5WE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O37 | C30 | doub | 1.21Å | 1.22Å | |
| C32 | C31 | sing | 1.53Å | 1.34Å | |
| C2 | C3 | doub | 1.35Å | 1.34Å | Aromatic |
| C2 | N1 | sing | 1.34Å | 1.34Å | Aromatic |
| C3 | N6 | sing | 1.37Å | 1.37Å | Aromatic |
| C30 | C31 | sing | 1.51Å | 1.48Å | |
| C30 | N14 | sing | 1.35Å | 1.35Å | |
| C10 | N14 | sing | 1.47Å | 1.47Å | |
| C10 | C11 | sing | 1.54Å | 1.54Å | |
| C10 | C7 | sing | 1.51Å | 1.51Å | |
| N14 | C13 | sing | 1.47Å | 1.48Å | |
| N1 | C4 | doub | 1.32Å | 1.33Å | Aromatic |
| N6 | C7 | sing | 1.35Å | 1.34Å | Aromatic |
| N6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.55Å | 1.55Å | |
| C7 | N8 | doub | 1.31Å | 1.30Å | Aromatic |
| C13 | C12 | sing | 1.55Å | 1.55Å | |
| C4 | C5 | sing | 1.41Å | 1.42Å | Aromatic |
| C4 | N15 | sing | 1.38Å | 1.38Å | |
| C5 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| N8 | C9 | sing | 1.34Å | 1.35Å | Aromatic |
| C9 | C16 | sing | 1.48Å | 1.48Å | |
| C17 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.37Å | 1.37Å | Aromatic |
| C16 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| C18 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C21 | C20 | doub | 1.37Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | C22 | sing | 1.47Å | 1.47Å | |
| C22 | N23 | sing | 1.35Å | 1.35Å | |
| C22 | O24 | doub | 1.22Å | 1.21Å | |
| N23 | C25 | sing | 1.39Å | 1.39Å | |
| C25 | N29 | doub | 1.30Å | 1.29Å | Aromatic |
| C25 | S26 | sing | 1.71Å | 1.72Å | Aromatic |
| N29 | C28 | sing | 1.32Å | 1.32Å | Aromatic |
| S26 | C27 | sing | 1.76Å | 1.76Å | Aromatic |
| C28 | C27 | doub | 1.33Å | 1.33Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| N15 | H7 | sing | 0.97Å | 1.00Å | |
| N15 | H8 | sing | 0.97Å | 1.00Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C31 | H13 | sing | 1.09Å | 1.10Å | |
| C32 | H14 | sing | 1.09Å | 1.10Å | |
| C32 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| N23 | H19 | sing | 0.97Å | 1.00Å | |
| C28 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| C32 | C1 | sing | 1.53Å | 39.45Å | |
| C1 | N2 | sing | 1.47Å | 0.00Å | |
| N2 | C8 | sing | 1.47Å | 0.00Å | |
| N2 | C14 | sing | 1.47Å | 0.00Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | H23 | sing | 1.09Å | 0.00Å | |
| C1 | H24 | sing | 1.09Å | 0.00Å | |
| C8 | H25 | sing | 1.09Å | 0.00Å | |
| C8 | H26 | sing | 1.09Å | 0.00Å | |
| C8 | H27 | sing | 1.09Å | 0.00Å | |
