0JV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C45 | O44 | sing | 1.45Å | 1.45Å | |
| O44 | C42 | sing | 1.35Å | 1.36Å | |
| C35 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| O43 | C42 | doub | 1.22Å | 1.24Å | |
| C42 | N41 | sing | 1.35Å | 1.35Å | |
| O39 | C40 | sing | 1.43Å | 1.42Å | |
| O39 | C2 | sing | 1.36Å | 1.35Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | C32 | sing | 1.51Å | 1.54Å | |
| C2 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| O9 | S8 | doub | 1.42Å | 1.48Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| N41 | C29 | sing | 1.46Å | 1.45Å | |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.75Å | |
| C32 | C19 | sing | 1.53Å | 1.53Å | |
| S8 | O10 | doub | 1.42Å | 1.48Å | |
| S8 | N11 | sing | 1.66Å | 1.65Å | |
| C29 | C28 | sing | 1.54Å | 1.52Å | |
| C29 | C30 | sing | 1.56Å | 1.53Å | |
| C19 | N20 | sing | 1.47Å | 1.46Å | |
| C19 | C17 | sing | 1.53Å | 1.53Å | |
| C28 | O27 | sing | 1.44Å | 1.43Å | |
| N11 | C16 | sing | 1.47Å | 1.45Å | |
| N11 | C12 | sing | 1.47Å | 1.45Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C31 | C30 | sing | 1.55Å | 1.52Å | |
| C31 | C24 | sing | 1.55Å | 1.53Å | |
| O22 | C21 | doub | 1.21Å | 1.24Å | |
| N20 | C21 | sing | 1.35Å | 1.33Å | |
| C30 | C26 | sing | 1.55Å | 1.51Å | |
| C21 | O23 | sing | 1.35Å | 1.37Å | |
| C17 | O18 | sing | 1.43Å | 1.43Å | |
| O23 | C24 | sing | 1.45Å | 1.46Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| O27 | C26 | sing | 1.44Å | 1.42Å | |
| C24 | C25 | sing | 1.54Å | 1.54Å | |
| C26 | C25 | sing | 1.54Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C15 | sing | 1.53Å | 1.54Å | |
| 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 | |
| C24 | 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 | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| N41 | H33 | sing | 0.97Å | 1.00Å | |
| C45 | H34 | sing | 1.09Å | 1.10Å | |
| C45 | H35 | sing | 1.09Å | 1.10Å | |
| C45 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C32 | H38 | sing | 1.09Å | 1.10Å | |
| C33 | H39 | sing | 1.08Å | 1.08Å | |
| C34 | H40 | sing | 1.08Å | 1.08Å | |
| C35 | H41 | sing | 1.08Å | 1.08Å | |
| C36 | H42 | sing | 1.08Å | 1.08Å | |
| C37 | H43 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C45 | O44 | C42 | 109.1° | 117.0° |
| O44 | C45 | H34 | 109.5° | 109.4° |
| O44 | C45 | H35 | 109.5° | 109.5° |
| O44 | C45 | H36 | 109.5° | 109.5° |
| O44 | C42 | O43 | 113.3° | 120.0° |
| O44 | C42 | N41 | 121.8° | 120.0° |
| C36 | C35 | C34 | 120.8° | 120.0° |
| C35 | C36 | C37 | 120.5° | 120.0° |
| C36 | C35 | H41 | 119.6° | 120.0° |
| C35 | C36 | H42 | 119.8° | 120.0° |
| C35 | C34 | C33 | 118.7° | 120.0° |
| C35 | C34 | H40 | 120.7° | 120.0° |
| C34 | C35 | H41 | 119.6° | 120.0° |
