52U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | O03 | sing | 1.43Å | 1.39Å | |
| O03 | C2 | sing | 1.36Å | 1.38Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | S8 | sing | 1.76Å | 1.77Å | |
| S8 | O9 | doub | 1.42Å | 1.45Å | |
| S8 | O10 | doub | 1.42Å | 1.43Å | |
| S8 | N11 | sing | 1.66Å | 1.68Å | |
| C12 | N11 | sing | 1.47Å | 1.48Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| N11 | C16 | sing | 1.46Å | 1.48Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C15 | C13 | sing | 1.53Å | 1.49Å | |
| C13 | C14 | sing | 1.53Å | 1.49Å | |
| C32 | C07 | sing | 1.51Å | 1.50Å | |
| C32 | C19 | sing | 1.53Å | 1.52Å | |
| C17 | O18 | sing | 1.43Å | 1.37Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | N20 | sing | 1.46Å | 1.44Å | |
| C05 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| N20 | C21 | sing | 1.35Å | 1.46Å | |
| O22 | C21 | doub | 1.21Å | 1.24Å | |
| C21 | O23 | sing | 1.35Å | 1.40Å | |
| O23 | C24 | sing | 1.45Å | 1.40Å | |
| C24 | C01 | sing | 1.54Å | 1.49Å | |
| C24 | C31 | sing | 1.51Å | 1.53Å | |
| C30 | C29 | sing | 1.55Å | 1.50Å | |
| C30 | C31 | sing | 1.55Å | 1.48Å | |
| C29 | O28 | sing | 1.43Å | 1.40Å | |
| C01 | C02 | sing | 1.53Å | 1.50Å | |
| C31 | C27 | sing | 1.54Å | 1.50Å | |
| O28 | C27 | sing | 1.45Å | 1.38Å | |
| C02 | O01 | sing | 1.43Å | 1.37Å | |
| C27 | O01 | sing | 1.43Å | 1.38Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C31 | H7 | sing | 1.09Å | 1.10Å | |
| C30 | H8 | sing | 1.09Å | 1.10Å | |
| C30 | H9 | sing | 1.09Å | 1.10Å | |
| C29 | H10 | sing | 1.09Å | 1.10Å | |
| C29 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C02 | H13 | sing | 1.09Å | 1.10Å | |
| C02 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C01 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| N20 | H18 | sing | 0.97Å | 1.00Å | |
| C32 | H19 | sing | 1.09Å | 1.10Å | |
| C32 | H20 | sing | 1.09Å | 1.10Å | |
| C06 | H21 | sing | 1.08Å | 1.08Å | |
| C05 | H22 | sing | 1.08Å | 1.08Å | |
| C09 | H23 | sing | 1.08Å | 1.08Å | |
| C03 | H24 | sing | 1.08Å | 1.08Å | |
| C08 | H25 | sing | 1.08Å | 1.08Å | |
| O18 | H26 | sing | 0.97Å | 0.95Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C12 | H29 | sing | 1.09Å | 1.10Å | |
| C12 | H30 | sing | 1.09Å | 1.10Å | |
| C13 | H31 | sing | 1.09Å | 1.10Å | |
| C15 | H32 | sing | 1.09Å | 1.10Å | |
| C15 | H33 | sing | 1.09Å | 1.10Å | |
| C15 | H34 | sing | 1.09Å | 1.10Å | |
| C14 | H35 | sing | 1.09Å | 1.10Å | |
| C14 | H36 | sing | 1.09Å | 1.10Å | |
| C14 | H37 | sing | 1.09Å | 1.10Å | |
| C04 | H38 | sing | 1.09Å | 1.10Å | |
| C04 | H39 | sing | 1.09Å | 1.10Å | |
| C04 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | O03 | C2 | 116.0° | 117.0° |