| C14 | H28 | sing | 1.09Å | 0.00Å | |
| C14 | H29 | sing | 1.09Å | 0.00Å | |
| C14 | H30 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O37 | C30 | C31 | 120.2° | 120.0° |
| O37 | C30 | N14 | 118.9° | 120.0° |
| C32 | C31 | C30 | 120.9° | 109.5° |
| C32 | C31 | H13 | 106.6° | 109.5° |
| C31 | C32 | H14 | 115.2° | 109.5° |
| C31 | C32 | H15 | 115.2° | 109.4° |
| C31 | C32 | C1 | 85.1° | 109.5° |
| C32 | C31 | H22 | 106.5° | 109.4° |
| C3 | C2 | N1 | 121.0° | 121.6° |
| C2 | C3 | N6 | 119.9° | 119.8° |
| C3 | C2 | H1 | 119.5° | 119.1° |
| C2 | C3 | H2 | 120.1° | 120.1° |
| C2 | N1 | C4 | 121.7° | 121.2° |
| N1 | C2 | H1 | 119.5° | 119.3° |
| C3 | N6 | C7 | 132.3° | 134.1° |
| C3 | N6 | C5 | 119.9° | 118.7° |
| N6 | C3 | H2 | 120.1° | 120.1° |
| C31 | C30 | N14 | 120.9° | 120.0° |
| C30 | C31 | H13 | 106.5° | 109.5° |
| C30 | C31 | H22 | 106.6° | 109.5° |
| C30 | N14 | C10 | 125.2° | 125.6° |
| C30 | N14 | C13 | 126.2° | 125.7° |
| N14 | C10 | C11 | 106.2° | 107.3° |
| N14 | C10 | C7 | 111.5° | 109.9° |
| C10 | N14 | C13 | 108.6° | 108.7° |
| N14 | C10 | H18 | 110.0° | 109.9° |
| C11 | C10 | C7 | 110.7° | 109.9° |
| C10 | C11 | C12 | 101.4° | 102.9° |
| C10 | C11 | H16 | 111.4° | 110.8° |
| C10 | C11 | H17 | 111.4° | 110.8° |
| C11 | C10 | H18 | 109.0° | 109.9° |
| C10 | C7 | N6 | 124.7° | 125.1° |
| C10 | C7 | N8 | 125.9° | 125.2° |
| C7 | C10 | H18 | 109.4° | 110.0° |
| N14 | C13 | C12 | 106.1° | 104.9° |
| N14 | C13 | H5 | 110.3° | 110.4° |
| N14 | C13 | H6 | 110.3° | 110.5° |
| N1 | C4 | C5 | 119.6° | 119.4° |
| N1 | C4 | N15 | 118.4° | 120.3° |
| C7 | N6 | C5 | 107.8° | 107.2° |
| N6 | C7 | N8 | 109.4° | 109.8° |
| N6 | C5 | C4 | 117.8° | 119.2° |
| N6 | C5 | C9 | 105.6° | 106.2° |
| C11 | C12 | C13 | 102.0° | 101.6° |
| C11 | C12 | H3 | 111.3° | 111.0° |
| C11 | C12 | H4 | 111.3° | 111.0° |
| C12 | C11 | H16 | 111.4° | 110.8° |
| C12 | C11 | H17 | 111.4° | 110.7° |
| C7 | N8 | C9 | 110.2° | 109.7° |
| C13 | C12 | H3 | 111.3° | 111.1° |
| C13 | C12 | H4 | 111.3° | 111.0° |
| C12 | C13 | H5 | 110.3° | 110.4° |
| C12 | C13 | H6 | 110.3° | 110.4° |
| C5 | C4 | N15 | 121.0° | 120.3° |
| C4 | C5 | C9 | 136.6° | 134.6° |
| C4 | N15 | H7 | 109.5° | 120.0° |
| C4 | N15 | H8 | 109.4° | 120.0° |
| C5 | C9 | N8 | 106.7° | 107.1° |
| C5 | C9 | C16 | 130.3° | 126.5° |
| N8 | C9 | C16 | 122.6° | 126.4° |
| C9 | C16 | C17 | 121.5° | 120.0° |
| C9 | C16 | C21 | 119.4° | 120.0° |