| C36 | C37 | C38 | 119.1° | 120.0° |
| C37 | C36 | H42 | 119.8° | 120.0° |
| C36 | C37 | H43 | 120.5° | 120.0° |
| C34 | C33 | C38 | 121.3° | 120.0° |
| C34 | C33 | H39 | 119.3° | 120.0° |
| C33 | C34 | H40 | 120.6° | 120.0° |
| C37 | C38 | C33 | 119.7° | 120.0° |
| C37 | C38 | C32 | 122.1° | 120.0° |
| C38 | C37 | H43 | 120.4° | 120.0° |
| O43 | C42 | N41 | 124.9° | 120.0° |
| C42 | N41 | C29 | 123.6° | 120.0° |
| C42 | N41 | H33 | 118.2° | 120.0° |
| C40 | O39 | C2 | 111.3° | 117.0° |
| O39 | C40 | H1 | 109.5° | 109.5° |
| O39 | C40 | H2 | 109.5° | 109.5° |
| O39 | C40 | H3 | 109.5° | 109.5° |
| O39 | C2 | C3 | 114.4° | 120.0° |
| O39 | C2 | C7 | 126.0° | 120.1° |
| C2 | C3 | C4 | 121.6° | 120.0° |
| C3 | C2 | C7 | 119.7° | 119.9° |
| C2 | C3 | H4 | 119.2° | 120.1° |
| C3 | C4 | C5 | 120.1° | 120.0° |
| C4 | C3 | H4 | 119.2° | 120.0° |
| C3 | C4 | H5 | 120.0° | 120.0° |
| C33 | C38 | C32 | 118.3° | 120.0° |
| C38 | C33 | H39 | 119.4° | 120.0° |
| C38 | C32 | C19 | 107.9° | 109.5° |
| C38 | C32 | H37 | 109.8° | 109.4° |
| C38 | C32 | H38 | 109.9° | 109.4° |
| C2 | C7 | C6 | 116.6° | 119.9° |
| C2 | C7 | H7 | 121.7° | 120.0° |
| O9 | S8 | C5 | 107.7° | 106.4° |
| O9 | S8 | O10 | 117.2° | 123.2° |
| O9 | S8 | N11 | 106.6° | 106.4° |
| C4 | C5 | C6 | 117.0° | 120.1° |
| C4 | C5 | S8 | 119.7° | 119.9° |
| C5 | C4 | H5 | 120.0° | 120.0° |
| N41 | C29 | C28 | 117.2° | 110.5° |
| N41 | C29 | C30 | 110.8° | 111.0° |
| N41 | C29 | H29 | 109.7° | 110.6° |
| C29 | N41 | H33 | 118.2° | 120.0° |
| C7 | C6 | C5 | 125.1° | 120.1° |
| C7 | C6 | H6 | 117.5° | 119.9° |
| C6 | C7 | H7 | 121.7° | 120.0° |
| C6 | C5 | S8 | 123.3° | 120.0° |
| C5 | C6 | H6 | 117.5° | 120.0° |
| C5 | S8 | O10 | 111.2° | 106.4° |
| C5 | S8 | N11 | 107.6° | 107.2° |
| C32 | C19 | N20 | 111.5° | 109.5° |
| C32 | C19 | C17 | 112.5° | 109.5° |
| C32 | C19 | H21 | 107.1° | 109.5° |
| C19 | C32 | H37 | 109.9° | 109.5° |
| C19 | C32 | H38 | 109.9° | 109.5° |
| O10 | S8 | N11 | 106.1° | 106.4° |
| S8 | N11 | C16 | 117.9° | 120.0° |
| S8 | N11 | C12 | 114.9° | 120.0° |
| C28 | C29 | C30 | 101.4° | 104.3° |
| C29 | C28 | O27 | 104.8° | 104.8° |
| C29 | C28 | H27 | 110.6° | 110.4° |
| C29 | C28 | H28 | 110.6° | 110.5° |
| C28 | C29 | H29 | 108.7° | 110.5° |
| C29 | C30 | C31 | 117.9° | 108.6° |
| C29 | C30 | C26 | 102.1° | 103.4° |
| C30 | C29 | H29 | 108.6° | 109.8° |
| C29 | C30 | H30 | 109.9° | 112.7° |
| N20 | C19 | C17 | 110.2° | 109.5° |
| C19 | N20 | C21 | 128.3° | 120.0° |
| N20 | C19 | H21 | 108.1° | 109.5° |
| C19 | N20 | H22 | 115.9° | 120.0° |
| C19 | C17 | C16 | 115.5° | 109.5° |
| C19 | C17 | O18 | 107.8° | 109.5° |
| C19 | C17 | H19 | 106.0° | 109.5° |
| C17 | C19 | H21 | 107.2° | 109.5° |
| C28 | O27 | C26 | 111.2° | 105.7° |
| O27 | C28 | H27 | 110.6° | 110.3° |
