WT0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | S1 | doub | 1.42Å | 1.65Å | |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| O2 | C2 | sing | 1.43Å | 1.49Å | |
| C3 | C2 | sing | 1.53Å | 1.45Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| O4 | C6 | sing | 1.43Å | 1.40Å | |
| C2 | C1 | sing | 1.53Å | 1.46Å | |
| C4 | N1 | sing | 1.47Å | 1.45Å | |
| C1 | O1 | sing | 1.43Å | 1.45Å | |
| C1 | C5 | sing | 1.53Å | 1.56Å | |
| S1 | C15 | sing | 1.82Å | 1.83Å | |
| S1 | O6 | doub | 1.42Å | 1.66Å | |
| S1 | C14 | sing | 1.76Å | 1.80Å | |
| N1 | C7 | sing | 1.47Å | 1.24Å | |
| N1 | C5 | sing | 1.47Å | 1.46Å | |
| C7 | C8 | sing | 1.51Å | 1.55Å | |
| C16 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| BR1 | C17 | sing | 1.89Å | 1.93Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | N2 | sing | 1.40Å | 1.47Å | |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| N2 | C11 | sing | 1.46Å | 1.46Å | |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| C10 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.08Å | 1.08Å | |
| N2 | H24 | sing | 0.97Å | 1.00Å | |
| O1 | H25 | sing | 0.97Å | 0.95Å | |
| O2 | H26 | sing | 0.97Å | 0.95Å | |
| O3 | H27 | sing | 0.97Å | 0.95Å | |
| O4 | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | S1 | C15 | 108.6° | 110.5° |
| O5 | S1 | O6 | 106.5° | 121.0° |
| O5 | S1 | C14 | 109.6° | 104.3° |
| O3 | C3 | C2 | 109.1° | 109.5° |
| O3 | C3 | C4 | 111.3° | 109.5° |
| O3 | C3 | H22 | 109.4° | 109.6° |
| C3 | O3 | H27 | 109.5° | 114.0° |
| O2 | C2 | C3 | 106.0° | 109.6° |
| O2 | C2 | C1 | 111.5° | 109.5° |
| O2 | C2 | H21 | 109.9° | 109.5° |
| C2 | O2 | H26 | 109.5° | 114.0° |
| C2 | C3 | C4 | 110.2° | 109.3° |
| C3 | C2 | C1 | 108.4° | 109.2° |
| C3 | C2 | H21 | 110.5° | 109.5° |
| C2 | C3 | H22 | 109.1° | 109.5° |
| C3 | C4 | N1 | 108.7° | 109.6° |
| C3 | C4 | H2 | 109.7° | 109.5° |
| C3 | C4 | H3 | 109.7° | 109.5° |
| C4 | C3 | H22 | 107.8° | 109.5° |
| O4 | C6 | C5 | 108.0° | 109.4° |
| O4 | C6 | H5 | 109.8° | 109.5° |
| O4 | C6 | H6 | 109.8° | 109.4° |
| C6 | O4 | H28 | 109.5° | 114.0° |
| C2 | C1 | O1 | 112.9° | 109.5° |
| C2 | C1 | C5 | 111.7° | 109.3° |
| C2 | C1 | H15 | 106.8° | 109.5° |
| C1 | C2 | H21 | 110.3° | 109.5° |
| C4 | N1 | C7 | 114.3° | 111.0° |
| C4 | N1 | C5 | 110.8° | 111.2° |