| C16 | C17 | C18 | 120.5° | 120.0° |
| C17 | C16 | C21 | 119.1° | 120.0° |
| C16 | C17 | H9 | 119.8° | 120.0° |
| C17 | C18 | C19 | 120.5° | 120.0° |
| C18 | C17 | H9 | 119.8° | 120.0° |
| C17 | C18 | H10 | 119.7° | 120.0° |
| C16 | C21 | C20 | 120.6° | 120.0° |
| C16 | C21 | H12 | 119.7° | 120.0° |
| C18 | C19 | C20 | 119.3° | 120.0° |
| C18 | C19 | C22 | 118.3° | 120.0° |
| C19 | C18 | H10 | 119.8° | 120.0° |
| C21 | C20 | C19 | 119.9° | 120.0° |
| C21 | C20 | H11 | 120.0° | 120.0° |
| C20 | C21 | H12 | 119.7° | 119.9° |
| C20 | C19 | C22 | 122.2° | 120.0° |
| C19 | C20 | H11 | 120.0° | 120.0° |
| C19 | C22 | N23 | 122.1° | 120.0° |
| C19 | C22 | O24 | 118.1° | 120.0° |
| N23 | C22 | O24 | 119.7° | 120.0° |
| C22 | N23 | C25 | 121.0° | 120.0° |
| C22 | N23 | H19 | 119.5° | 120.0° |
| N23 | C25 | N29 | 123.5° | 125.0° |
| N23 | C25 | S26 | 126.4° | 124.9° |
| C25 | N23 | H19 | 119.5° | 120.0° |
| N29 | C25 | S26 | 110.1° | 110.1° |
| C25 | N29 | C28 | 117.0° | 116.9° |
| C25 | S26 | C27 | 90.0° | 90.4° |
| N29 | C28 | C27 | 114.5° | 114.6° |
| N29 | C28 | H20 | 122.8° | 122.7° |
| S26 | C27 | C28 | 108.5° | 108.1° |
| S26 | C27 | H21 | 125.7° | 125.9° |
| C27 | C28 | H20 | 122.8° | 122.7° |
| C28 | C27 | H21 | 125.8° | 126.0° |
| H3 | C12 | H4 | 109.4° | 110.9° |
| H5 | C13 | H6 | 109.5° | 110.3° |
| H7 | N15 | H8 | 109.5° | 120.0° |
| H13 | C31 | H22 | 109.5° | 109.4° |
| H14 | C32 | H15 | 109.5° | 109.5° |
| H14 | C32 | C1 | 115.1° | 109.5° |
| H15 | C32 | C1 | 115.2° | 109.5° |
| H16 | C11 | H17 | 109.5° | 110.6° |
| C32 | C1 | N2 | 90.0° | 109.5° |
| C32 | C1 | H23 | 90.0° | 109.4° |
| C32 | C1 | H24 | 90.0° | 109.5° |
| C1 | N2 | C8 | 90.0° | 111.0° |
| C1 | N2 | C14 | 90.0° | 111.0° |
| N2 | C1 | H23 | 90.0° | 109.5° |
| N2 | C1 | H24 | 90.0° | 109.5° |
| C8 | N2 | C14 | 90.0° | 111.0° |
| N2 | C8 | H25 | 90.0° | 109.5° |
| N2 | C8 | H26 | 90.0° | 109.4° |
| N2 | C8 | H27 | 90.0° | 109.5° |
| N2 | C14 | H28 | 90.0° | 109.4° |
| N2 | C14 | H29 | 90.0° | 109.5° |
| N2 | C14 | H30 | 90.0° | 109.5° |
| H23 | C1 | H24 | 90.0° | 109.4° |
| H25 | C8 | H26 | 90.0° | 109.5° |
| H25 | C8 | H27 | 90.0° | 109.5° |
| H26 | C8 | H27 | 90.0° | 109.5° |
| H28 | C14 | H29 | 90.0° | 109.4° |
| H28 | C14 | H30 | 90.0° | 109.4° |
| H29 | C14 | H30 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O37 | C30 | C31 | C32 | 0.5° | 0.1° |
| O37 | C30 | C31 | N14 | 179.7° | 179.9° |
| O37 | C30 | N14 | C10 | 0.7° | 0.1° |