| O27 | C28 | H28 | 110.6° | 110.4° |
| C16 | N11 | C12 | 116.3° | 120.0° |
| N11 | C16 | C17 | 111.6° | 109.5° |
| N11 | C16 | H17 | 108.9° | 109.5° |
| N11 | C16 | H18 | 108.9° | 109.4° |
| N11 | C12 | C13 | 112.8° | 109.5° |
| N11 | C12 | H8 | 108.6° | 109.5° |
| N11 | C12 | H9 | 108.6° | 109.5° |
| C16 | C17 | O18 | 113.9° | 109.4° |
| C17 | C16 | H17 | 108.9° | 109.5° |
| C17 | C16 | H18 | 108.9° | 109.5° |
| C16 | C17 | H19 | 105.9° | 109.5° |
| C30 | C31 | C24 | 109.6° | 102.9° |
| C31 | C30 | C26 | 106.3° | 104.2° |
| C31 | C30 | H30 | 110.0° | 113.1° |
| C30 | C31 | H31 | 109.4° | 110.7° |
| C30 | C31 | H32 | 109.5° | 110.7° |
| C31 | C24 | O23 | 108.6° | 110.5° |
| C31 | C24 | C25 | 101.5° | 104.2° |
| C31 | C24 | H23 | 113.5° | 110.6° |
| C24 | C31 | H31 | 109.5° | 109.9° |
| C24 | C31 | H32 | 109.5° | 111.5° |
| O22 | C21 | N20 | 121.8° | 120.0° |
| O22 | C21 | O23 | 124.4° | 120.0° |
| N20 | C21 | O23 | 113.8° | 119.9° |
| C21 | N20 | H22 | 115.9° | 120.0° |
| C30 | C26 | O27 | 105.9° | 105.7° |
| C30 | C26 | C25 | 103.9° | 106.4° |
| C30 | C26 | H26 | 111.1° | 112.0° |
| C26 | C30 | H30 | 110.2° | 114.1° |
| C21 | O23 | C24 | 112.0° | 117.0° |
| O18 | C17 | H19 | 107.1° | 109.5° |
| C17 | O18 | H20 | 109.5° | 114.1° |
| O23 | C24 | C25 | 103.9° | 110.5° |
| O23 | C24 | H23 | 114.7° | 110.4° |
| C12 | C13 | C14 | 112.6° | 109.5° |
| C12 | C13 | C15 | 108.1° | 109.5° |
| C13 | C12 | H8 | 108.6° | 109.5° |
| C13 | C12 | H9 | 108.6° | 109.5° |
| C12 | C13 | H10 | 109.1° | 109.5° |
| O27 | C26 | C25 | 112.1° | 108.7° |
| O27 | C26 | H26 | 112.5° | 111.9° |
| C24 | C25 | C26 | 106.9° | 106.8° |
| C25 | C24 | H23 | 113.4° | 110.5° |
| C24 | C25 | H24 | 110.1° | 110.0° |
| C24 | C25 | H25 | 110.1° | 110.0° |
| C26 | C25 | H24 | 110.1° | 110.0° |
| C26 | C25 | H25 | 110.1° | 110.1° |
| C25 | C26 | H26 | 110.9° | 111.9° |
| C14 | C13 | C15 | 109.1° | 109.5° |
| C14 | C13 | H10 | 109.0° | 109.4° |
| C13 | C14 | H11 | 109.5° | 109.5° |
| C13 | C14 | H12 | 109.5° | 109.5° |
| C13 | C14 | H13 | 109.5° | 109.5° |
| C15 | C13 | H10 | 109.0° | 109.4° |
| C13 | C15 | H14 | 109.5° | 109.4° |
| C13 | C15 | H15 | 109.5° | 109.5° |
| C13 | C15 | H16 | 109.5° | 109.5° |
| H1 | C40 | H2 | 109.5° | 109.4° |
| 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° | 109.5° |
| H12 | C14 | H13 | 109.4° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H14 | C15 | H16 | 109.5° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H17 | C16 | H18 | 109.5° | 109.4° |
| H24 | C25 | H25 | 109.5° | 109.9° |
| H27 | C28 | H28 | 109.5° | 110.4° |
| H31 | C31 | H32 | 109.4° | 110.8° |
| H34 | C45 | H35 | 109.5° | 109.5° |
| H34 | C45 | H36 | 109.5° | 109.5° |
| H35 | C45 | H36 | 109.4° | 109.5° |