| N1 | C4 | H2 | 109.7° | 109.4° |
| N1 | C4 | H3 | 109.7° | 109.4° |
| O1 | C1 | C5 | 112.2° | 109.5° |
| O1 | C1 | H15 | 107.0° | 109.5° |
| C1 | O1 | H25 | 109.5° | 113.9° |
| C1 | C5 | N1 | 109.9° | 109.6° |
| C1 | C5 | C6 | 108.3° | 109.5° |
| C1 | C5 | H4 | 108.9° | 109.5° |
| C5 | C1 | H15 | 105.8° | 109.5° |
| C15 | S1 | O6 | 117.0° | 110.5° |
| C15 | S1 | C14 | 105.4° | 104.4° |
| S1 | C15 | H10 | 109.5° | 109.5° |
| S1 | C15 | H11 | 109.5° | 109.5° |
| S1 | C15 | H12 | 109.4° | 109.4° |
| O6 | S1 | C14 | 109.6° | 104.3° |
| S1 | C14 | C16 | 115.1° | 119.9° |
| S1 | C14 | C13 | 124.5° | 119.9° |
| C7 | N1 | C5 | 117.0° | 111.0° |
| N1 | C7 | C8 | 113.0° | 109.5° |
| N1 | C7 | H7 | 108.6° | 109.5° |
| N1 | C7 | H8 | 108.6° | 109.5° |
| N1 | C5 | C6 | 110.5° | 109.4° |
| N1 | C5 | H4 | 110.1° | 109.4° |
| C7 | C8 | C9 | 122.4° | 120.0° |
| C7 | C8 | C21 | 119.7° | 120.0° |
| C8 | C7 | H7 | 108.6° | 109.5° |
| C8 | C7 | H8 | 108.6° | 109.4° |
| C14 | C16 | C17 | 119.8° | 120.1° |
| C16 | C14 | C13 | 120.3° | 120.1° |
| C14 | C16 | H18 | 120.1° | 119.9° |
| C16 | C17 | BR1 | 114.9° | 120.0° |
| C16 | C17 | C18 | 121.9° | 120.1° |
| C17 | C16 | H18 | 120.1° | 119.9° |
| BR1 | C17 | C18 | 123.1° | 120.0° |
| C6 | C5 | H4 | 109.2° | 109.4° |
| C5 | C6 | H5 | 109.9° | 109.5° |
| C5 | C6 | H6 | 109.8° | 109.4° |
| C14 | C13 | C12 | 119.5° | 119.9° |
| C14 | C13 | H9 | 120.2° | 120.0° |
| C17 | C18 | C12 | 117.6° | 120.0° |
| C17 | C18 | H19 | 121.2° | 120.1° |
| C13 | C12 | C18 | 120.8° | 119.8° |
| C13 | C12 | N2 | 119.0° | 120.1° |
| C12 | C13 | H9 | 120.2° | 120.0° |
| C9 | C8 | C21 | 117.9° | 120.0° |
| C8 | C9 | C10 | 121.4° | 120.0° |
| C8 | C9 | H23 | 119.3° | 120.0° |
| C8 | C21 | C20 | 120.4° | 120.0° |
| C8 | C21 | H14 | 119.8° | 120.0° |
| C9 | C10 | C11 | 121.5° | 120.0° |
| C9 | C10 | C19 | 120.2° | 120.0° |
| C10 | C9 | H23 | 119.3° | 120.0° |
| C18 | C12 | N2 | 120.1° | 120.1° |
| C12 | C18 | H19 | 121.2° | 120.0° |
| C12 | N2 | C11 | 119.0° | 120.0° |
| C12 | N2 | H24 | 107.0° | 120.0° |
| C21 | C20 | C19 | 121.8° | 120.0° |
| C21 | C20 | H13 | 119.1° | 120.0° |
| C20 | C21 | H14 | 119.8° | 120.0° |
| N2 | C11 | C10 | 113.6° | 109.5° |
| N2 | C11 | H16 | 108.4° | 109.5° |
| N2 | C11 | H17 | 108.4° | 109.5° |
| C11 | N2 | H24 | 107.1° | 120.0° |
