52W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C27 | sing | 1.43Å | 1.49Å | |
| O01 | C02 | sing | 1.42Å | 1.42Å | |
| C27 | O28 | sing | 1.45Å | 1.49Å | |
| C27 | C31 | sing | 1.54Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| O28 | C29 | sing | 1.44Å | 1.44Å | |
| C31 | C1 | sing | 1.54Å | 1.49Å | |
| C31 | C24 | sing | 1.51Å | 1.52Å | |
| C01 | C24 | sing | 1.53Å | 1.53Å | |
| O1 | C1 | sing | 1.43Å | 1.39Å | |
| C1 | C29 | sing | 1.54Å | 1.52Å | |
| C24 | O23 | sing | 1.45Å | 1.42Å | |
| O23 | C21 | sing | 1.35Å | 1.40Å | |
| C21 | O22 | doub | 1.22Å | 1.22Å | |
| C21 | N20 | sing | 1.35Å | 1.47Å | |
| N20 | C19 | sing | 1.47Å | 1.54Å | |
| C05 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| C09 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C17 | sing | 1.53Å | 1.61Å | |
| C19 | C32 | sing | 1.53Å | 1.62Å | |
| C07 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C32 | sing | 1.51Å | 1.52Å | |
| C15 | C13 | sing | 1.53Å | 1.51Å | |
| O18 | C17 | sing | 1.43Å | 1.37Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C16 | N11 | sing | 1.47Å | 1.50Å | |
| N11 | C12 | sing | 1.46Å | 1.51Å | |
| N11 | S8 | sing | 1.66Å | 1.68Å | |
| O10 | S8 | doub | 1.42Å | 1.43Å | |
| O9 | S8 | doub | 1.42Å | 1.44Å | |
| S8 | C5 | sing | 1.76Å | 1.78Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | O03 | sing | 1.36Å | 1.38Å | |
| O03 | C04 | sing | 1.43Å | 1.41Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C31 | H10 | sing | 1.09Å | 1.10Å | |
| C32 | H11 | sing | 1.09Å | 1.10Å | |
| C32 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| O1 | H14 | sing | 0.97Å | 0.95Å | |
| C29 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C02 | H18 | sing | 1.09Å | 1.10Å | |
| C02 | H19 | sing | 1.09Å | 1.10Å | |
| C01 | H20 | sing | 1.09Å | 1.10Å | |
| C01 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| N20 | H23 | sing | 0.97Å | 1.00Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C06 | H25 | sing | 1.08Å | 1.08Å | |
| C05 | H26 | sing | 1.08Å | 1.08Å | |
| C09 | H27 | sing | 1.08Å | 1.08Å | |
| C03 | H28 | sing | 1.08Å | 1.08Å | |
| C08 | H29 | sing | 1.08Å | 1.08Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| O18 | H31 | sing | 0.97Å | 0.95Å | |
| C16 | H32 | sing | 1.09Å | 1.10Å | |
| C16 | H33 | sing | 1.09Å | 1.10Å | |
| C4 | H34 | sing | 1.08Å | 1.08Å | |
| C3 | H35 | sing | 1.08Å | 1.08Å | |
| C04 | H36 | sing | 1.09Å | 1.10Å | |
| C04 | H37 | sing | 1.09Å | 1.10Å | |
| C04 | H38 | sing | 1.09Å | 1.10Å | |
| C7 | H39 | sing | 1.08Å | 1.08Å | |
| C6 | H40 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | O01 | C02 | 117.6° | 115.8° |
| O01 | C27 | O28 | 120.4° | 106.3° |