| H37 | C32 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C45 | O44 | C42 | O43 | 7.8° | 0.0° |
| C45 | O44 | C42 | N41 | 175.0° | 180.0° |
| O44 | C45 | H34 | H35 | 120.0° | 120.0° |
| O44 | C45 | H34 | H36 | 120.0° | 120.0° |
| O44 | C45 | H35 | H36 | 120.0° | 120.0° |
| O44 | C42 | O43 | N41 | 177.1° | 179.9° |
| O44 | C42 | N41 | C29 | 174.1° | 180.0° |
| O44 | C42 | N41 | H33 | 5.9° | 0.1° |
| C42 | O44 | C45 | H34 | 180.0° | 60.0° |
| C42 | O44 | C45 | H35 | 60.0° | 60.0° |
| C42 | O44 | C45 | H36 | 60.0° | 180.0° |
| C36 | C35 | C34 | H41 | 180.0° | 180.0° |
| C35 | C36 | C37 | H42 | 180.0° | 179.9° |
| C36 | C35 | C34 | C33 | 0.0° | 0.0° |
| C35 | C36 | C37 | C38 | 0.1° | 0.0° |
| C36 | C35 | C34 | H40 | 179.9° | 180.0° |
| C35 | C36 | C37 | H43 | 179.9° | 180.0° |
| C34 | C35 | C36 | C37 | 0.1° | 0.0° |
| C35 | C34 | C33 | H40 | 180.0° | 180.0° |
| C35 | C34 | C33 | C38 | 0.0° | 0.0° |
| C35 | C34 | C33 | H39 | 180.0° | 179.7° |
| C34 | C35 | C36 | H42 | 180.0° | 179.9° |
| C36 | C37 | C38 | H43 | 180.0° | 180.0° |
| C36 | C37 | C38 | C33 | 0.1° | 0.0° |
| C36 | C37 | C38 | C32 | 179.9° | 179.7° |
| C37 | C36 | C35 | H41 | 179.9° | 180.0° |
| C34 | C33 | C38 | C37 | 0.0° | 0.0° |
| C34 | C33 | C38 | H39 | 180.0° | 179.7° |
| C34 | C33 | C38 | C32 | 180.0° | 179.7° |
| C33 | C34 | C35 | H41 | 180.0° | 180.0° |
| C37 | C38 | C33 | C32 | 180.0° | 179.7° |
| C37 | C38 | C32 | C19 | 80.1° | 90.3° |
| C37 | C38 | C32 | H37 | 39.7° | 149.7° |
| C37 | C38 | C32 | H38 | 160.1° | 29.7° |
| C37 | C38 | C33 | H39 | 180.0° | 179.7° |
| C38 | C37 | C36 | H42 | 179.9° | 179.9° |
| O43 | C42 | N41 | C29 | 9.0° | 0.1° |
| O43 | C42 | N41 | H33 | 171.0° | 180.0° |
| C42 | N41 | C29 | H33 | 180.0° | 179.9° |
| C42 | N41 | C29 | C28 | 66.5° | 154.6° |
| C42 | N41 | C29 | C30 | 177.8° | 90.2° |
| C42 | N41 | C29 | H29 | 58.0° | 32.0° |
| C40 | O39 | C2 | C3 | 176.7° | 0.3° |
| C40 | O39 | C2 | C7 | 3.4° | 180.0° |
| O39 | C40 | H1 | H2 | 120.0° | 120.0° |
| O39 | C40 | H1 | H3 | 120.0° | 120.0° |
| O39 | C40 | H2 | H3 | 120.0° | 120.0° |
| O39 | C2 | C3 | C7 | 179.9° | 179.7° |
| O39 | C2 | C3 | C4 | 180.0° | 180.0° |
| O39 | C2 | C7 | C6 | 180.0° | 179.7° |
| C2 | O39 | C40 | H1 | 180.0° | 60.0° |
| C2 | O39 | C40 | H2 | 60.0° | 60.0° |
| C2 | O39 | C40 | H3 | 60.0° | 180.0° |
| O39 | C2 | C3 | H4 | 0.0° | 0.1° |
| O39 | C2 | C7 | H7 | 0.0° | 0.1° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C3 | C2 | C7 | C6 | 0.1° | 0.6° |
| C2 | C3 | C4 | H5 | 179.9° | 180.0° |
| C3 | C2 | C7 | H7 | 179.9° | 179.8° |
| C4 | C3 | C2 | C7 | 0.1° | 0.3° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | S8 | 180.0° | 180.0° |
| C33 | C38 | C32 | C19 | 99.9° | 90.0° |
| C33 | C38 | C32 | H37 | 140.3° | 30.0° |
| C33 | C38 | C32 | H38 | 19.9° | 150.0° |
| C38 | C33 | C34 | H40 | 180.0° | 180.0° |