| O03 | C04 | H38 | 109.5° | 109.5° |
| O03 | C04 | H39 | 109.5° | 109.5° |
| O03 | C04 | H40 | 109.4° | 109.4° |
| O03 | C2 | C3 | 121.8° | 120.1° |
| O03 | C2 | C7 | 117.5° | 120.0° |
| C3 | C2 | C7 | 120.7° | 119.9° |
| C2 | C3 | C4 | 120.2° | 120.0° |
| C2 | C3 | H4 | 119.9° | 120.0° |
| C2 | C7 | C6 | 119.2° | 119.9° |
| C2 | C7 | H1 | 120.4° | 120.0° |
| C3 | C4 | C5 | 118.4° | 120.0° |
| C3 | C4 | H3 | 120.8° | 120.0° |
| C4 | C3 | H4 | 119.9° | 120.0° |
| C7 | C6 | C5 | 120.2° | 120.1° |
| C6 | C7 | H1 | 120.4° | 120.1° |
| C7 | C6 | H2 | 119.9° | 119.9° |
| C4 | C5 | C6 | 121.3° | 120.1° |
| C4 | C5 | S8 | 119.5° | 120.0° |
| C5 | C4 | H3 | 120.8° | 120.0° |
| C6 | C5 | S8 | 119.2° | 119.9° |
| C5 | C6 | H2 | 119.9° | 120.0° |
| C5 | S8 | O9 | 107.5° | 106.4° |
| C5 | S8 | O10 | 111.3° | 106.4° |
| C5 | S8 | N11 | 112.8° | 107.2° |
| O9 | S8 | O10 | 96.9° | 123.2° |
| O9 | S8 | N11 | 112.0° | 106.4° |
| O10 | S8 | N11 | 115.1° | 106.5° |
| S8 | N11 | C12 | 116.9° | 120.0° |
| S8 | N11 | C16 | 113.9° | 120.1° |
| N11 | C12 | C13 | 112.4° | 109.5° |
| C12 | N11 | C16 | 113.7° | 120.0° |
| N11 | C12 | H29 | 108.7° | 109.4° |
| N11 | C12 | H30 | 108.8° | 109.4° |
| C12 | C13 | C15 | 110.8° | 109.5° |
| C12 | C13 | C14 | 111.2° | 109.5° |
| C13 | C12 | H29 | 108.7° | 109.5° |
| C13 | C12 | H30 | 108.7° | 109.5° |
| C12 | C13 | H31 | 108.2° | 109.4° |
| N11 | C16 | C17 | 109.8° | 109.5° |
| N11 | C16 | H27 | 109.4° | 109.5° |
| N11 | C16 | H28 | 109.4° | 109.5° |
| C16 | C17 | O18 | 109.6° | 109.5° |
| C16 | C17 | C19 | 117.0° | 109.5° |
| C16 | C17 | H5 | 107.8° | 109.4° |
| C17 | C16 | H27 | 109.4° | 109.5° |
| C17 | C16 | H28 | 109.4° | 109.4° |
| C15 | C13 | C14 | 109.7° | 109.5° |
| C15 | C13 | H31 | 108.5° | 109.5° |
| C13 | C15 | H32 | 109.5° | 109.4° |
| C13 | C15 | H33 | 109.4° | 109.4° |
| C13 | C15 | H34 | 109.5° | 109.5° |
| C14 | C13 | H31 | 108.4° | 109.5° |
| C13 | C14 | H35 | 109.5° | 109.5° |
| C13 | C14 | H36 | 109.4° | 109.5° |
| C13 | C14 | H37 | 109.5° | 109.5° |
| C07 | C32 | C19 | 110.0° | 109.5° |
| C32 | C07 | C06 | 119.8° | 120.0° |
| C32 | C07 | C08 | 120.5° | 120.0° |
| C07 | C32 | H19 | 109.3° | 109.5° |
| C07 | C32 | H20 | 109.3° | 109.5° |
| C32 | C19 | C17 | 109.9° | 109.5° |
| C32 | C19 | N20 | 107.4° | 109.5° |
| C32 | C19 | H6 | 109.5° | 109.5° |
| C19 | C32 | H19 | 109.3° | 109.5° |
| C19 | C32 | H20 | 109.3° | 109.5° |
| O18 | C17 | C19 | 104.9° | 109.5° |
| O18 | C17 | H5 | 109.8° | 109.5° |
| C17 | O18 | H26 | 109.5° | 114.1° |
| C17 | C19 | N20 | 110.2° | 109.4° |
| C19 | C17 | H5 | 107.7° | 109.5° |
| C17 | C19 | H6 | 109.3° | 109.4° |