| O01 | C27 | C31 | 114.1° | 110.7° |
| O01 | C27 | H17 | 104.1° | 112.5° |
| O01 | C02 | C01 | 114.3° | 108.4° |
| O01 | C02 | H18 | 108.3° | 109.6° |
| O01 | C02 | H19 | 108.3° | 109.7° |
| O28 | C27 | C31 | 108.6° | 102.3° |
| C27 | O28 | C29 | 106.5° | 106.5° |
| O28 | C27 | H17 | 104.1° | 112.3° |
| C27 | C31 | C1 | 100.0° | 102.7° |
| C27 | C31 | C24 | 113.6° | 112.5° |
| C27 | C31 | H10 | 107.7° | 110.0° |
| C31 | C27 | H17 | 103.6° | 112.2° |
| C02 | C01 | C24 | 111.6° | 108.0° |
| C01 | C02 | H18 | 108.3° | 109.7° |
| C01 | C02 | H19 | 108.2° | 109.6° |
| C02 | C01 | H20 | 108.9° | 109.8° |
| C02 | C01 | H21 | 108.9° | 109.7° |
| O28 | C29 | C1 | 107.4° | 107.1° |
| O28 | C29 | H15 | 110.0° | 109.9° |
| O28 | C29 | H16 | 110.0° | 110.0° |
| C1 | C31 | C24 | 119.0° | 111.9° |
| C31 | C1 | O1 | 117.2° | 110.6° |
| C31 | C1 | C29 | 107.6° | 103.5° |
| C1 | C31 | H10 | 108.1° | 109.8° |
| C31 | C1 | H13 | 107.8° | 110.6° |
| C31 | C24 | C01 | 116.4° | 110.8° |
| C31 | C24 | O23 | 102.1° | 109.2° |
| C24 | C31 | H10 | 107.8° | 109.8° |
| C31 | C24 | H22 | 108.4° | 109.2° |
| C01 | C24 | O23 | 111.8° | 109.2° |
| C24 | C01 | H20 | 108.9° | 109.7° |
| C24 | C01 | H21 | 108.9° | 109.7° |
| C01 | C24 | H22 | 108.3° | 109.2° |
| O1 | C1 | C29 | 107.0° | 110.6° |
| O1 | C1 | H13 | 109.3° | 110.7° |
| C1 | O1 | H14 | 109.5° | 114.0° |
| C29 | C1 | H13 | 107.5° | 110.6° |
| C1 | C29 | H15 | 110.0° | 109.9° |
| C1 | C29 | H16 | 110.0° | 109.9° |
| C24 | O23 | C21 | 129.0° | 117.0° |
| O23 | C24 | H22 | 109.7° | 109.2° |
| O23 | C21 | O22 | 123.2° | 120.0° |
| O23 | C21 | N20 | 110.9° | 120.0° |
| O22 | C21 | N20 | 121.4° | 120.0° |
| C21 | N20 | C19 | 115.0° | 120.0° |
| C21 | N20 | H23 | 122.5° | 120.0° |
| N20 | C19 | C17 | 110.0° | 109.5° |
| N20 | C19 | C32 | 115.1° | 109.5° |
| C19 | N20 | H23 | 122.5° | 119.9° |
| N20 | C19 | H24 | 106.1° | 109.4° |
| C09 | C05 | C06 | 119.1° | 120.0° |
| C05 | C09 | C03 | 121.5° | 120.0° |
| C09 | C05 | H26 | 120.5° | 120.0° |
| C05 | C09 | H27 | 119.2° | 120.0° |
| C05 | C06 | C07 | 119.8° | 120.0° |
| C05 | C06 | H25 | 120.1° | 120.1° |
| C06 | C05 | H26 | 120.4° | 120.0° |
| C09 | C03 | C08 | 119.1° | 120.0° |
| C03 | C09 | H27 | 119.2° | 120.0° |
| C09 | C03 | H28 | 120.4° | 120.0° |
| C06 | C07 | C08 | 120.7° | 120.0° |
| C06 | C07 | C32 | 119.3° | 120.0° |
| C07 | C06 | H25 | 120.1° | 120.0° |
| C03 | C08 | C07 | 119.7° | 120.0° |
| C08 | C03 | H28 | 120.4° | 120.1° |
| C03 | C08 | H29 | 120.1° | 120.0° |
| C17 | C19 | C32 | 114.1° | 109.5° |
| C19 | C17 | O18 | 105.8° | 109.5° |
| C19 | C17 | C16 | 115.3° | 109.5° |
| C17 | C19 | H24 | 105.3° | 109.5° |