| C11 | C10 | C19 | 118.3° | 120.0° |
| C10 | C11 | H16 | 108.4° | 109.4° |
| C10 | C11 | H17 | 108.4° | 109.5° |
| C10 | C19 | C20 | 118.4° | 120.0° |
| C10 | C19 | H20 | 120.8° | 120.0° |
| C19 | C20 | H13 | 119.2° | 120.0° |
| C20 | C19 | H20 | 120.8° | 120.1° |
| H2 | C4 | H3 | 109.5° | 109.4° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.4° | 109.5° |
| H10 | C15 | H12 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.5° | 109.5° |
| H16 | C11 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | S1 | C15 | O6 | 120.5° | 136.7° |
| O5 | S1 | C15 | C14 | 117.3° | 111.6° |
| O5 | S1 | O6 | C14 | 118.4° | 116.8° |
| O5 | S1 | C14 | C16 | 68.3° | 153.9° |
| O5 | S1 | C14 | C13 | 110.8° | 26.0° |
| O5 | S1 | C15 | H10 | 180.0° | 51.6° |
| O5 | S1 | C15 | H11 | 60.0° | 171.6° |
| O5 | S1 | C15 | H12 | 60.0° | 68.4° |
| O3 | C3 | C2 | O2 | 57.0° | 62.4° |
| O3 | C3 | C2 | C4 | 122.4° | 119.9° |
| O3 | C3 | C2 | H22 | 119.5° | 120.1° |
| O3 | C3 | C4 | H22 | 119.9° | 120.2° |
| O3 | C3 | C2 | C1 | 176.8° | 177.6° |
| O3 | C3 | C4 | N1 | 176.7° | 179.1° |
| O3 | C3 | C4 | H2 | 56.8° | 59.1° |
| O3 | C3 | C4 | H3 | 63.4° | 60.9° |
| O3 | C3 | C2 | H21 | 62.1° | 57.7° |
| O2 | C2 | C3 | C1 | 119.8° | 120.0° |
| O2 | C2 | C3 | H21 | 119.1° | 120.2° |
| O2 | C2 | C3 | C4 | 179.4° | 177.6° |
| O2 | C2 | C1 | H21 | 122.4° | 120.1° |
| O2 | C2 | C1 | O1 | 58.4° | 62.4° |
| O2 | C2 | C1 | C5 | 174.2° | 177.6° |
| O2 | C2 | C1 | H15 | 59.0° | 57.7° |
| O2 | C2 | C3 | H22 | 62.5° | 57.7° |
| C2 | C3 | C4 | H22 | 119.0° | 119.9° |
| C3 | C2 | C1 | H21 | 121.2° | 119.8° |
| C2 | C3 | C4 | N1 | 62.2° | 59.1° |
| C3 | C2 | C1 | O1 | 174.7° | 177.5° |
| C3 | C2 | C1 | C5 | 57.8° | 57.6° |
| C2 | C3 | C4 | H2 | 177.9° | 60.8° |
| C2 | C3 | C4 | H3 | 57.7° | 179.2° |
| C3 | C2 | C1 | H15 | 57.4° | 62.3° |
| C3 | C2 | O2 | H26 | 180.0° | 60.2° |
| C2 | C3 | O3 | H27 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 60.8° | 57.6° |
| C3 | C4 | N1 | H2 | 119.9° | 120.1° |
| C3 | C4 | N1 | H3 | 119.9° | 120.0° |
| C3 | C4 | N1 | C7 | 165.7° | 174.2° |
| C3 | C4 | N1 | C5 | 59.5° | 61.7° |
| C3 | C4 | H2 | H3 | 120.3° | 120.0° |
| C4 | C3 | C2 | H21 | 60.3° | 62.2° |
| C4 | C3 | O3 | H27 | 58.2° | 60.2° |
| O4 | C6 | C5 | C1 | 62.4° | 56.6° |
| O4 | C6 | C5 | N1 | 57.9° | 63.6° |