| C07 | C06 | C05 | 120.2° | 120.0° |
| C06 | C07 | C08 | 119.7° | 120.0° |
| C07 | C06 | H21 | 119.9° | 120.0° |
| C06 | C05 | C09 | 120.1° | 120.0° |
| C05 | C06 | H21 | 119.9° | 120.0° |
| C06 | C05 | H22 | 119.9° | 120.0° |
| C07 | C08 | C03 | 119.6° | 120.0° |
| C07 | C08 | H25 | 120.2° | 120.0° |
| C19 | N20 | C21 | 116.0° | 120.0° |
| N20 | C19 | H6 | 110.5° | 109.5° |
| C19 | N20 | H18 | 122.0° | 120.0° |
| C05 | C09 | C03 | 119.7° | 120.0° |
| C09 | C05 | H22 | 120.0° | 120.0° |
| C05 | C09 | H23 | 120.2° | 120.0° |
| C08 | C03 | C09 | 120.7° | 120.0° |
| C08 | C03 | H24 | 119.6° | 120.0° |
| C03 | C08 | H25 | 120.2° | 120.0° |
| C03 | C09 | H23 | 120.1° | 120.0° |
| C09 | C03 | H24 | 119.7° | 120.0° |
| N20 | C21 | O22 | 124.0° | 120.0° |
| N20 | C21 | O23 | 112.3° | 120.0° |
| C21 | N20 | H18 | 122.0° | 120.0° |
| O22 | C21 | O23 | 122.0° | 120.0° |
| C21 | O23 | C24 | 125.3° | 117.0° |
| O23 | C24 | C01 | 106.9° | 109.1° |
| O23 | C24 | C31 | 109.6° | 109.0° |
| O23 | C24 | H17 | 112.0° | 109.1° |
| C01 | C24 | C31 | 107.4° | 110.5° |
| C24 | C01 | C02 | 111.3° | 107.7° |
| C24 | C01 | H15 | 109.0° | 110.2° |
| C24 | C01 | H16 | 109.0° | 109.7° |
| C01 | C24 | H17 | 110.7° | 109.2° |
| C24 | C31 | C30 | 111.1° | 112.4° |
| C24 | C31 | C27 | 115.2° | 113.0° |
| C24 | C31 | H7 | 109.7° | 110.0° |
| C31 | C24 | H17 | 110.1° | 109.8° |
| C29 | C30 | C31 | 105.5° | 101.6° |
| C30 | C29 | O28 | 106.5° | 107.6° |
| C29 | C30 | H8 | 110.5° | 111.0° |
| C29 | C30 | H9 | 110.5° | 111.0° |
| C30 | C29 | H10 | 110.2° | 109.8° |
| C30 | C29 | H11 | 110.2° | 109.8° |
| C30 | C31 | C27 | 100.0° | 101.5° |
| C30 | C31 | H7 | 110.3° | 109.9° |
| C31 | C30 | H8 | 110.5° | 111.0° |
| C31 | C30 | H9 | 110.4° | 111.0° |
| C29 | O28 | C27 | 103.3° | 109.5° |
| O28 | C29 | H10 | 110.2° | 109.8° |
| O28 | C29 | H11 | 110.2° | 109.8° |
| C01 | C02 | O01 | 111.1° | 108.3° |
| C01 | C02 | H13 | 109.1° | 109.8° |
| C01 | C02 | H14 | 109.1° | 109.7° |
| C02 | C01 | H15 | 109.0° | 109.8° |
| C02 | C01 | H16 | 109.0° | 109.7° |
| C31 | C27 | O28 | 106.5° | 103.8° |
| C31 | C27 | O01 | 114.7° | 110.8° |
| C27 | C31 | H7 | 110.1° | 109.9° |
| C31 | C27 | H12 | 107.3° | 111.5° |
| O28 | C27 | O01 | 110.4° | 106.3° |
| O28 | C27 | H12 | 108.9° | 111.7° |
| C02 | O01 | C27 | 115.6° | 116.1° |
| O01 | C02 | H13 | 109.1° | 109.7° |
| O01 | C02 | H14 | 109.1° | 109.7° |
| O01 | C27 | H12 | 108.8° | 112.3° |
| H8 | C30 | H9 | 109.5° | 110.9° |
| H10 | C29 | H11 | 109.5° | 109.9° |
| H13 | C02 | H14 | 109.5° | 109.7° |
| H15 | C01 | H16 | 109.5° | 109.8° |
| H19 | C32 | H20 | 109.5° | 109.5° |
| H27 | C16 | H28 | 109.4° | 109.4° |