| C19 | C17 | H30 | 106.4° | 109.5° |
| C19 | C32 | C07 | 109.7° | 109.5° |
| C19 | C32 | H11 | 109.4° | 109.4° |
| C19 | C32 | H12 | 109.4° | 109.5° |
| C32 | C19 | H24 | 105.3° | 109.4° |
| C08 | C07 | C32 | 120.0° | 120.0° |
| C07 | C08 | H29 | 120.1° | 120.0° |
| C07 | C32 | H11 | 109.4° | 109.5° |
| C07 | C32 | H12 | 109.4° | 109.5° |
| C15 | C13 | C14 | 109.2° | 109.5° |
| C15 | C13 | C12 | 113.6° | 109.5° |
| C15 | C13 | H3 | 107.8° | 109.5° |
| C13 | C15 | H7 | 109.5° | 109.5° |
| C13 | C15 | H8 | 109.5° | 109.5° |
| C13 | C15 | H9 | 109.5° | 109.5° |
| O18 | C17 | C16 | 112.3° | 109.5° |
| O18 | C17 | H30 | 109.5° | 109.4° |
| C17 | O18 | H31 | 109.5° | 114.0° |
| C17 | C16 | N11 | 108.0° | 109.5° |
| C16 | C17 | H30 | 107.3° | 109.4° |
| C17 | C16 | H32 | 109.8° | 109.4° |
| C17 | C16 | H33 | 109.8° | 109.5° |
| C14 | C13 | C12 | 110.8° | 109.5° |
| C14 | C13 | H3 | 107.7° | 109.5° |
| C13 | C14 | H4 | 109.5° | 109.4° |
| C13 | C14 | H5 | 109.5° | 109.4° |
| C13 | C14 | H6 | 109.5° | 109.4° |
| C13 | C12 | N11 | 113.9° | 109.5° |
| C13 | C12 | H1 | 108.4° | 109.4° |
| C13 | C12 | H2 | 108.4° | 109.5° |
| C12 | C13 | H3 | 107.5° | 109.4° |
| C16 | N11 | C12 | 108.8° | 120.0° |
| C16 | N11 | S8 | 111.9° | 120.1° |
| N11 | C16 | H32 | 109.8° | 109.4° |
| N11 | C16 | H33 | 109.8° | 109.4° |
| C12 | N11 | S8 | 112.7° | 120.0° |
| N11 | C12 | H1 | 108.3° | 109.5° |
| N11 | C12 | H2 | 108.4° | 109.5° |
| N11 | S8 | O10 | 111.3° | 106.4° |
| N11 | S8 | O9 | 114.0° | 106.4° |
| N11 | S8 | C5 | 112.4° | 107.2° |
| O10 | S8 | O9 | 99.9° | 123.2° |
| O10 | S8 | C5 | 108.5° | 106.4° |
| O9 | S8 | C5 | 110.0° | 106.4° |
| S8 | C5 | C4 | 117.0° | 119.9° |
| S8 | C5 | C6 | 121.0° | 119.9° |
| C4 | C5 | C6 | 122.0° | 120.1° |
| C5 | C4 | C3 | 119.6° | 120.1° |
| C5 | C4 | H34 | 120.2° | 120.0° |
| C5 | C6 | C7 | 118.7° | 120.0° |
| C5 | C6 | H40 | 120.6° | 120.0° |
| C4 | C3 | C2 | 119.5° | 119.9° |
| C3 | C4 | H34 | 120.2° | 119.9° |
| C4 | C3 | H35 | 120.2° | 120.0° |
| C6 | C7 | C2 | 119.0° | 120.0° |
| C6 | C7 | H39 | 120.5° | 120.1° |
| C7 | C6 | H40 | 120.6° | 120.0° |
| C3 | C2 | C7 | 121.1° | 119.9° |
| C3 | C2 | O03 | 116.7° | 120.1° |
| C2 | C3 | H35 | 120.2° | 120.0° |
| C7 | C2 | O03 | 122.1° | 120.1° |
| C2 | C7 | H39 | 120.5° | 120.0° |
| C2 | O03 | C04 | 117.0° | 117.0° |
| O03 | C04 | H36 | 109.5° | 109.5° |
| O03 | C04 | H37 | 109.5° | 109.5° |
| O03 | C04 | H38 | 109.5° | 109.4° |
| H1 | C12 | H2 | 109.5° | 109.4° |
| H4 | C14 | H5 | 109.4° | 109.5° |
| H4 | C14 | H6 | 109.5° | 109.5° |
| H5 | C14 | H6 | 109.5° | 109.5° |
| H7 | C15 | H8 | 109.4° | 109.4° |