| C33 | C38 | C37 | H43 | 179.9° | 180.0° |
| C38 | C32 | C19 | H37 | 119.7° | 120.0° |
| C38 | C32 | C19 | H38 | 119.8° | 120.0° |
| C38 | C32 | C19 | N20 | 57.9° | 65.0° |
| C38 | C32 | C19 | C17 | 177.7° | 175.0° |
| C38 | C32 | C19 | H21 | 60.1° | 55.0° |
| C38 | C32 | H37 | H38 | 120.7° | 119.9° |
| C32 | C38 | C33 | H39 | 0.0° | 0.0° |
| C32 | C38 | C37 | H43 | 0.1° | 0.3° |
| C2 | C7 | C6 | H7 | 180.0° | 179.6° |
| C2 | C7 | C6 | C5 | 0.1° | 0.6° |
| C7 | C2 | C3 | H4 | 179.9° | 179.7° |
| C2 | C7 | C6 | H6 | 179.9° | 179.7° |
| O9 | S8 | C5 | C4 | 34.5° | 150.1° |
| O9 | S8 | C5 | C6 | 145.5° | 29.8° |
| O9 | S8 | C5 | O10 | 129.7° | 133.0° |
| O9 | S8 | C5 | N11 | 114.6° | 113.5° |
| O9 | S8 | O10 | N11 | 118.9° | 123.0° |
| O9 | S8 | N11 | C16 | 27.4° | 29.4° |
| O9 | S8 | N11 | C12 | 170.3° | 150.5° |
| C4 | C5 | C6 | C7 | 0.1° | 0.3° |
| C4 | C5 | C6 | S8 | 179.9° | 180.0° |
| C4 | C5 | S8 | O10 | 164.2° | 17.2° |
| C4 | C5 | S8 | N11 | 80.1° | 96.4° |
| C5 | C4 | C3 | H4 | 179.9° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| N41 | C29 | C28 | C30 | 120.7° | 119.4° |
| N41 | C29 | C28 | H29 | 125.0° | 122.6° |
| N41 | C29 | C30 | H29 | 120.5° | 122.6° |
| N41 | C29 | C28 | O27 | 153.2° | 93.8° |
| N41 | C29 | C30 | C31 | 46.6° | 6.1° |
| N41 | C29 | C30 | C26 | 162.6° | 116.3° |
| N41 | C29 | C28 | H27 | 33.9° | 147.5° |
| N41 | C29 | C28 | H28 | 87.6° | 25.1° |
| N41 | C29 | C30 | H30 | 80.5° | 120.0° |
| C7 | C6 | C5 | H6 | 180.0° | 179.7° |
| C7 | C6 | C5 | S8 | 180.0° | 179.7° |
| C6 | C5 | S8 | O10 | 15.8° | 162.8° |
| C6 | C5 | S8 | N11 | 99.9° | 83.7° |
| C6 | C5 | C4 | H5 | 179.9° | 180.0° |
| C5 | C6 | C7 | H7 | 179.9° | 179.8° |
| C5 | S8 | O10 | N11 | 116.7° | 114.0° |
| C5 | S8 | N11 | C16 | 87.9° | 84.1° |
| C5 | S8 | N11 | C12 | 55.0° | 96.0° |
| S8 | C5 | C4 | H5 | 0.0° | 0.0° |
| S8 | C5 | C6 | H6 | 0.1° | 0.0° |
| C32 | C19 | N20 | C17 | 125.6° | 120.0° |
| C32 | C19 | N20 | H21 | 117.5° | 120.0° |
| C32 | C19 | C17 | H21 | 117.5° | 120.0° |
| C32 | C19 | C17 | C16 | 68.4° | 65.0° |
| C32 | C19 | N20 | C21 | 117.0° | 85.0° |
| C32 | C19 | C17 | O18 | 60.2° | 54.9° |
| C32 | C19 | C17 | H19 | 174.7° | 175.0° |
| C32 | C19 | N20 | H22 | 63.0° | 95.0° |
| C19 | C32 | H37 | H38 | 120.7° | 120.1° |
| O10 | S8 | N11 | C16 | 153.0° | 162.4° |
| O10 | S8 | N11 | C12 | 64.0° | 17.5° |
| S8 | N11 | C16 | C12 | 142.5° | 179.9° |
| S8 | N11 | C16 | C17 | 113.0° | 94.9° |
| S8 | N11 | C12 | C13 | 134.8° | 114.1° |
| S8 | N11 | C12 | H8 | 14.3° | 125.8° |
| S8 | N11 | C12 | H9 | 104.7° | 5.9° |
| S8 | N11 | C16 | H17 | 126.7° | 145.0° |
| S8 | N11 | C16 | H18 | 7.4° | 25.1° |
| C28 | C29 | C30 | H29 | 114.4° | 118.4° |
| C29 | C28 | O27 | H27 | 119.3° | 118.8° |