| H29 | C12 | H30 | 109.5° | 109.5° |
| H32 | C15 | H33 | 109.5° | 109.5° |
| H32 | C15 | H34 | 109.5° | 109.4° |
| H33 | C15 | H34 | 109.5° | 109.5° |
| H35 | C14 | H36 | 109.5° | 109.5° |
| H35 | C14 | H37 | 109.5° | 109.4° |
| H36 | C14 | H37 | 109.5° | 109.4° |
| H38 | C04 | H39 | 109.5° | 109.5° |
| H38 | C04 | H40 | 109.4° | 109.4° |
| H39 | C04 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | O03 | C2 | C3 | 141.8° | 180.0° |
| C04 | O03 | C2 | C7 | 38.0° | 0.5° |
| O03 | C04 | H38 | H39 | 120.0° | 120.1° |
| O03 | C04 | H38 | H40 | 120.0° | 119.9° |
| O03 | C04 | H39 | H40 | 120.0° | 120.0° |
| O03 | C2 | C3 | C7 | 179.8° | 179.5° |
| O03 | C2 | C3 | C4 | 179.6° | 180.0° |
| O03 | C2 | C7 | C6 | 179.4° | 180.0° |
| O03 | C2 | C7 | H1 | 0.6° | 0.2° |
| O03 | C2 | C3 | H4 | 0.4° | 0.2° |
| C2 | O03 | C04 | H38 | 180.0° | 60.0° |
| C2 | O03 | C04 | H39 | 60.0° | 60.0° |
| C2 | O03 | C04 | H40 | 60.0° | 180.0° |
| C2 | C3 | C4 | H4 | 180.0° | 179.7° |
| C3 | C2 | C7 | C6 | 0.4° | 0.5° |
| C2 | C3 | C4 | C5 | 0.1° | 0.4° |
| C3 | C2 | C7 | H1 | 179.6° | 179.7° |
| C2 | C3 | C4 | H3 | 179.9° | 179.8° |
| C7 | C2 | C3 | C4 | 0.2° | 0.5° |
| C2 | C7 | C6 | H1 | 180.0° | 179.8° |
| C2 | C7 | C6 | C5 | 0.5° | 0.2° |
| C2 | C7 | C6 | H2 | 179.5° | 179.8° |
| C7 | C2 | C3 | H4 | 179.7° | 179.7° |
| C3 | C4 | C5 | H3 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.1° |
| C3 | C4 | C5 | S8 | 179.7° | 179.9° |
| C7 | C6 | C5 | C4 | 0.5° | 0.1° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C7 | C6 | C5 | S8 | 180.0° | 180.0° |
| C4 | C5 | C6 | S8 | 179.5° | 179.9° |
| C4 | C5 | S8 | O9 | 20.7° | 17.3° |
| C4 | C5 | S8 | O10 | 125.6° | 150.2° |
| C4 | C5 | S8 | N11 | 103.3° | 96.2° |
| C4 | C5 | C6 | H2 | 179.6° | 180.0° |
| C5 | C4 | C3 | H4 | 179.8° | 179.9° |
| C6 | C5 | S8 | O9 | 158.8° | 162.8° |
| C6 | C5 | S8 | O10 | 53.9° | 29.9° |
| C6 | C5 | S8 | N11 | 77.2° | 83.7° |
| C5 | C6 | C7 | H1 | 179.5° | 180.0° |
| C6 | C5 | C4 | H3 | 179.8° | 180.0° |
| C5 | S8 | O9 | O10 | 114.9° | 122.9° |
| C5 | S8 | O9 | N11 | 124.4° | 114.1° |
| C5 | S8 | O10 | N11 | 130.0° | 114.1° |
| C5 | S8 | N11 | C12 | 46.0° | 83.2° |
| C5 | S8 | N11 | C16 | 90.0° | 96.9° |
| S8 | C5 | C6 | H2 | 0.1° | 0.0° |
| S8 | C5 | C4 | H3 | 0.3° | 0.1° |
| O9 | S8 | O10 | N11 | 118.3° | 122.9° |
| O9 | S8 | N11 | C12 | 167.4° | 163.3° |
| O9 | S8 | N11 | C16 | 31.5° | 16.6° |
| O10 | S8 | N11 | C12 | 83.2° | 30.4° |
| O10 | S8 | N11 | C16 | 140.8° | 149.6° |
| S8 | N11 | C12 | C16 | 136.0° | 179.9° |
| S8 | N11 | C12 | C13 | 141.5° | 93.3° |
| S8 | N11 | C16 | C17 | 112.6° | 100.3° |
| S8 | N11 | C16 | H27 | 127.3° | 139.7° |