| H7 | C15 | H9 | 109.4° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H11 | C32 | H12 | 109.5° | 109.5° |
| H15 | C29 | H16 | 109.5° | 109.9° |
| H18 | C02 | H19 | 109.5° | 109.8° |
| H20 | C01 | H21 | 109.5° | 109.8° |
| H32 | C16 | H33 | 109.5° | 109.5° |
| H36 | C04 | H37 | 109.4° | 109.5° |
| H36 | C04 | H38 | 109.5° | 109.5° |
| H37 | C04 | H38 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C27 | O28 | C31 | 134.2° | 116.1° |
| O01 | C27 | O28 | H17 | 115.9° | 123.4° |
| O01 | C27 | C31 | H17 | 112.5° | 126.6° |
| C27 | O01 | C02 | C01 | 49.6° | 62.9° |
| O01 | C27 | O28 | C29 | 154.1° | 74.2° |
| O01 | C27 | C31 | C1 | 167.7° | 73.4° |
| O01 | C27 | C31 | C24 | 39.8° | 47.0° |
| O01 | C27 | C31 | H10 | 79.5° | 169.7° |
| C27 | O01 | C02 | H18 | 71.1° | 177.4° |
| C27 | O01 | C02 | H19 | 170.3° | 56.8° |
| C02 | O01 | C27 | O28 | 85.8° | 165.2° |
| C02 | O01 | C27 | C31 | 46.0° | 54.9° |
| O01 | C02 | C01 | H18 | 120.7° | 119.7° |
| O01 | C02 | C01 | H19 | 120.7° | 119.7° |
| O01 | C02 | C01 | C24 | 46.8° | 61.2° |
| C02 | O01 | C27 | H17 | 158.2° | 71.5° |
| O01 | C02 | H18 | H19 | 117.8° | 120.5° |
| O01 | C02 | C01 | H20 | 167.1° | 58.4° |
| O01 | C02 | C01 | H21 | 73.5° | 179.2° |
| O28 | C27 | C31 | H17 | 110.2° | 120.6° |
| O28 | C27 | C31 | C1 | 30.4° | 39.4° |
| O28 | C27 | C31 | C24 | 97.5° | 159.8° |
| C27 | O28 | C29 | C1 | 0.7° | 27.5° |
| O28 | C27 | C31 | H10 | 143.2° | 77.4° |
| C27 | O28 | C29 | H15 | 119.0° | 91.9° |
| C27 | O28 | C29 | H16 | 120.4° | 146.9° |
| C31 | C27 | O28 | C29 | 19.9° | 41.9° |
| C27 | C31 | C1 | C24 | 124.2° | 120.9° |
| C27 | C31 | C1 | H10 | 112.5° | 117.0° |
| C27 | C31 | C24 | H10 | 119.3° | 122.8° |
| C27 | C31 | C24 | C01 | 40.9° | 50.2° |
| C27 | C31 | C1 | O1 | 91.2° | 141.3° |
| C27 | C31 | C1 | C29 | 29.4° | 22.8° |
| C27 | C31 | C24 | O23 | 81.1° | 170.5° |
| C27 | C31 | C1 | H13 | 145.1° | 95.7° |
| C27 | C31 | C24 | H22 | 163.2° | 70.2° |
| C02 | C01 | C24 | C31 | 43.3° | 56.7° |
| C02 | C01 | C24 | H20 | 120.3° | 119.6° |
| C02 | C01 | C24 | H21 | 120.3° | 119.6° |
| C02 | C01 | C24 | O23 | 73.4° | 177.0° |
| C01 | C02 | H18 | H19 | 117.8° | 120.5° |
| C02 | C01 | H20 | H21 | 119.0° | 120.7° |
| C02 | C01 | C24 | H22 | 165.7° | 63.7° |
| O28 | C29 | C1 | C31 | 19.2° | 1.7° |
| O28 | C29 | C1 | O1 | 107.6° | 116.9° |
| O28 | C29 | C1 | H15 | 119.7° | 119.4° |
| O28 | C29 | C1 | H16 | 119.7° | 119.5° |
| O28 | C29 | C1 | H13 | 135.1° | 120.2° |
| O28 | C29 | H15 | H16 | 121.0° | 121.2° |
| C29 | O28 | C27 | H17 | 90.0° | 162.4° |
| C1 | C31 | C24 | H10 | 123.4° | 122.2° |
| C1 | C31 | C24 | C01 | 158.2° | 64.8° |
| C31 | C1 | O1 | C29 | 120.8° | 114.1° |
| C31 | C1 | O1 | H13 | 123.0° | 122.9° |