| C29 | C28 | O27 | H28 | 119.3° | 119.0° |
| C28 | C29 | C30 | C31 | 78.6° | 112.9° |
| C28 | C29 | C30 | C26 | 37.4° | 2.7° |
| C29 | C28 | O27 | C26 | 14.9° | 40.3° |
| C29 | C28 | H27 | H28 | 122.2° | 122.4° |
| C28 | C29 | C30 | H30 | 154.3° | 121.0° |
| C28 | C29 | N41 | H33 | 113.5° | 25.5° |
| C30 | C29 | C28 | O27 | 32.4° | 25.6° |
| C29 | C30 | C31 | C26 | 113.7° | 109.7° |
| C29 | C30 | C31 | H30 | 127.0° | 125.9° |
| C29 | C30 | C31 | C24 | 118.3° | 147.3° |
| C29 | C30 | C26 | H30 | 116.7° | 122.8° |
| C29 | C30 | C26 | O27 | 29.7° | 21.1° |
| C29 | C30 | C26 | C25 | 147.9° | 136.5° |
| C29 | C30 | C26 | H26 | 92.8° | 101.0° |
| C30 | C29 | C28 | H27 | 86.8° | 93.2° |
| C30 | C29 | C28 | H28 | 151.7° | 144.5° |
| C29 | C30 | C31 | H31 | 121.7° | 29.9° |
| C29 | C30 | C31 | H32 | 1.7° | 93.4° |
| C30 | C29 | N41 | H33 | 2.2° | 89.7° |
| N20 | C19 | C17 | H21 | 117.4° | 120.0° |
| N20 | C19 | C17 | C16 | 166.5° | 175.0° |
| C19 | N20 | C21 | O22 | 6.4° | 0.1° |
| C19 | N20 | C21 | H22 | 180.0° | 179.9° |
| C19 | N20 | C21 | O23 | 175.2° | 180.0° |
| N20 | C19 | C17 | O18 | 64.8° | 65.1° |
| N20 | C19 | C17 | H19 | 49.6° | 55.0° |
| N20 | C19 | C32 | H37 | 177.7° | 55.0° |
| N20 | C19 | C32 | H38 | 61.8° | 175.0° |
| C19 | C17 | C16 | N11 | 68.8° | 175.0° |
| C19 | C17 | C16 | O18 | 125.6° | 119.9° |
| C19 | C17 | C16 | H19 | 117.0° | 120.0° |
| C17 | C19 | N20 | C21 | 117.4° | 154.9° |
| C19 | C17 | O18 | H19 | 113.7° | 120.1° |
| C19 | C17 | C16 | H17 | 170.9° | 64.9° |
| C19 | C17 | C16 | H18 | 51.5° | 55.0° |
| C19 | C17 | O18 | H20 | 180.0° | 59.9° |
| C17 | C19 | N20 | H22 | 62.6° | 25.0° |
| C17 | C19 | C32 | H37 | 57.9° | 65.0° |
| C17 | C19 | C32 | H38 | 62.6° | 55.0° |
| C28 | O27 | C26 | C30 | 9.7° | 38.7° |
| C28 | O27 | C26 | C25 | 122.3° | 152.5° |
| C28 | O27 | C26 | H26 | 111.9° | 83.4° |
| O27 | C28 | H27 | H28 | 122.1° | 122.2° |
| O27 | C28 | C29 | H29 | 81.9° | 143.6° |
| N11 | C16 | C17 | H17 | 120.3° | 120.1° |
| N11 | C16 | C17 | H18 | 120.3° | 120.0° |
| N11 | C16 | C17 | O18 | 165.7° | 65.0° |
| C16 | N11 | C12 | C13 | 81.7° | 66.0° |
| C16 | N11 | C12 | H8 | 157.8° | 54.1° |
| C16 | N11 | C12 | H9 | 38.8° | 174.0° |
| N11 | C16 | H17 | H18 | 119.0° | 119.9° |
| N11 | C16 | C17 | H19 | 48.2° | 55.0° |
| C12 | N11 | C16 | C17 | 104.6° | 85.0° |
| N11 | C12 | C13 | H8 | 120.5° | 120.0° |
| N11 | C12 | C13 | H9 | 120.5° | 120.0° |
| N11 | C12 | C13 | C14 | 62.9° | 176.5° |
| N11 | C12 | C13 | C15 | 176.5° | 63.5° |
| N11 | C12 | H8 | H9 | 118.5° | 120.0° |
| N11 | C12 | C13 | H10 | 58.1° | 56.5° |
| C12 | N11 | C16 | H17 | 15.7° | 35.1° |
| C12 | N11 | C16 | H18 | 135.1° | 155.0° |
| C16 | C17 | O18 | H19 | 116.7° | 120.0° |
| C17 | C16 | H17 | H18 | 119.0° | 120.0° |
| C16 | C17 | O18 | H20 | 50.5° | 60.0° |