| S8 | N11 | C16 | H28 | 7.5° | 19.7° |
| S8 | N11 | C12 | H29 | 21.0° | 26.7° |
| S8 | N11 | C12 | H30 | 98.1° | 146.7° |
| N11 | C12 | C13 | H29 | 120.4° | 120.0° |
| N11 | C12 | C13 | H30 | 120.5° | 120.0° |
| C12 | N11 | C16 | C17 | 110.0° | 79.8° |
| N11 | C12 | C13 | C15 | 175.9° | 175.1° |
| N11 | C12 | C13 | C14 | 61.8° | 64.8° |
| C12 | N11 | C16 | H27 | 10.0° | 40.3° |
| C12 | N11 | C16 | H28 | 129.9° | 160.2° |
| N11 | C12 | H29 | H30 | 118.7° | 120.0° |
| N11 | C12 | C13 | H31 | 57.1° | 55.2° |
| C13 | C12 | N11 | C16 | 82.5° | 86.6° |
| C12 | C13 | C15 | C14 | 123.2° | 120.0° |
| C12 | C13 | C15 | H31 | 118.6° | 120.0° |
| C12 | C13 | C14 | H31 | 118.8° | 120.0° |
| C13 | C12 | H29 | H30 | 118.7° | 120.0° |
| C12 | C13 | C15 | H32 | 180.0° | 60.0° |
| C12 | C13 | C15 | H33 | 60.0° | 180.0° |
| C12 | C13 | C15 | H34 | 60.0° | 59.9° |
| C12 | C13 | C14 | H35 | 180.0° | 67.7° |
| C12 | C13 | C14 | H36 | 60.0° | 172.3° |
| C12 | C13 | C14 | H37 | 60.0° | 52.3° |
| N11 | C16 | C17 | H27 | 120.0° | 120.1° |
| N11 | C16 | C17 | H28 | 120.1° | 120.0° |
| N11 | C16 | C17 | O18 | 171.5° | 66.3° |
| N11 | C16 | C17 | C19 | 69.3° | 173.7° |
| N11 | C16 | C17 | H5 | 52.0° | 53.7° |
| N11 | C16 | H27 | H28 | 119.8° | 120.0° |
| C16 | N11 | C12 | H29 | 157.1° | 153.4° |
| C16 | N11 | C12 | H30 | 37.9° | 33.4° |
| C16 | C17 | C19 | C32 | 64.6° | 65.0° |
| C16 | C17 | O18 | C19 | 126.3° | 120.0° |
| C16 | C17 | O18 | H5 | 118.2° | 119.9° |
| C16 | C17 | C19 | H5 | 121.4° | 120.0° |
| C16 | C17 | C19 | N20 | 177.2° | 175.0° |
| C16 | C17 | C19 | H6 | 55.6° | 55.0° |
| C16 | C17 | O18 | H26 | 180.0° | 64.4° |
| C17 | C16 | H27 | H28 | 119.9° | 120.0° |
| C15 | C13 | C14 | H31 | 118.3° | 120.0° |
| C15 | C13 | C12 | H29 | 63.7° | 55.2° |
| C15 | C13 | C12 | H30 | 55.4° | 64.9° |
| C13 | C15 | H32 | H33 | 120.0° | 120.0° |
| C13 | C15 | H32 | H34 | 120.0° | 120.0° |
| C13 | C15 | H33 | H34 | 120.0° | 120.0° |
| C15 | C13 | C14 | H35 | 57.0° | 172.3° |
| C15 | C13 | C14 | H36 | 177.1° | 52.3° |
| C15 | C13 | C14 | H37 | 63.0° | 67.7° |
| C14 | C13 | C12 | H29 | 58.6° | 175.2° |
| C14 | C13 | C12 | H30 | 177.7° | 55.1° |
| C14 | C13 | C15 | H32 | 56.9° | 60.0° |
| C14 | C13 | C15 | H33 | 63.2° | 60.0° |
| C14 | C13 | C15 | H34 | 176.9° | 179.9° |
| C13 | C14 | H35 | H36 | 120.0° | 120.0° |
| C13 | C14 | H35 | H37 | 120.0° | 120.1° |
| C13 | C14 | H36 | H37 | 120.0° | 120.1° |
| C07 | C32 | C19 | H19 | 120.1° | 120.0° |
| C07 | C32 | C19 | H20 | 120.1° | 120.0° |
| C07 | C32 | C19 | C17 | 172.7° | 175.0° |
| C32 | C07 | C06 | C08 | 179.6° | 179.7° |
| C32 | C07 | C06 | C05 | 179.7° | 179.9° |