| O37 | C30 | N14 | C13 | 179.8° | 180.0° |
| O37 | C30 | C31 | H13 | 122.1° | 120.0° |
| O37 | C30 | C31 | H22 | 121.1° | 120.0° |
| C32 | C31 | C30 | H13 | 121.6° | 120.1° |
| C32 | C31 | C30 | H22 | 121.6° | 120.0° |
| C32 | C31 | C30 | N14 | 179.8° | 180.0° |
| C32 | C31 | H13 | H22 | 114.8° | 119.9° |
| C31 | C32 | H14 | H15 | 131.7° | 119.9° |
| C31 | C32 | H14 | C1 | 96.7° | 120.1° |
| C31 | C32 | H15 | C1 | 96.7° | 120.1° |
| C31 | C32 | C1 | N2 | 90.0° | 180.0° |
| C31 | C32 | C1 | H23 | 90.0° | 60.0° |
| C31 | C32 | C1 | H24 | 90.0° | 60.0° |
| C3 | C2 | N1 | H1 | 180.0° | 179.7° |
| C2 | C3 | N6 | H2 | 180.0° | 180.0° |
| C3 | C2 | N1 | C4 | 5.0° | 0.1° |
| C2 | C3 | N6 | C7 | 178.0° | 180.0° |
| C2 | C3 | N6 | C5 | 1.3° | 0.1° |
| N1 | C2 | C3 | N6 | 4.0° | 0.0° |
| C2 | N1 | C4 | C5 | 3.3° | 0.1° |
| C2 | N1 | C4 | N15 | 171.9° | 180.0° |
| N1 | C2 | C3 | H2 | 176.0° | 180.0° |
| C3 | N6 | C7 | C10 | 1.6° | 0.0° |
| C3 | N6 | C7 | C5 | 179.4° | 179.9° |
| C3 | N6 | C7 | N8 | 175.5° | 179.9° |
| C3 | N6 | C5 | C4 | 0.3° | 0.1° |
| C3 | N6 | C5 | C9 | 179.1° | 179.9° |
| N6 | C3 | C2 | H1 | 176.0° | 179.7° |
| C31 | C30 | N14 | C10 | 179.7° | 180.0° |
| C31 | C30 | N14 | C13 | 0.2° | 0.1° |
| C30 | C31 | H13 | H22 | 114.9° | 120.0° |
| C30 | C31 | C32 | H14 | 157.0° | 59.9° |
| C30 | C31 | C32 | H15 | 28.1° | 60.0° |
| C30 | C31 | C32 | C1 | 87.4° | 180.0° |
| C30 | N14 | C10 | C13 | 179.6° | 179.9° |
| C30 | N14 | C10 | C11 | 163.1° | 178.8° |
| C30 | N14 | C10 | C7 | 76.2° | 61.7° |
| C30 | N14 | C13 | C12 | 171.7° | 155.8° |
| C30 | N14 | C13 | H5 | 68.8° | 85.4° |
| C30 | N14 | C13 | H6 | 52.2° | 36.9° |
| N14 | C30 | C31 | H13 | 58.2° | 59.9° |
| C30 | N14 | C10 | H18 | 45.4° | 59.4° |
| N14 | C30 | C31 | H22 | 58.6° | 60.1° |
| N14 | C10 | C11 | C7 | 121.2° | 119.4° |
| N14 | C10 | C11 | H18 | 118.4° | 119.4° |
| N14 | C10 | C7 | H18 | 121.9° | 121.1° |
| N14 | C10 | C7 | N6 | 153.0° | 135.0° |
| N14 | C10 | C11 | C12 | 34.7° | 22.2° |
| N14 | C10 | C7 | N8 | 23.7° | 45.0° |
| C10 | N14 | C13 | C12 | 8.7° | 24.1° |
| C10 | N14 | C13 | H5 | 110.7° | 94.7° |
| C10 | N14 | C13 | H6 | 128.2° | 143.0° |
| N14 | C10 | C11 | H16 | 153.4° | 140.6° |
| N14 | C10 | C11 | H17 | 84.0° | 96.2° |
| C11 | C10 | C7 | H18 | 120.1° | 121.1° |
| C11 | C10 | N14 | C13 | 16.5° | 1.1° |
| C11 | C10 | C7 | N6 | 89.0° | 107.2° |
| C10 | C11 | C12 | H16 | 118.7° | 118.4° |