| C31 | C1 | C29 | H13 | 115.9° | 118.5° |
| C1 | C31 | C24 | O23 | 36.2° | 55.6° |
| C31 | C1 | O1 | H14 | 180.0° | 179.9° |
| C31 | C1 | C29 | H15 | 138.8° | 117.7° |
| C31 | C1 | C29 | H16 | 100.5° | 121.2° |
| C1 | C31 | C27 | H17 | 79.8° | 160.0° |
| C1 | C31 | C24 | H22 | 79.5° | 174.9° |
| C31 | C24 | C01 | O23 | 116.7° | 120.4° |
| C31 | C24 | C01 | H22 | 122.3° | 120.3° |
| C24 | C31 | C1 | O1 | 144.6° | 97.8° |
| C24 | C31 | C1 | C29 | 94.9° | 143.6° |
| C31 | C24 | O23 | H22 | 114.8° | 119.3° |
| C31 | C24 | O23 | C21 | 148.8° | 150.0° |
| C24 | C31 | C1 | H13 | 20.9° | 25.1° |
| C24 | C31 | C27 | H17 | 152.3° | 79.6° |
| C31 | C24 | C01 | H20 | 163.7° | 63.0° |
| C31 | C24 | C01 | H21 | 77.0° | 176.3° |
| C01 | C24 | O23 | H22 | 120.1° | 119.3° |
| C01 | C24 | O23 | C21 | 86.0° | 88.6° |
| C01 | C24 | C31 | H10 | 78.4° | 173.0° |
| C24 | C01 | C02 | H18 | 73.9° | 179.1° |
| C24 | C01 | C02 | H19 | 167.5° | 58.5° |
| C24 | C01 | H20 | H21 | 119.0° | 120.7° |
| O1 | C1 | C29 | H13 | 117.3° | 123.0° |
| O1 | C1 | C31 | H10 | 21.3° | 24.3° |
| O1 | C1 | C29 | H15 | 12.1° | 123.8° |
| O1 | C1 | C29 | H16 | 132.7° | 2.7° |
| C29 | C1 | C31 | H10 | 141.9° | 94.2° |
| C29 | C1 | O1 | H14 | 59.1° | 65.8° |
| C1 | C29 | H15 | H16 | 120.9° | 121.1° |
| C24 | O23 | C21 | O22 | 38.4° | 0.0° |
| C24 | O23 | C21 | N20 | 165.2° | 180.0° |
| O23 | C24 | C31 | H10 | 159.6° | 66.6° |
| O23 | C24 | C01 | H20 | 46.9° | 57.4° |
| O23 | C24 | C01 | H21 | 166.3° | 63.4° |
| O23 | C21 | O22 | N20 | 154.0° | 180.0° |
| O23 | C21 | N20 | C19 | 159.2° | 179.9° |
| C21 | O23 | C24 | H22 | 34.1° | 30.7° |
| O23 | C21 | N20 | H23 | 20.8° | 0.0° |
| O22 | C21 | N20 | C19 | 2.3° | 0.1° |
| O22 | C21 | N20 | H23 | 177.7° | 179.9° |
| C21 | N20 | C19 | H23 | 180.0° | 179.9° |
| C21 | N20 | C19 | C17 | 116.5° | 155.0° |
| C21 | N20 | C19 | C32 | 112.9° | 84.9° |
| C21 | N20 | C19 | H24 | 3.1° | 35.0° |
| N20 | C19 | C17 | C32 | 131.1° | 120.1° |
| N20 | C19 | C17 | H24 | 113.9° | 120.0° |
| N20 | C19 | C32 | H24 | 116.4° | 119.9° |
| N20 | C19 | C32 | C07 | 52.8° | 64.9° |
| N20 | C19 | C17 | O18 | 66.0° | 65.0° |
| N20 | C19 | C17 | C16 | 169.2° | 174.9° |
| N20 | C19 | C32 | H11 | 67.3° | 55.0° |
| N20 | C19 | C32 | H12 | 172.8° | 175.0° |
| N20 | C19 | C17 | H30 | 50.4° | 55.0° |
| C09 | C05 | C06 | H26 | 180.0° | 180.0° |
| C05 | C09 | C03 | H27 | 180.0° | 180.0° |
| C09 | C05 | C06 | C07 | 0.2° | 0.0° |
| C05 | C09 | C03 | C08 | 0.1° | 0.1° |
| C09 | C05 | C06 | H25 | 179.8° | 180.0° |
| C05 | C09 | C03 | H28 | 179.9° | 180.0° |
| C06 | C05 | C09 | C03 | 0.3° | NaN° |
| C05 | C06 | C07 | H25 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 0.2° | 0.0° |