| C07 | C32 | C19 | N20 | 52.8° | 65.0° |
| C32 | C07 | C08 | C03 | 179.6° | 179.8° |
| C07 | C32 | C19 | H6 | 67.3° | 55.0° |
| C07 | C32 | H19 | H20 | 119.8° | 120.0° |
| C32 | C07 | C06 | H21 | 0.3° | 0.1° |
| C32 | C07 | C08 | H25 | 0.3° | 0.0° |
| C32 | C19 | C17 | O18 | 57.0° | 55.0° |
| C32 | C19 | C17 | N20 | 118.2° | 120.0° |
| C32 | C19 | C17 | H6 | 120.2° | 120.1° |
| C19 | C32 | C07 | C06 | 74.2° | 89.7° |
| C19 | C32 | C07 | C08 | 105.5° | 90.0° |
| C32 | C19 | N20 | H6 | 119.4° | 120.1° |
| C32 | C19 | N20 | C21 | 123.9° | 85.0° |
| C32 | C19 | C17 | H5 | 173.9° | 175.0° |
| C32 | C19 | N20 | H18 | 56.1° | 95.0° |
| C19 | C32 | H19 | H20 | 119.8° | 120.0° |
| O18 | C17 | C19 | H5 | 116.9° | 120.1° |
| O18 | C17 | C19 | N20 | 61.2° | 65.0° |
| O18 | C17 | C19 | H6 | 177.2° | 175.0° |
| O18 | C17 | C16 | H27 | 51.5° | 173.6° |
| O18 | C17 | C16 | H28 | 68.4° | 53.7° |
| C17 | C19 | N20 | H6 | 120.9° | 119.9° |
| C17 | C19 | N20 | C21 | 116.4° | 155.0° |
| C17 | C19 | N20 | H18 | 63.6° | 25.1° |
| C17 | C19 | C32 | H19 | 67.3° | 65.0° |
| C17 | C19 | C32 | H20 | 52.6° | 55.0° |
| C19 | C17 | O18 | H26 | 53.6° | 55.5° |
| C19 | C17 | C16 | H27 | 170.6° | 53.6° |
| C19 | C17 | C16 | H28 | 50.7° | 66.3° |
| C07 | C06 | C05 | H21 | 180.0° | 180.0° |
| C07 | C06 | C05 | C09 | 0.2° | 0.0° |
| C06 | C07 | C08 | C03 | 0.0° | 0.5° |
| C06 | C07 | C32 | H19 | 45.9° | 150.3° |
| C06 | C07 | C32 | H20 | 165.8° | 30.3° |
| C07 | C06 | C05 | H22 | 179.8° | 179.9° |
| C06 | C07 | C08 | H25 | 180.0° | 179.7° |
| C05 | C06 | C07 | C08 | 0.1° | 0.3° |
| C06 | C05 | C09 | H22 | 180.0° | 179.9° |
| C06 | C05 | C09 | C03 | 0.3° | 0.1° |
| C06 | C05 | C09 | H23 | 179.7° | 180.0° |
| C07 | C08 | C03 | H25 | 180.0° | 179.8° |
| C07 | C08 | C03 | C09 | 0.1° | 0.4° |
| C08 | C07 | C32 | H19 | 134.5° | 30.1° |
| C08 | C07 | C32 | H20 | 14.6° | 150.0° |
| C08 | C07 | C06 | H21 | 179.9° | 179.7° |
| C07 | C08 | C03 | H24 | 179.9° | 179.7° |
| C19 | N20 | C21 | H18 | 180.0° | 179.9° |
| C19 | N20 | C21 | O22 | 8.3° | 0.0° |
| C19 | N20 | C21 | O23 | 173.8° | 180.0° |
| N20 | C19 | C17 | H5 | 55.8° | 55.0° |
| N20 | C19 | C32 | H19 | 172.8° | 55.0° |
| N20 | C19 | C32 | H20 | 67.3° | 175.0° |
| C05 | C09 | C03 | C08 | 0.2° | 0.1° |
| C05 | C09 | C03 | H23 | 180.0° | 179.9° |
| C09 | C05 | C06 | H21 | 179.8° | 180.0° |
| C05 | C09 | C03 | H24 | 179.7° | 180.0° |
| C08 | C03 | C09 | H24 | 180.0° | 179.9° |
| C08 | C03 | C09 | H23 | 179.8° | 179.8° |
| C03 | C09 | C05 | H22 | 179.7° | 180.0° |
| C09 | C03 | C08 | H25 | 179.9° | 179.8° |
| N20 | C21 | O22 | O23 | 164.2° | 180.0° |
| N20 | C21 | O23 | C24 | 179.0° | 180.0° |