| C10 | C11 | C12 | H17 | 118.7° | 118.5° |
| C11 | C10 | C7 | N8 | 94.3° | 72.8° |
| C10 | C11 | C12 | C13 | 38.7° | 35.5° |
| C10 | C11 | C12 | H3 | 80.1° | 82.7° |
| C10 | C11 | C12 | H4 | 157.5° | 153.6° |
| C10 | C11 | H16 | H17 | 123.8° | 123.3° |
| C7 | C10 | N14 | C13 | 104.2° | 118.4° |
| C10 | C7 | N6 | N8 | 177.2° | 180.0° |
| C10 | C7 | N6 | C5 | 179.0° | 179.9° |
| C7 | C10 | C11 | C12 | 86.5° | 141.6° |
| C10 | C7 | N8 | C9 | 176.9° | 179.9° |
| C7 | C10 | C11 | H16 | 32.2° | 100.0° |
| C7 | C10 | C11 | H17 | 154.8° | 23.2° |
| N14 | C13 | C12 | C11 | 30.0° | 37.0° |
| N14 | C13 | C12 | H5 | 119.4° | 118.8° |
| N14 | C13 | C12 | H6 | 119.5° | 119.0° |
| N14 | C13 | C12 | H3 | 88.8° | 81.1° |
| N14 | C13 | C12 | H4 | 148.8° | 155.1° |
| N14 | C13 | H5 | H6 | 121.6° | 122.4° |
| C13 | N14 | C10 | H18 | 134.2° | 120.5° |
| N1 | C4 | C5 | N6 | 0.7° | 0.0° |
| N1 | C4 | C5 | N15 | 168.3° | 179.9° |
| N1 | C4 | C5 | C9 | 179.7° | 180.0° |
| C4 | N1 | C2 | H1 | 175.0° | 179.8° |
| N1 | C4 | N15 | H7 | 0.0° | 159.7° |
| N1 | C4 | N15 | H8 | 120.0° | 20.3° |
| C7 | N6 | C5 | C4 | 179.7° | 180.0° |
| C7 | N6 | C5 | C9 | 0.4° | 0.0° |
| N6 | C7 | N8 | C9 | 5.9° | 0.1° |
| C7 | N6 | C3 | H2 | 2.0° | 0.1° |
| N6 | C7 | C10 | H18 | 31.1° | 13.9° |
| C5 | N6 | C7 | N8 | 3.9° | 0.1° |
| N6 | C5 | C4 | C9 | 179.0° | 180.0° |
| N6 | C5 | C4 | N15 | 169.0° | 179.9° |
| N6 | C5 | C9 | N8 | 3.0° | 0.0° |
| N6 | C5 | C9 | C16 | 175.4° | 179.9° |
| C5 | N6 | C3 | H2 | 178.7° | 180.0° |
| C11 | C12 | C13 | H3 | 118.8° | 118.1° |
| C11 | C12 | C13 | H4 | 118.8° | 118.1° |
| C11 | C12 | H3 | H4 | 123.5° | 123.8° |
| C11 | C12 | C13 | H5 | 89.4° | 81.8° |
| C11 | C12 | C13 | H6 | 149.5° | 156.0° |
| C12 | C11 | H16 | H17 | 123.7° | 123.2° |
| C12 | C11 | C10 | H18 | 153.1° | 97.2° |
| C7 | N8 | C9 | C5 | 5.5° | 0.0° |
| C7 | N8 | C9 | C16 | 178.6° | 180.0° |
| N8 | C7 | C10 | H18 | 145.6° | 166.1° |
| C13 | C12 | H3 | H4 | 123.5° | 123.9° |
| C12 | C13 | H5 | H6 | 121.5° | 122.2° |
| C13 | C12 | C11 | H16 | 157.3° | 153.9° |
| C13 | C12 | C11 | H17 | 80.0° | 83.0° |
| C4 | C5 | C9 | N8 | 176.1° | 180.0° |
| C4 | C5 | C9 | C16 | 3.7° | 0.1° |
| C5 | C4 | N15 | H7 | 168.4° | 20.2° |
| C5 | C4 | N15 | H8 | 48.4° | 159.8° |
| N15 | C4 | C5 | C9 | 12.0° | 0.1° |
| C4 | N15 | H7 | H8 | 120.0° | 180.0° |
| C5 | C9 | N8 | C16 | 173.1° | 179.9° |
| C5 | C9 | C16 | C17 | 33.0° | 45.4° |
| C5 | C9 | C16 | C21 | 148.6° | 134.9° |