| C16 | C17 | C19 | H21 | 49.1° | 55.0° |
| C30 | C31 | C24 | H31 | 120.0° | 118.0° |
| C30 | C31 | C24 | H32 | 120.0° | 118.7° |
| C31 | C30 | C26 | H30 | 119.2° | 123.8° |
| C30 | C31 | C24 | O23 | 92.9° | 156.8° |
| C31 | C30 | C26 | O27 | 94.4° | 92.4° |
| C30 | C31 | C24 | C25 | 16.1° | 38.1° |
| C31 | C30 | C26 | C25 | 23.8° | 23.1° |
| C30 | C31 | C24 | H23 | 138.1° | 80.7° |
| C31 | C30 | C26 | H26 | 143.1° | 145.6° |
| C31 | C30 | C29 | H29 | 167.1° | 128.7° |
| C30 | C31 | H31 | H32 | 119.9° | 123.2° |
| C24 | C31 | C30 | C26 | 4.6° | 37.7° |
| C31 | C24 | O23 | C21 | 89.0° | 153.8° |
| C31 | C24 | O23 | C25 | 107.5° | 114.8° |
| C31 | C24 | O23 | H23 | 128.2° | 122.7° |
| C31 | C24 | C25 | H23 | 122.1° | 118.8° |
| C31 | C24 | C25 | C26 | 31.2° | 24.0° |
| C31 | C24 | C25 | H24 | 88.4° | 143.3° |
| C31 | C24 | C25 | H25 | 150.8° | 95.4° |
| C24 | C31 | C30 | H30 | 114.7° | 86.8° |
| C24 | C31 | H31 | H32 | 120.0° | 123.7° |
| O22 | C21 | N20 | O23 | 178.5° | 179.9° |
| O22 | C21 | O23 | C24 | 0.1° | 0.0° |
| O22 | C21 | N20 | H22 | 173.6° | 180.0° |
| N20 | C21 | O23 | C24 | 178.6° | 180.0° |
| C21 | N20 | C19 | H21 | 0.5° | 34.9° |
| C30 | C26 | O27 | C25 | 112.6° | 113.8° |
| C30 | C26 | O27 | H26 | 121.6° | 122.1° |
| C30 | C26 | C25 | C24 | 35.0° | 0.6° |
| C30 | C26 | C25 | H26 | 119.5° | 122.5° |
| C30 | C26 | C25 | H24 | 84.7° | 120.0° |
| C30 | C26 | C25 | H25 | 154.6° | 118.8° |
| C26 | C30 | C29 | H29 | 77.0° | 121.2° |
| C26 | C30 | C31 | H31 | 124.7° | 79.7° |
| C26 | C30 | C31 | H32 | 115.4° | 157.0° |
| C21 | O23 | C24 | C25 | 163.5° | 91.5° |
| O23 | C21 | N20 | H22 | 4.8° | 0.1° |
| C21 | O23 | C24 | H23 | 39.2° | 31.1° |
| O18 | C17 | C16 | H17 | 45.4° | 55.0° |
| O18 | C17 | C16 | H18 | 74.0° | 175.0° |
| O18 | C17 | C19 | H21 | 177.8° | 174.9° |
| O23 | C24 | C25 | H23 | 125.2° | 122.5° |
| O23 | C24 | C25 | C26 | 81.5° | 142.7° |
| O23 | C24 | C25 | H24 | 158.9° | 98.0° |
| O23 | C24 | C25 | H25 | 38.1° | 23.2° |
| O23 | C24 | C31 | H31 | 147.0° | 38.8° |
| O23 | C24 | C31 | H32 | 27.1° | 84.5° |
| C12 | C13 | C14 | C15 | 120.0° | 120.1° |
| C12 | C13 | C14 | H10 | 121.1° | 120.0° |
| C12 | C13 | C15 | H10 | 118.4° | 120.0° |
| C13 | C12 | H8 | H9 | 118.5° | 120.0° |
| C12 | C13 | C14 | H11 | 180.0° | 60.0° |
| C12 | C13 | C14 | H12 | 60.0° | 180.0° |
| C12 | C13 | C14 | H13 | 60.0° | 60.0° |
| C12 | C13 | C15 | H14 | 180.0° | 52.2° |
| C12 | C13 | C15 | H15 | 60.0° | 67.8° |
| C12 | C13 | C15 | H16 | 60.0° | 172.1° |
| O27 | C26 | C25 | C24 | 78.9° | 113.9° |
| O27 | C26 | C25 | H26 | 126.7° | 124.1° |
| O27 | C26 | C25 | H24 | 161.5° | 126.7° |
| O27 | C26 | C25 | H25 | 40.7° | 5.4° |
| C26 | O27 | C28 | H27 | 104.4° | 78.4° |
| C26 | O27 | C28 | H28 | 134.1° | 159.3° |