| O4 | C6 | C5 | H5 | 119.7° | 120.0° |
| O4 | C6 | C5 | H6 | 119.8° | 119.9° |
| O4 | C6 | C5 | H4 | 179.2° | 176.6° |
| O4 | C6 | H5 | H6 | 120.6° | 120.0° |
| C2 | C1 | O1 | C5 | 127.2° | 119.8° |
| C2 | C1 | O1 | H15 | 117.2° | 120.1° |
| C2 | C1 | C5 | H15 | 115.8° | 120.0° |
| C2 | C1 | C5 | N1 | 55.6° | 59.1° |
| C2 | C1 | C5 | C6 | 176.3° | 179.2° |
| C2 | C1 | C5 | H4 | 65.1° | 60.9° |
| C1 | C2 | C3 | H22 | 57.3° | 62.3° |
| C2 | C1 | O1 | H25 | 180.0° | 60.2° |
| C1 | C2 | O2 | H26 | 62.2° | 180.0° |
| C4 | N1 | C5 | C1 | 56.4° | 61.7° |
| C4 | N1 | C7 | C5 | 132.0° | 124.3° |
| C4 | N1 | C7 | C8 | 60.7° | 62.4° |
| C4 | N1 | C5 | C6 | 175.8° | 178.2° |
| N1 | C4 | H2 | H3 | 120.4° | 119.9° |
| C4 | N1 | C5 | H4 | 63.5° | 58.4° |
| C4 | N1 | C7 | H7 | 178.8° | 57.6° |
| C4 | N1 | C7 | H8 | 59.9° | 177.7° |
| N1 | C4 | C3 | H22 | 56.7° | 60.8° |
| O1 | C1 | C5 | H15 | 116.3° | 120.1° |
| O1 | C1 | C5 | N1 | 176.6° | 179.1° |
| O1 | C1 | C5 | C6 | 55.8° | 60.8° |
| O1 | C1 | C5 | H4 | 62.8° | 59.1° |
| O1 | C1 | C2 | H21 | 64.1° | 57.7° |
| C1 | C5 | N1 | C7 | 170.1° | 174.2° |
| C1 | C5 | N1 | C6 | 119.4° | 120.1° |
| C1 | C5 | N1 | H4 | 119.9° | 120.0° |
| C1 | C5 | C6 | H4 | 118.4° | 120.0° |
| C1 | C5 | C6 | H5 | 57.3° | 176.6° |
| C1 | C5 | C6 | H6 | 177.8° | 63.3° |
| C5 | C1 | C2 | H21 | 63.4° | 62.2° |
| C5 | C1 | O1 | H25 | 52.7° | 179.9° |
| C15 | S1 | O6 | C14 | 119.9° | 111.7° |
| C15 | S1 | C14 | C16 | 48.4° | 90.0° |
| C15 | S1 | C14 | C13 | 132.5° | 90.0° |
| S1 | C15 | H10 | H11 | 120.0° | 120.0° |
| S1 | C15 | H10 | H12 | 120.0° | 120.0° |
| S1 | C15 | H11 | H12 | 120.0° | 120.0° |
| O6 | S1 | C14 | C16 | 175.2° | 26.0° |
| O6 | S1 | C14 | C13 | 5.7° | 153.9° |
| O6 | S1 | C15 | H10 | 59.5° | 171.6° |
| O6 | S1 | C15 | H11 | 60.5° | 51.6° |
| O6 | S1 | C15 | H12 | 179.5° | 68.4° |
| S1 | C14 | C16 | C13 | 179.1° | 180.0° |
| S1 | C14 | C16 | C17 | 178.9° | 180.0° |
| S1 | C14 | C13 | C12 | 178.7° | 179.9° |
| S1 | C14 | C13 | H9 | 1.3° | 0.3° |
| C14 | S1 | C15 | H10 | 62.7° | 60.0° |
| C14 | S1 | C15 | H11 | 177.4° | 60.0° |
| C14 | S1 | C15 | H12 | 57.4° | 180.0° |
| S1 | C14 | C16 | H18 | 1.1° | 0.0° |
| N1 | C7 | C8 | H7 | 120.5° | 120.0° |
| N1 | C7 | C8 | H8 | 120.5° | 120.0° |
| C7 | N1 | C5 | C6 | 50.6° | 54.1° |