| C21 | N20 | C19 | H6 | 4.5° | 35.1° |
| O22 | C21 | O23 | C24 | 13.2° | 0.0° |
| O22 | C21 | N20 | H18 | 171.8° | 180.0° |
| C21 | O23 | C24 | C01 | 107.7° | 90.0° |
| C21 | O23 | C24 | C31 | 136.2° | 149.2° |
| C21 | O23 | C24 | H17 | 13.7° | 29.2° |
| O23 | C21 | N20 | H18 | 6.2° | 0.0° |
| O23 | C24 | C01 | C31 | 117.5° | 119.8° |
| O23 | C24 | C01 | H17 | 122.2° | 119.2° |
| O23 | C24 | C31 | H17 | 123.7° | 119.5° |
| O23 | C24 | C31 | C30 | 41.4° | 55.7° |
| O23 | C24 | C01 | C02 | 63.9° | 176.9° |
| O23 | C24 | C31 | C27 | 71.4° | 169.8° |
| O23 | C24 | C31 | H7 | 163.6° | 67.0° |
| O23 | C24 | C01 | H15 | 175.9° | 57.3° |
| O23 | C24 | C01 | H16 | 56.4° | 63.7° |
| C01 | C24 | C31 | H17 | 120.6° | 120.6° |
| C01 | C24 | C31 | C30 | 157.1° | 64.2° |
| C24 | C01 | C02 | H15 | 120.3° | 119.9° |
| C24 | C01 | C02 | H16 | 120.3° | 119.3° |
| C01 | C24 | C31 | C27 | 44.3° | 49.9° |
| C24 | C01 | C02 | O01 | 61.6° | 61.9° |
| C01 | C24 | C31 | H7 | 80.7° | 173.1° |
| C24 | C01 | C02 | H13 | 178.2° | 178.4° |
| C24 | C01 | C02 | H14 | 58.7° | 57.8° |
| C24 | C01 | H15 | H16 | 119.2° | 120.9° |
| C24 | C31 | C30 | C29 | 105.7° | 156.7° |
| C24 | C31 | C30 | C27 | 122.1° | 120.9° |
| C24 | C31 | C30 | H7 | 121.9° | 122.8° |
| C31 | C24 | C01 | C02 | 53.6° | 57.1° |
| C24 | C31 | C27 | H7 | 124.7° | 123.2° |
| C24 | C31 | C27 | O28 | 81.6° | 159.8° |
| C24 | C31 | C27 | O01 | 40.9° | 46.1° |
| C24 | C31 | C30 | H8 | 134.9° | 38.6° |
| C24 | C31 | C30 | H9 | 13.7° | 85.2° |
| C24 | C31 | C27 | H12 | 161.9° | 79.8° |
| C31 | C24 | C01 | H15 | 66.6° | 62.6° |
| C31 | C24 | C01 | H16 | 173.9° | 176.5° |
| C29 | C30 | C31 | H8 | 119.4° | 118.1° |
| C29 | C30 | C31 | H9 | 119.4° | 118.1° |
| C30 | C29 | O28 | H10 | 119.5° | 119.5° |
| C30 | C29 | O28 | H11 | 119.5° | 119.5° |
| C29 | C30 | C31 | C27 | 16.4° | 35.7° |
| C30 | C29 | O28 | C27 | 32.0° | 4.0° |
| C29 | C30 | C31 | H7 | 132.4° | 80.5° |
| C29 | C30 | H8 | H9 | 121.8° | 123.9° |
| C30 | C29 | H10 | H11 | 121.4° | 121.0° |
| C31 | C30 | C29 | O28 | 8.4° | 20.7° |
| C30 | C31 | C27 | H7 | 116.1° | 116.3° |
| C30 | C31 | C27 | O28 | 37.5° | 39.3° |
| C30 | C31 | C27 | O01 | 160.0° | 74.4° |
| C31 | C30 | H8 | H9 | 121.8° | 123.9° |
| C31 | C30 | C29 | H10 | 127.9° | 140.2° |
| C31 | C30 | C29 | H11 | 111.2° | 98.8° |
| C30 | C31 | C27 | H12 | 78.9° | 159.7° |
| C30 | C31 | C24 | H17 | 82.3° | 175.2° |
| C29 | O28 | C27 | C31 | 44.1° | 27.4° |
| C29 | O28 | C27 | O01 | 169.3° | 89.6° |
| O28 | C29 | C30 | H8 | 127.7° | 97.3° |
| O28 | C29 | C30 | H9 | 111.0° | 138.8° |
| O28 | C29 | H10 | H11 | 121.4° | 120.9° |
| C29 | O28 | C27 | H12 | 71.3° | 147.7° |