| O27 | C26 | C30 | H30 | 146.4° | 143.9° |
| C24 | C25 | C26 | H24 | 119.6° | 119.4° |
| C24 | C25 | C26 | H25 | 119.6° | 119.3° |
| C24 | C25 | H24 | H25 | 121.2° | 121.3° |
| C24 | C25 | C26 | H26 | 154.5° | 121.9° |
| C25 | C24 | C31 | H31 | 103.9° | 79.9° |
| C25 | C24 | C31 | H32 | 136.1° | 156.8° |
| C26 | C25 | C24 | H23 | 153.3° | 94.9° |
| C26 | C25 | H24 | H25 | 121.2° | 121.4° |
| C25 | C26 | C30 | H30 | 95.4° | 100.7° |
| C14 | C13 | C15 | H10 | 118.9° | 119.9° |
| C14 | C13 | C12 | H8 | 57.6° | 56.4° |
| C14 | C13 | C12 | H9 | 176.6° | 63.5° |
| C13 | C14 | H11 | H12 | 120.0° | 120.0° |
| C13 | C14 | H11 | H13 | 120.0° | 120.0° |
| C13 | C14 | H12 | H13 | 120.0° | 120.0° |
| C14 | C13 | C15 | H14 | 57.3° | 67.9° |
| C14 | C13 | C15 | H15 | 62.7° | 172.2° |
| C14 | C13 | C15 | H16 | 177.3° | 52.1° |
| C15 | C13 | C12 | H8 | 63.0° | 176.5° |
| C15 | C13 | C12 | H9 | 56.0° | 56.5° |
| C15 | C13 | C14 | H11 | 60.0° | 60.0° |
| C15 | C13 | C14 | H12 | 180.0° | 59.9° |
| C15 | C13 | C14 | H13 | 60.0° | 180.0° |
| C13 | C15 | H14 | H15 | 120.0° | 119.9° |
| C13 | C15 | H14 | H16 | 120.0° | 120.0° |
| C13 | C15 | H15 | H16 | 120.0° | 120.0° |
| H1 | C40 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | C4 | H5 | 0.1° | 0.0° |
| H6 | C6 | C7 | H7 | 0.2° | 0.0° |
| H8 | C12 | C13 | H10 | 178.6° | 63.5° |
| H9 | C12 | C13 | H10 | 62.4° | 176.5° |
| H10 | C13 | C14 | H11 | 58.9° | 180.0° |
| H10 | C13 | C14 | H12 | 61.1° | 60.0° |
| H10 | C13 | C14 | H13 | 178.9° | 60.0° |
| H10 | C13 | C15 | H14 | 61.6° | 172.2° |
| H10 | C13 | C15 | H15 | 178.4° | 52.2° |
| H10 | C13 | C15 | H16 | 58.4° | 67.8° |
| H11 | C14 | H12 | H13 | 120.0° | 120.0° |
| H14 | C15 | H15 | H16 | 120.0° | 120.0° |
| H17 | C16 | C17 | H19 | 72.1° | 175.0° |
| H18 | C16 | C17 | H19 | 168.5° | 65.0° |
| H19 | C17 | O18 | H20 | 66.3° | 179.9° |
| H19 | C17 | C19 | H21 | 67.8° | 65.0° |
| H21 | C19 | N20 | H22 | 179.5° | 145.0° |
| H21 | C19 | C32 | H37 | 59.7° | 175.0° |
| H21 | C19 | C32 | H38 | 179.9° | 65.0° |
| H23 | C24 | C25 | H24 | 33.7° | 24.5° |
| H23 | C24 | C25 | H25 | 87.1° | 145.7° |
| H23 | C24 | C31 | H31 | 18.1° | 161.3° |
| H23 | C24 | C31 | H32 | 101.8° | 38.0° |
| H24 | C25 | C26 | H26 | 34.8° | 2.6° |
| H25 | C25 | C26 | H26 | 86.0° | 118.7° |
| H26 | C26 | C30 | H30 | 23.9° | 21.8° |
| H27 | C28 | C29 | H29 | 158.9° | 24.8° |
| H28 | C28 | C29 | H29 | 37.4° | 97.5° |
| H29 | C29 | C30 | H30 | 40.0° | 2.6° |
| H29 | C29 | N41 | H33 | 122.0° | 148.1° |
| H30 | C30 | C31 | H31 | 5.3° | 155.8° |
| H30 | C30 | C31 | H32 | 125.3° | 32.5° |
| H34 | C45 | H35 | H36 | 120.0° | 120.0° |
| H39 | C33 | C34 | H40 | 0.0° | 0.3° |
| H40 | C34 | C35 | H41 | 0.0° | 0.0° |
| H41 | C35 | C36 | H42 | 0.0° | 0.1° |
| H42 | C36 | C37 | H43 | 0.1° | 0.1° |