| C05 | C06 | C07 | C32 | 179.8° | 179.8° |
| C06 | C05 | C09 | H27 | 179.7° | 180.0° |
| C09 | C03 | C08 | H28 | 180.0° | 179.9° |
| C09 | C03 | C08 | C07 | 0.3° | 0.1° |
| C03 | C09 | C05 | H26 | 179.6° | 180.0° |
| C09 | C03 | C08 | H29 | 179.8° | 179.8° |
| C06 | C07 | C08 | C03 | 0.4° | 0.1° |
| C06 | C07 | C32 | C19 | 101.0° | 89.8° |
| C06 | C07 | C08 | C32 | 179.6° | 179.8° |
| C06 | C07 | C32 | H11 | 19.0° | 150.3° |
| C06 | C07 | C32 | H12 | 138.9° | 30.2° |
| C07 | C06 | C05 | H26 | 179.8° | 180.0° |
| C06 | C07 | C08 | H29 | 179.6° | 179.7° |
| C03 | C08 | C07 | H29 | 180.0° | 179.6° |
| C03 | C08 | C07 | C32 | 180.0° | 179.7° |
| C08 | C03 | C09 | H27 | 179.9° | 179.9° |
| C17 | C19 | C32 | H24 | 115.0° | 120.0° |
| C17 | C19 | C32 | C07 | 178.7° | 175.0° |
| C19 | C17 | O18 | C16 | 126.6° | 120.0° |
| C19 | C17 | O18 | H30 | 114.4° | 120.0° |
| C19 | C17 | C16 | H30 | 118.3° | 120.0° |
| C19 | C17 | C16 | N11 | 70.3° | 175.1° |
| C17 | C19 | C32 | H11 | 61.2° | 65.0° |
| C17 | C19 | C32 | H12 | 58.7° | 54.9° |
| C17 | C19 | N20 | H23 | 63.5° | 25.1° |
| C19 | C17 | O18 | H31 | 180.0° | 60.0° |
| C19 | C17 | C16 | H32 | 49.5° | 65.0° |
| C19 | C17 | C16 | H33 | 169.9° | 55.1° |
| C19 | C32 | C07 | C08 | 79.3° | 90.0° |
| C19 | C32 | C07 | H11 | 120.1° | 119.9° |
| C19 | C32 | C07 | H12 | 120.0° | 120.0° |
| C32 | C19 | C17 | O18 | 65.1° | 55.0° |
| C32 | C19 | C17 | C16 | 59.7° | 65.0° |
| C19 | C32 | H11 | H12 | 119.9° | 120.0° |
| C32 | C19 | N20 | H23 | 67.1° | 95.0° |
| C32 | C19 | C17 | H30 | 178.5° | 175.0° |
| C08 | C07 | C32 | H11 | 160.6° | 29.9° |
| C08 | C07 | C32 | H12 | 40.7° | 150.0° |
| C08 | C07 | C06 | H25 | 179.8° | 180.0° |
| C07 | C08 | C03 | H28 | 179.8° | 180.0° |
| C07 | C32 | H11 | H12 | 119.9° | 120.1° |
| C07 | C32 | C19 | H24 | 63.7° | 55.0° |
| C32 | C07 | C06 | H25 | 0.2° | 0.2° |
| C32 | C07 | C08 | H29 | 0.0° | 0.1° |
| C15 | C13 | C14 | C12 | 125.9° | 120.0° |
| C15 | C13 | C14 | H3 | 116.9° | 120.0° |
| C15 | C13 | C12 | H3 | 119.2° | 120.0° |
| C15 | C13 | C12 | N11 | 21.8° | 176.6° |
| C15 | C13 | C12 | H1 | 98.9° | 63.4° |
| C15 | C13 | C12 | H2 | 142.4° | 56.5° |
| C15 | C13 | C14 | H4 | 180.0° | 65.1° |
| C15 | C13 | C14 | H5 | 60.0° | 54.9° |
| C15 | C13 | C14 | H6 | 60.0° | 174.8° |
| C13 | C15 | H7 | H8 | 120.0° | 120.0° |
| C13 | C15 | H7 | H9 | 120.0° | 120.0° |
| C13 | C15 | H8 | H9 | 120.0° | 120.0° |
| O18 | C17 | C16 | H30 | 120.4° | 119.9° |
| O18 | C17 | C16 | N11 | 168.4° | 64.9° |
| O18 | C17 | C19 | H24 | 179.9° | 175.0° |
| O18 | C17 | C16 | H32 | 71.8° | 55.0° |
| O18 | C17 | C16 | H33 | 48.6° | 175.1° |