| N1 | C7 | C8 | C9 | 90.9° | 90.0° |
| N1 | C7 | C8 | C21 | 88.6° | 89.7° |
| C7 | N1 | C4 | H2 | 45.8° | 65.8° |
| C7 | N1 | C4 | H3 | 74.4° | 54.1° |
| C7 | N1 | C5 | H4 | 70.0° | 65.8° |
| N1 | C7 | H7 | H8 | 118.4° | 120.0° |
| C5 | N1 | C7 | C8 | 71.3° | 173.4° |
| N1 | C5 | C6 | H4 | 121.2° | 119.9° |
| C5 | N1 | C4 | H2 | 179.4° | 58.4° |
| C5 | N1 | C4 | H3 | 60.4° | 178.3° |
| N1 | C5 | C6 | H5 | 177.7° | 56.5° |
| N1 | C5 | C6 | H6 | 61.8° | 176.5° |
| C5 | N1 | C7 | H7 | 49.2° | 66.7° |
| C5 | N1 | C7 | H8 | 168.2° | 53.4° |
| N1 | C5 | C1 | H15 | 60.2° | 60.9° |
| C7 | C8 | C9 | C21 | 179.4° | 179.7° |
| C7 | C8 | C9 | C10 | 178.3° | 180.0° |
| C7 | C8 | C21 | C20 | 178.9° | 179.9° |
| C8 | C7 | H7 | H8 | 118.4° | 120.0° |
| C7 | C8 | C21 | H14 | 1.1° | 0.0° |
| C7 | C8 | C9 | H23 | 1.8° | 0.0° |
| C14 | C16 | C17 | H18 | 180.0° | 180.0° |
| C14 | C16 | C17 | BR1 | 179.0° | 179.7° |
| C14 | C16 | C17 | C18 | 0.3° | 0.3° |
| C16 | C14 | C13 | C12 | 0.3° | 0.0° |
| C16 | C14 | C13 | H9 | 179.7° | 179.7° |
| C16 | C17 | BR1 | C18 | 179.2° | 179.4° |
| C17 | C16 | C14 | C13 | 0.3° | 0.0° |
| C16 | C17 | C18 | C12 | 0.3° | 0.6° |
| C16 | C17 | C18 | H19 | 179.7° | 180.0° |
| BR1 | C17 | C18 | C12 | 178.9° | 180.0° |
| BR1 | C17 | C16 | H18 | 1.0° | 0.3° |
| BR1 | C17 | C18 | H19 | 1.1° | 0.6° |
| C5 | C6 | H5 | H6 | 120.7° | 120.0° |
| C6 | C5 | C1 | H15 | 60.5° | 59.2° |
| C5 | C6 | O4 | H28 | 180.0° | 180.0° |
| C14 | C13 | C12 | H9 | 180.0° | 179.7° |
| C14 | C13 | C12 | C18 | 0.4° | 0.4° |
| C14 | C13 | C12 | N2 | 180.0° | 179.8° |
| C13 | C14 | C16 | H18 | 179.7° | 180.0° |
| C17 | C18 | C12 | C13 | 0.4° | 0.6° |
| C17 | C18 | C12 | H19 | 180.0° | 179.4° |
| C17 | C18 | C12 | N2 | 180.0° | 179.5° |
| C18 | C17 | C16 | H18 | 179.7° | 179.7° |
| C13 | C12 | C18 | N2 | 179.7° | 179.9° |
| C13 | C12 | N2 | C11 | 1.3° | 179.9° |
| C13 | C12 | C18 | H19 | 179.6° | 180.0° |
| C13 | C12 | N2 | H24 | 122.7° | 0.1° |
| C8 | C9 | C10 | H23 | 180.0° | 180.0° |
| C9 | C8 | C21 | C20 | 0.6° | 0.3° |
| C8 | C9 | C10 | C11 | 179.5° | 180.0° |
| C8 | C9 | C10 | C19 | 1.3° | 0.1° |
| C9 | C8 | C7 | H7 | 148.6° | 30.0° |
| C9 | C8 | C7 | H8 | 29.7° | 150.0° |
| C9 | C8 | C21 | H14 | 179.5° | 179.8° |
| C21 | C8 | C9 | C10 | 1.2° | 0.3° |
| C8 | C21 | C20 | H14 | 180.0° | 179.9° |
