.9° |
| C4 | C3 | C2 | C7 | 0.4° | 0.2° |
| C4 | C3 | C2 | N1 | 179.8° | 180.0° |
| C12 | C13 | C15 | H24 | 116.6° | 120.0° |
| C12 | C13 | C15 | C18 | 62.3° | 175.0° |
| C13 | C12 | H22 | H23 | 118.9° | 120.1° |
| C12 | C13 | C14 | H25 | 180.0° | 173.6° |
| C12 | C13 | C14 | H26 | 60.0° | 66.4° |
| C12 | C13 | C14 | H27 | 60.0° | 53.6° |
| C12 | C13 | C15 | H28 | 58.3° | 65.0° |
| C12 | C13 | C15 | H29 | 177.1° | 55.0° |
| C13 | C15 | C18 | H28 | 120.6° | 120.0° |
| C13 | C15 | C18 | H29 | 120.6° | 120.0° |
| C15 | C13 | C12 | H22 | 65.2° | 64.4° |
| C15 | C13 | C12 | H23 | 54.1° | 55.6° |
| C15 | C13 | C14 | H25 | 57.1° | 53.6° |
| C15 | C13 | C14 | H26 | 177.1° | 173.7° |
| C15 | C13 | C14 | H27 | 62.9° | 66.4° |
| C13 | C15 | H28 | H29 | 118.1° | 120.0° |
| C13 | C15 | C18 | H30 | 180.0° | 60.0° |
| C13 | C15 | C18 | H31 | 60.0° | 180.0° |
| C13 | C15 | C18 | H32 | 60.0° | 60.0° |
| C6 | C7 | C2 | C3 | 0.0° | 0.2° |
| C6 | C7 | C2 | H34 | 180.0° | 180.0° |
| C6 | C7 | C2 | N1 | 179.6° | 179.9° |
| C18 | C15 | C13 | H24 | 178.9° | 55.0° |
| C18 | C15 | H28 | H29 | 118.1° | 120.0° |
| C15 | C18 | H30 | H31 | 120.0° | 120.0° |
| C15 | C18 | H30 | H32 | 120.0° | 119.9° |
| C15 | C18 | H31 | H32 | 120.0° | 120.0° |
| S1 | C3 | C2 | C7 | 179.7° | 179.7° |
| S1 | C3 | C2 | N1 | 0.1° | 0.0° |
| C3 | S1 | C1 | N1 | 0.0° | 0.0° |
| S1 | C3 | C4 | H35 | 0.0° | 0.1° |
| C3 | S1 | C1 | H36 | 180.0° | 180.0° |
| C2 | C3 | S1 | C1 | 0.0° | 0.0° |
| C3 | C2 | C7 | N1 | 179.7° | 179.7° |
| C3 | C2 | N1 | C1 | 0.1° | 0.0° |
| C3 | C2 | C7 | H34 | 180.0° | 179.7° |
| C2 | C3 | C4 | H35 | 179.8° | 180.0° |
| S1 | C1 | N1 | C2 | 0.1° | 0.0° |
| S1 | C1 | N1 | H36 | 180.0° | 180.0° |
| C7 | C2 | N1 | C1 | 179.6° | 179.7° |
| C2 | C7 | C6 | H33 | 179.1° | 179.9° |
| N1 | C2 | C7 | H34 | 0.4° | 0.1° |
| C2 | N1 | C1 | H36 | 179.9° | 180.0° |
| H1 | N29 | C24 | H2 | 52.5° | 77.9° |
| H2 | C24 | C25 | H3 | 108.5° | 148.3° |
| H2 | C24 | C25 | H4 | 12.4° | 24.5° |
| H2 | C24 | C22 | H7 | 59.4° | 64.6° |
| H2 | C24 | C22 | H8 | 61.5° | 175.5° |
| H3 | C25 | C26 | H5 | 12.6° | 147.9° |
| H3 | C25 | C26 | H6 | 109.4° | 25.2° |
| H4 | C25 | C26 | H5 | 133.6° | 24.2° |
| H4 | C25 | C26 | H6 | 11.5° | 98.5° |
| H9 | N20 | C19 | H10 | 172.7° | 145.0° |
| H10 | C19 | C32 | H11 | 62.1° | 175.1° |
| H10 | C19 | C32 | H12 | 178.5° | 65.0° |
| H10 | C19 | C17 | H18 | 71.6° | 65.1° |
| H13 | C37 | C36 | H14 | 0.4° | 0.1° |
| H14 | C36 | C35 | H15 | 0.2° | 0.4° |
| H15 | C35 | C34 | H16 | 0.4° | 0.4° |
| H16 | C34 | C33 | H17 | 0.7° | 0.3° |
| H18 | C17 | O18 | H19 | 61.8° | 180.0° |
| H18 | C17 | C16 | H20 | 67.4° | 65.1° |
| H18 | C17 | C16 | H21 | 172.4° | 175.0° |
| H22 | C12 | C13 | H24 | 178.1° | 175.6° |
| H23 | C12 | C13 | H24 | 62.6° | 64.4° |
| H24 | C13 | C14 | H25 | 60.3° | 66.3° |
| H24 | C13 | C14 | H26 | 59.7° | 53.7° |
| H24 | C13 | C14 | H27 | 179.7° | 173.6° |
| H24 | C13 | C15 | H28 | 58.3° | 175.0° |
| H24 | C13 | C15 | H29 | 60.5° | 65.0° |
| H25 | C14 | H26 | H27 | 120.0° | 120.0° |
| H28 | C15 | C18 | H30 | 59.4° | 60.0° |
| H28 | C15 | C18 | H31 | 179.4° | 59.9° |
| H28 | C15 | C18 | H32 | 60.6° | 180.0° |
| H29 | C15 | C18 | H30 | 59.4° | NaN° |
| H29 | C15 | C18 | H31 | 60.6° | 60.0° |
| H29 | C15 | C18 | H32 | 179.4° | 60.1° |
| H30 | C18 | H31 | H32 | 120.0° | 120.0° |
| H33 | C6 | C7 | H34 | 0.9° | 0.1° |