| C17 | C16 | N11 | H32 | 119.8° | 120.0° |
| C17 | C16 | N11 | H33 | 119.8° | 120.1° |
| C17 | C16 | N11 | C12 | 114.6° | 81.9° |
| C17 | C16 | N11 | S8 | 120.2° | 97.7° |
| C16 | C17 | C19 | H24 | 55.3° | 55.0° |
| C16 | C17 | O18 | H31 | 53.4° | 60.0° |
| C17 | C16 | H32 | H33 | 120.6° | 120.1° |
| C14 | C13 | C12 | H3 | 117.4° | 120.0° |
| C14 | C13 | C12 | N11 | 145.2° | 63.4° |
| C14 | C13 | C12 | H1 | 24.5° | 56.6° |
| C14 | C13 | C12 | H2 | 94.2° | 176.5° |
| C13 | C14 | H4 | H5 | 120.0° | 120.0° |
| C13 | C14 | H4 | H6 | 120.0° | 120.0° |
| C13 | C14 | H5 | H6 | 120.0° | 120.0° |
| C14 | C13 | C15 | H7 | 180.0° | 180.0° |
| C14 | C13 | C15 | H8 | 60.0° | 60.0° |
| C14 | C13 | C15 | H9 | 60.0° | 60.0° |
| C13 | C12 | N11 | C16 | 122.8° | 65.0° |
| C13 | C12 | N11 | H1 | 120.7° | 120.0° |
| C13 | C12 | N11 | H2 | 120.6° | 120.0° |
| C13 | C12 | N11 | S8 | 112.5° | 115.4° |
| C13 | C12 | H1 | H2 | 118.0° | 120.0° |
| C12 | C13 | C14 | H4 | 54.1° | 54.9° |
| C12 | C13 | C14 | H5 | 65.9° | 174.9° |
| C12 | C13 | C14 | H6 | 174.1° | 65.1° |
| C12 | C13 | C15 | H7 | 55.8° | 60.0° |
| C12 | C13 | C15 | H8 | 175.8° | 180.0° |
| C12 | C13 | C15 | H9 | 64.2° | 60.0° |
| C16 | N11 | C12 | S8 | 124.7° | 179.7° |
| C16 | N11 | S8 | O10 | 154.5° | 156.1° |
| C16 | N11 | S8 | O9 | 42.5° | 23.2° |
| C16 | N11 | S8 | C5 | 83.6° | 90.3° |
| C16 | N11 | C12 | H1 | 2.1° | 175.1° |
| C16 | N11 | C12 | H2 | 116.6° | 55.1° |
| N11 | C16 | C17 | H30 | 48.0° | 55.1° |
| N11 | C16 | H32 | H33 | 120.7° | 119.9° |
| C12 | N11 | S8 | O10 | 82.4° | 23.5° |
| C12 | N11 | S8 | O9 | 165.5° | 156.5° |
| C12 | N11 | S8 | C5 | 39.5° | 90.0° |
| N11 | C12 | H1 | H2 | 118.0° | 120.0° |
| N11 | C12 | C13 | H3 | 97.5° | 56.6° |
| C12 | N11 | C16 | H32 | 125.6° | 158.1° |
| C12 | N11 | C16 | H33 | 5.2° | 38.1° |
| N11 | S8 | O10 | O9 | 120.7° | 123.0° |
| N11 | S8 | O10 | C5 | 124.2° | 114.1° |
| N11 | S8 | O9 | C5 | 127.3° | 114.1° |
| N11 | S8 | C5 | C4 | 83.1° | 89.9° |
| N11 | S8 | C5 | C6 | 98.0° | 90.3° |
| S8 | N11 | C12 | H1 | 126.9° | 4.6° |
| S8 | N11 | C12 | H2 | 8.2° | 124.6° |
| S8 | N11 | C16 | H32 | 0.4° | 22.2° |
| S8 | N11 | C16 | H33 | 120.1° | 142.2° |
| O10 | S8 | O9 | C5 | 113.9° | 122.9° |
| O10 | S8 | C5 | C4 | 40.4° | 156.5° |
| O10 | S8 | C5 | C6 | 138.5° | 23.3° |
| O9 | S8 | C5 | C4 | 148.8° | 23.6° |
| O9 | S8 | C5 | C6 | 30.2° | 156.2° |
| S8 | C5 | C4 | C6 | 178.9° | 179.8° |
| S8 | C5 | C4 | C3 | 179.7° | 180.0° |
| S8 | C5 | C6 | C7 | 179.9° | 179.7° |
| S8 | C5 | C4 | H34 | 0.3° | 0.0° |
| S8 | C5 | C6 | H40 | 0.1° | 0.0° |
| C5 | C4 | C3 | H34 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 1.0° | 0.5° |