| N8 | C9 | C16 | C17 | 138.3° | 134.6° |
| N8 | C9 | C16 | C21 | 40.1° | 45.1° |
| C9 | C16 | C17 | C21 | 178.5° | 179.7° |
| C9 | C16 | C17 | C18 | 179.5° | 179.7° |
| C9 | C16 | C21 | C20 | 179.2° | 179.7° |
| C9 | C16 | C17 | H9 | 0.5° | 0.3° |
| C9 | C16 | C21 | H12 | 0.8° | 0.2° |
| C16 | C17 | C18 | H9 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.5° | 0.0° |
| C17 | C16 | C21 | C20 | 0.7° | 0.0° |
| C16 | C17 | C18 | H10 | 179.5° | 180.0° |
| C17 | C16 | C21 | H12 | 179.3° | 180.0° |
| C18 | C17 | C16 | C21 | 1.0° | 0.0° |
| C17 | C18 | C19 | H10 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 2.3° | 0.0° |
| C17 | C18 | C19 | C22 | 177.5° | 180.0° |
| C16 | C21 | C20 | H12 | 180.0° | 179.9° |
| C16 | C21 | C20 | C19 | 1.1° | 0.0° |
| C21 | C16 | C17 | H9 | 179.0° | 180.0° |
| C16 | C21 | C20 | H11 | 179.0° | 180.0° |
| C18 | C19 | C20 | C21 | 2.5° | 0.0° |
| C18 | C19 | C20 | C22 | 175.1° | 180.0° |
| C18 | C19 | C22 | N23 | 39.9° | 180.0° |
| C18 | C19 | C22 | O24 | 135.9° | 0.0° |
| C19 | C18 | C17 | H9 | 179.5° | 179.9° |
| C18 | C19 | C20 | H11 | 177.5° | 180.0° |
| C21 | C20 | C19 | H11 | 180.0° | 180.0° |
| C21 | C20 | C19 | C22 | 177.6° | 180.0° |
| C20 | C19 | C22 | N23 | 145.0° | 0.0° |
| C20 | C19 | C22 | O24 | 39.2° | 180.0° |
| C20 | C19 | C18 | H10 | 177.7° | 180.0° |
| C19 | C20 | C21 | H12 | 179.0° | 180.0° |
| C19 | C22 | N23 | O24 | 175.8° | 180.0° |
| C19 | C22 | N23 | C25 | 175.9° | 180.0° |
| C22 | C19 | C18 | H10 | 2.4° | 0.0° |
| C22 | C19 | C20 | H11 | 2.4° | 0.0° |
| C19 | C22 | N23 | H19 | 4.1° | 0.0° |
| C22 | N23 | C25 | H19 | 180.0° | 179.9° |
| C22 | N23 | C25 | N29 | 177.8° | 180.0° |
| C22 | N23 | C25 | S26 | 0.7° | 0.3° |
| O24 | C22 | N23 | C25 | 0.1° | 0.0° |
| O24 | C22 | N23 | H19 | 179.9° | 180.0° |
| N23 | C25 | N29 | S26 | 177.5° | 179.7° |
| N23 | C25 | N29 | C28 | 178.3° | 180.0° |
| N23 | C25 | S26 | C27 | 178.1° | 180.0° |
| N29 | C25 | S26 | C27 | 0.7° | 0.3° |
| C25 | N29 | C28 | C27 | 0.5° | 0.1° |
| N29 | C25 | N23 | H19 | 2.2° | 0.1° |
| C25 | N29 | C28 | H20 | 179.5° | 179.9° |
| S26 | C25 | N29 | C28 | 0.8° | 0.3° |
| C25 | S26 | C27 | C28 | 0.4° | 0.2° |
| S26 | C25 | N23 | H19 | 179.3° | 179.7° |
| C25 | S26 | C27 | H21 | 179.6° | 180.0° |
| N29 | C28 | C27 | S26 | 0.0° | 0.1° |
| N29 | C28 | C27 | H20 | 180.0° | 179.9° |
| N29 | C28 | C27 | H21 | 179.9° | 179.9° |
| S26 | C27 | C28 | H21 | 180.0° | 179.8° |