| C8 | C21 | C20 | C19 | 0.1° | 0.0° |
| C21 | C8 | C7 | H7 | 31.9° | 150.3° |
| C21 | C8 | C7 | H8 | 150.9° | 30.3° |
| C8 | C21 | C20 | H13 | 179.9° | 179.7° |
| C21 | C8 | C9 | H23 | 178.8° | 179.7° |
| C9 | C10 | C11 | N2 | 76.1° | 90.0° |
| C9 | C10 | C11 | C19 | 178.2° | 179.9° |
| C9 | C10 | C19 | C20 | 0.8° | 0.4° |
| C9 | C10 | C11 | H16 | 44.5° | 30.0° |
| C9 | C10 | C11 | H17 | 163.3° | 150.0° |
| C9 | C10 | C19 | H20 | 179.2° | 180.0° |
| C18 | C12 | N2 | C11 | 178.4° | 0.1° |
| C18 | C12 | C13 | H9 | 179.6° | 180.0° |
| C18 | C12 | N2 | H24 | 57.0° | 180.0° |
| C12 | N2 | C11 | H24 | 121.4° | 180.0° |
| C12 | N2 | C11 | C10 | 131.0° | 180.0° |
| N2 | C12 | C13 | H9 | 0.0° | 0.1° |
| C12 | N2 | C11 | H16 | 10.4° | 60.0° |
| C12 | N2 | C11 | H17 | 108.4° | 60.0° |
| N2 | C12 | C18 | H19 | 0.0° | 0.1° |
| C21 | C20 | C19 | C10 | 0.2° | 0.3° |
| C21 | C20 | C19 | H13 | 180.0° | 179.7° |
| C21 | C20 | C19 | H20 | 179.8° | 179.9° |
| N2 | C11 | C10 | H16 | 120.6° | 120.0° |
| N2 | C11 | C10 | H17 | 120.6° | 120.0° |
| N2 | C11 | C10 | C19 | 105.7° | 90.0° |
| N2 | C11 | H16 | H17 | 118.1° | 120.0° |
| C11 | C10 | C19 | C20 | 179.1° | 179.7° |
| C10 | C11 | H16 | H17 | 118.1° | 120.0° |
| C11 | C10 | C19 | H20 | 0.9° | 0.1° |
| C11 | C10 | C9 | H23 | 0.4° | 0.0° |
| C10 | C11 | N2 | H24 | 107.7° | 0.0° |
| C10 | C19 | C20 | H20 | 180.0° | 179.6° |
| C10 | C19 | C20 | H13 | 179.8° | 180.0° |
| C19 | C10 | C11 | H16 | 133.7° | 150.0° |
| C19 | C10 | C11 | H17 | 14.9° | 30.0° |
| C19 | C10 | C9 | H23 | 178.7° | 180.0° |
| C19 | C20 | C21 | H14 | 180.0° | 179.9° |
| H2 | C4 | C3 | H22 | 63.2° | 179.2° |
| H3 | C4 | C3 | H22 | 176.6° | 59.3° |
| H4 | C5 | C6 | H5 | 61.1° | 63.4° |
| H4 | C5 | C6 | H6 | 59.4° | 56.7° |
| H4 | C5 | C1 | H15 | 179.1° | 179.2° |
| H5 | C6 | O4 | H28 | 60.2° | 59.9° |
| H6 | C6 | O4 | H28 | 60.2° | 60.1° |
| H10 | C15 | H11 | H12 | 120.0° | 120.0° |
| H13 | C20 | C21 | H14 | 0.0° | 0.2° |
| H13 | C20 | C19 | H20 | 0.2° | 0.4° |
| H15 | C1 | C2 | H21 | 178.6° | 177.8° |
| H15 | C1 | O1 | H25 | 62.8° | 59.9° |
| H16 | C11 | N2 | H24 | 131.7° | 120.0° |
| H17 | C11 | N2 | H24 | 13.0° | 120.0° |
| H21 | C2 | C3 | H22 | 178.4° | 177.8° |
| H21 | C2 | O2 | H26 | 60.5° | 59.9° |
| H22 | C3 | O3 | H27 | 60.7° | 59.9° |