| C5 | C4 | C3 | C2 | 1.1° | 0.0° |
| C5 | C4 | C3 | H35 | 178.8° | 180.0° |
| C4 | C5 | C6 | H40 | 179.0° | 179.7° |
| C6 | C5 | C4 | C3 | 1.4° | 0.2° |
| C5 | C6 | C7 | H40 | 180.0° | 179.7° |
| C5 | C6 | C7 | C2 | 0.4° | 0.6° |
| C6 | C5 | C4 | H34 | 178.6° | 179.7° |
| C5 | C6 | C7 | H39 | 179.5° | 179.7° |
| C4 | C3 | C2 | H35 | 180.0° | 180.0° |
| C4 | C3 | C2 | C7 | 0.6° | 0.0° |
| C4 | C3 | C2 | O03 | 179.4° | 180.0° |
| C6 | C7 | C2 | C3 | 0.3° | 0.3° |
| C6 | C7 | C2 | H39 | 180.0° | 179.7° |
| C6 | C7 | C2 | O03 | 179.7° | 179.7° |
| C3 | C2 | C7 | O03 | 180.0° | 180.0° |
| C3 | C2 | O03 | C04 | 27.5° | 180.0° |
| C2 | C3 | C4 | H34 | 178.9° | 180.0° |
| C3 | C2 | C7 | H39 | 179.7° | 180.0° |
| C7 | C2 | O03 | C04 | 152.4° | 0.1° |
| C7 | C2 | C3 | H35 | 179.4° | 180.0° |
| C2 | C7 | C6 | H40 | 179.6° | 179.7° |
| O03 | C2 | C3 | H35 | 0.7° | 0.0° |
| C2 | O03 | C04 | H36 | 180.0° | 179.9° |
| C2 | O03 | C04 | H37 | 60.0° | 59.9° |
| C2 | O03 | C04 | H38 | 60.0° | 60.0° |
| O03 | C2 | C7 | H39 | 0.3° | 0.0° |
| O03 | C04 | H36 | H37 | 120.0° | 120.0° |
| O03 | C04 | H36 | H38 | 120.0° | 120.0° |
| O03 | C04 | H37 | H38 | 120.0° | 119.9° |
| H1 | C12 | C13 | H3 | 141.9° | 176.6° |
| H2 | C12 | C13 | H3 | 23.2° | 63.5° |
| H3 | C13 | C14 | H4 | 63.2° | 174.9° |
| H3 | C13 | C14 | H5 | 176.9° | 65.1° |
| H3 | C13 | C14 | H6 | 56.9° | 54.9° |
| H3 | C13 | C15 | H7 | 63.2° | 59.9° |
| H3 | C13 | C15 | H8 | 56.7° | 60.0° |
| H3 | C13 | C15 | H9 | 176.8° | 180.0° |
| H4 | C14 | H5 | H6 | 120.0° | 120.1° |
| H7 | C15 | H8 | H9 | 120.0° | 120.0° |
| H10 | C31 | C1 | H13 | 102.4° | 147.3° |
| H10 | C31 | C27 | H17 | 33.0° | 43.1° |
| H10 | C31 | C24 | H22 | 43.9° | 52.7° |
| H11 | C32 | C19 | H24 | 176.3° | 175.0° |
| H12 | C32 | C19 | H24 | 56.4° | 65.1° |
| H13 | C1 | O1 | H14 | 57.0° | 57.1° |
| H13 | C1 | C29 | H15 | 105.3° | 0.8° |
| H13 | C1 | C29 | H16 | 15.4° | 120.3° |
| H18 | C02 | C01 | H20 | 46.4° | 61.2° |
| H18 | C02 | C01 | H21 | 165.8° | 59.5° |
| H19 | C02 | C01 | H20 | 72.2° | 178.1° |
| H19 | C02 | C01 | H21 | 47.2° | 61.1° |
| H20 | C01 | C24 | H22 | 74.0° | 176.7° |
| H21 | C01 | C24 | H22 | 45.4° | 55.9° |
| H23 | N20 | C19 | H24 | 176.9° | 145.1° |
| H24 | C19 | C17 | H30 | 63.5° | 65.0° |
| H25 | C06 | C05 | H26 | 0.2° | 0.0° |
| H26 | C05 | C09 | H27 | 0.4° | 0.0° |
| H27 | C09 | C03 | H28 | 0.1° | 0.0° |
| H28 | C03 | C08 | H29 | 0.2° | 0.4° |
| H30 | C17 | O18 | H31 | 65.7° | 180.0° |
| H30 | C17 | C16 | H32 | 167.8° | 175.0° |
| H30 | C17 | C16 | H33 | 71.8° | 65.0° |
| H34 | C4 | C3 | H35 | 1.1° | 0.0° |
| H36 | C04 | H37 | H38 | 120.0° | 120.1° |
| H39 | C7 | C6 | H40 | 0.4° | 0.0° |