| C01 | C02 | O01 | H13 | 120.3° | 119.8° |
| C01 | C02 | O01 | H14 | 120.2° | 119.7° |
| C01 | C02 | O01 | C27 | 56.9° | 63.0° |
| C01 | C02 | H13 | H14 | 119.3° | 120.6° |
| C02 | C01 | H15 | H16 | 119.2° | 120.7° |
| C02 | C01 | C24 | H17 | 173.9° | 63.9° |
| C31 | C27 | O28 | O01 | 125.1° | 117.0° |
| C31 | C27 | O28 | H12 | 115.4° | 120.3° |
| C31 | C27 | O01 | C02 | 46.9° | 54.0° |
| C31 | C27 | O01 | H12 | 120.2° | 125.5° |
| C27 | C31 | C30 | H8 | 103.0° | 82.4° |
| C27 | C31 | C30 | H9 | 135.8° | 153.8° |
| C27 | C31 | C24 | H17 | 164.9° | 70.7° |
| O28 | C27 | O01 | C02 | 73.4° | 166.2° |
| O28 | C27 | O01 | H12 | 119.5° | 122.3° |
| O28 | C27 | C31 | H7 | 153.7° | 76.9° |
| C27 | O28 | C29 | H10 | 151.5° | 115.5° |
| C27 | O28 | C29 | H11 | 87.5° | 123.6° |
| C02 | O01 | C27 | H12 | 167.1° | 71.5° |
| O01 | C02 | H13 | H14 | 119.3° | 120.5° |
| O01 | C02 | C01 | H15 | 58.7° | 58.0° |
| O01 | C02 | C01 | H16 | 178.2° | 178.8° |
| O01 | C27 | C31 | H7 | 83.8° | 169.3° |
| C27 | O01 | C02 | H13 | 177.2° | 177.2° |
| C27 | O01 | C02 | H14 | 63.3° | 56.7° |
| H1 | C7 | C6 | H2 | 0.5° | 0.0° |
| H3 | C4 | C3 | H4 | 0.2° | 0.0° |
| H5 | C17 | C19 | H6 | 65.9° | 64.9° |
| H5 | C17 | O18 | H26 | 61.8° | 175.6° |
| H5 | C17 | C16 | H27 | 68.0° | 66.4° |
| H5 | C17 | C16 | H28 | 172.1° | 173.7° |
| H6 | C19 | N20 | H18 | 175.5° | 145.0° |
| H6 | C19 | C32 | H19 | 52.8° | 175.0° |
| H6 | C19 | C32 | H20 | 172.7° | 65.0° |
| H7 | C31 | C30 | H8 | 13.0° | 161.4° |
| H7 | C31 | C30 | H9 | 108.2° | 37.6° |
| H7 | C31 | C27 | H12 | 37.2° | 43.4° |
| H7 | C31 | C24 | H17 | 39.9° | 52.5° |
| H8 | C30 | C29 | H10 | 112.7° | 22.1° |
| H8 | C30 | C29 | H11 | 8.2° | 143.1° |
| H9 | C30 | C29 | H10 | 8.5° | 101.7° |
| H9 | C30 | C29 | H11 | 129.5° | 19.3° |
| H13 | C02 | C01 | H15 | 61.6° | 61.7° |
| H13 | C02 | C01 | H16 | 57.9° | 59.0° |
| H14 | C02 | C01 | H15 | 178.9° | 177.7° |
| H14 | C02 | C01 | H16 | 61.6° | 61.6° |
| H15 | C01 | C24 | H17 | 53.6° | 176.5° |
| H16 | C01 | C24 | H17 | 65.8° | 55.5° |
| H21 | C06 | C05 | H22 | 0.2° | 0.1° |
| H22 | C05 | C09 | H23 | 0.3° | 0.1° |
| H23 | C09 | C03 | H24 | 0.3° | 0.1° |
| H24 | C03 | C08 | H25 | 0.1° | 0.1° |
| H29 | C12 | C13 | H31 | 177.5° | 64.8° |
| H30 | C12 | C13 | H31 | 63.4° | 175.1° |
| H31 | C13 | C15 | H32 | 61.4° | 179.9° |
| H31 | C13 | C15 | H33 | 178.6° | 60.0° |
| H31 | C13 | C15 | H34 | 58.6° | 60.0° |
| H31 | C13 | C14 | H35 | 61.2° | 52.3° |
| H31 | C13 | C14 | H36 | 58.8° | 67.7° |
| H31 | C13 | C14 | H37 | 178.8° | 172.3° |
| H32 | C15 | H33 | H34 | 120.0° | 120.0° |
| H35 | C14 | H36 | H37 | 120.0° | 119.9° |
| H38 | C04 | H39 | H40 | 120.0° | 120.0° |