| S26 | C27 | C28 | H20 | 180.0° | 179.8° |
| H1 | C2 | C3 | H2 | 4.0° | 0.3° |
| H3 | C12 | C13 | H5 | 151.8° | 160.1° |
| H3 | C12 | C13 | H6 | 30.7° | 37.9° |
| H3 | C12 | C11 | H16 | 38.5° | 35.8° |
| H3 | C12 | C11 | H17 | 161.2° | 158.9° |
| H4 | C12 | C13 | H5 | 29.4° | 36.3° |
| H4 | C12 | C13 | H6 | 91.7° | 85.9° |
| H4 | C12 | C11 | H16 | 83.9° | 88.0° |
| H4 | C12 | C11 | H17 | 38.8° | 35.1° |
| H9 | C17 | C18 | H10 | 0.5° | 0.0° |
| H11 | C20 | C21 | H12 | 1.0° | 0.1° |
| H13 | C31 | C32 | H14 | 35.4° | 180.0° |
| H13 | C31 | C32 | H15 | 93.5° | 60.1° |
| H13 | C31 | C32 | C1 | 151.0° | 59.9° |
| H14 | C32 | H15 | C1 | 131.6° | 120.0° |
| H14 | C32 | C1 | N2 | 90.0° | 60.0° |
| H14 | C32 | C31 | H22 | 81.4° | 60.0° |
| H14 | C32 | C1 | H23 | 90.0° | 180.0° |
| H14 | C32 | C1 | H24 | 90.0° | 60.0° |
| H15 | C32 | C1 | N2 | 90.0° | 60.0° |
| H15 | C32 | C31 | H22 | 149.8° | 180.0° |
| H15 | C32 | C1 | H23 | 90.0° | 60.0° |
| H15 | C32 | C1 | H24 | 90.0° | 180.0° |
| H16 | C11 | C10 | H18 | 88.2° | 21.2° |
| H17 | C11 | C10 | H18 | 34.4° | 144.4° |
| H20 | C28 | C27 | H21 | 0.0° | 0.0° |
| C32 | C1 | N2 | H23 | 90.0° | 120.0° |
| C32 | C1 | N2 | H24 | 90.0° | 120.0° |
| C32 | C1 | N2 | C8 | 90.0° | 66.0° |
| C32 | C1 | N2 | C14 | 90.0° | 170.0° |
| C1 | C32 | C31 | H22 | 34.2° | 60.0° |
| C32 | C1 | H23 | H24 | 90.0° | 120.0° |
| C1 | N2 | C8 | C14 | 90.0° | 124.0° |
| N2 | C1 | H23 | H24 | 90.0° | 120.0° |
| C1 | N2 | C8 | H25 | 90.0° | 60.0° |
| C1 | N2 | C8 | H26 | 90.0° | 180.0° |
| C1 | N2 | C8 | H27 | 90.0° | 60.0° |
| C1 | N2 | C14 | H28 | 90.0° | 60.0° |
| C1 | N2 | C14 | H29 | 90.0° | 180.0° |
| C1 | N2 | C14 | H30 | 90.0° | 59.9° |
| C8 | N2 | C1 | H23 | 90.0° | 53.9° |
| C8 | N2 | C1 | H24 | 90.0° | 173.9° |
| N2 | C8 | H25 | H26 | 90.0° | 120.0° |
| N2 | C8 | H25 | H27 | 90.0° | 120.0° |
| N2 | C8 | H26 | H27 | 90.0° | 120.0° |
| C8 | N2 | C14 | H28 | 90.0° | 176.0° |
| C8 | N2 | C14 | H29 | 90.0° | 56.0° |
| C8 | N2 | C14 | H30 | 90.0° | 64.0° |
| C14 | N2 | C1 | H23 | 90.0° | 70.0° |
| C14 | N2 | C1 | H24 | 90.0° | 50.0° |
| C14 | N2 | C8 | H25 | 90.0° | 63.9° |
| C14 | N2 | C8 | H26 | 90.0° | 56.0° |
| C14 | N2 | C8 | H27 | 90.0° | 176.0° |
| N2 | C14 | H28 | H29 | 90.0° | 120.0° |
| N2 | C14 | H28 | H30 | 90.0° | 120.0° |
| N2 | C14 | H29 | H30 | 90.0° | 120.1° |
| H25 | C8 | H26 | H27 | 90.0° | 120.1° |
| H28 | C14 | H29 | H30 | 90.0° | 119.9° |
