A1AZD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | O3 | sing | 1.45Å | 1.43Å | |
| C5 | C14 | sing | 1.53Å | 1.53Å | |
| O3 | C1 | sing | 1.35Å | 1.45Å | |
| N5 | C4 | sing | 1.35Å | 1.33Å | |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| O6 | C4 | doub | 1.21Å | 1.22Å | |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | O2 | doub | 1.22Å | 1.22Å | |
| C1 | N34 | sing | 1.35Å | 1.33Å | |
| N17 | N16 | doub | 1.28Å | 1.41Å | Aromatic |
| N17 | C18 | sing | 1.32Å | 1.35Å | Aromatic |
| C24 | C18 | sing | 1.48Å | 1.49Å | |
| C24 | C25 | doub | 1.40Å | 1.39Å | Aromatic |
| N16 | C15 | sing | 1.32Å | 1.36Å | Aromatic |
| C18 | C19 | doub | 1.41Å | 1.49Å | Aromatic |
| C15 | N14 | sing | 1.39Å | 1.35Å | |
| C15 | C20 | doub | 1.42Å | 1.48Å | Aromatic |
| N34 | C16 | sing | 1.46Å | 1.45Å | |
| C7 | C3 | sing | 1.51Å | 1.51Å | |
| C7 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | N14 | sing | 1.40Å | 1.36Å | |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.40Å | 1.47Å | Aromatic |
| C19 | S21 | sing | 1.76Å | 1.67Å | Aromatic |
| C20 | C23 | sing | 1.45Å | 1.45Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| S21 | C22 | sing | 1.75Å | 1.75Å | Aromatic |
| C25 | O30 | sing | 1.36Å | 1.37Å | |
| C23 | C22 | doub | 1.32Å | 1.40Å | Aromatic |
| C16 | C2 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | F13 | sing | 1.35Å | 1.34Å | |
| O30 | C31 | sing | 1.43Å | 1.42Å | |
| C2 | O33 | sing | 1.43Å | 1.43Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| O33 | C32 | sing | 1.43Å | 1.43Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | 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 | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å | |
| C26 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | H22 | sing | 1.08Å | 1.08Å | |
| C29 | H23 | sing | 1.08Å | 1.08Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C9 | H28 | sing | 1.08Å | 1.08Å | |
| N14 | H29 | sing | 0.97Å | 1.00Å | |
| N34 | H30 | sing | 0.97Å | 1.00Å | |
| N5 | H31 | sing | 0.97Å | 1.00Å | |
| N5 | H32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C5 | C6 | 110.1° | 109.4° |
| C13 | C5 | O3 | 106.7° | 109.4° |
| C13 | C5 | C14 | 108.5° | 109.5° |
| C5 | C13 | H14 | 109.5° | 109.5° |
| C5 | C13 | H15 | 109.5° | 109.4° |
| C5 | C13 | H16 | 109.5° | 109.5° |
| C6 | C5 | O3 | 111.1° | 109.5° |
| C6 | C5 | C14 | 110.4° | 109.5° |
| C5 | C6 | H5 | 109.5° | 109.5° |
| C5 | C6 | H6 | 109.5° | 109.5° |
| C5 | C6 | H7 | 109.4° | 109.5° |
| O3 | C5 | C14 | 110.0° | 109.5° |
| C5 | O3 | C1 | 124.3° | 117.0° |
| C5 | C14 | H11 | 109.5° | 109.4° |
| C5 | C14 | H12 | 109.5° | 109.5° |
| C5 | C14 | H13 | 109.5° | 109.5° |
| O3 | C1 | O2 | 120.8° | 120.0° |
| O3 | C1 | N34 | 116.7° | 120.0° |
| N5 | C4 | O6 | 122.7° | 120.0° |
| N5 | C4 | C3 | 114.8° | 120.0° |
| C4 | N5 | H31 | 120.0° | 120.0° |
| C4 | N5 | H32 | 120.0° | 120.0° |
| C29 | C28 | C27 | 120.4° | 120.3° |
| C28 | C29 | C24 | 119.3° | 119.9° |
| C29 | C28 | H22 | 119.8° | 119.9° |
| C28 | C29 | H23 | 120.4° | 120.0° |
| C28 | C27 | C26 | 120.3° | 120.3° |
| C28 | C27 | H21 | 119.9° | 119.9° |
| C27 | C28 | H22 | 119.8° | 119.9° |
| C29 | C24 | C18 | 121.3° | 120.2° |
| C29 | C24 | C25 | 120.3° | 119.7° |
| C24 | C29 | H23 | 120.3° | 120.0° |
| O6 | C4 | C3 | 122.5° | 120.0° |
| C4 | C3 | C7 | 111.5° | 109.5° |
| C4 | C3 | H3 | 109.0° | 109.4° |
| C4 | C3 | H4 | 108.9° | 109.5° |
| C9 | C8 | C7 | 120.2° | 120.1° |
| C8 | C9 | C10 | 119.9° | 120.0° |
| C9 | C8 | H8 | 119.9° | 119.9° |
| C8 | C9 | H28 | 120.0° | 120.0° |
| C8 | C7 | C3 | 120.9° | 119.9° |
| C8 | C7 | C12 | 119.9° | 120.2° |
| C7 | C8 | H8 | 119.9° | 120.0° |
| C9 | C10 | N14 | 120.3° | 120.1° |
| C9 | C10 | C11 | 119.4° | 119.8° |
| C10 | C9 | H28 | 120.1° | 120.0° |
| C27 | C26 | C25 | 119.1° | 120.1° |
| C27 | C26 | H20 | 120.5° | 119.9° |
| C26 | C27 | H21 | 119.8° | 119.9° |
| O2 | C1 | N34 | 122.5° | 120.0° |
| C1 | N34 | C16 | 121.7° | 120.0° |
| C1 | N34 | H30 | 119.2° | 120.0° |
| N16 | N17 | C18 | 122.0° | 122.5° |
| N17 | N16 | C15 | 124.6° | 122.9° |
| N17 | C18 | C24 | 120.3° | 120.2° |
| N17 | C18 | C19 | 116.9° | 119.6° |
| C18 | C24 | C25 | 118.4° | 120.2° |
| C24 | C18 | C19 | 122.9° | 120.2° |
| C24 | C25 | C26 | 120.7° | 119.8° |
| C24 | C25 | O30 | 118.7° | 120.1° |
| N16 | C15 | N14 | 121.6° | 120.1° |
| N16 | C15 | C20 | 119.1° | 119.7° |
| C18 | C19 | C20 | 122.4° | 118.2° |
| C18 | C19 | S21 | 128.4° | 132.0° |
| N14 | C15 | C20 | 119.2° | 120.2° |
| C15 | N14 | C10 | 122.5° | 120.0° |
| C15 | N14 | H29 | 118.8° | 120.0° |
| C15 | C20 | C19 | 115.0° | 117.1° |
| C15 | C20 | C23 | 131.9° | 131.0° |
| N34 | C16 | C2 | 111.9° | 109.5° |
| N34 | C16 | H9 | 108.9° | 109.5° |
| N34 | C16 | H10 | 108.9° | 109.5° |
| C16 | N34 | H30 | 119.2° | 120.0° |
| C3 | C7 | C12 | 119.1° | 119.9° |
| C7 | C3 | H3 | 109.0° | 109.5° |
| C7 | C3 | H4 | 109.0° | 109.5° |
| C7 | C12 | C11 | 119.9° | 120.0° |
| C7 | C12 | H17 | 120.1° | 120.0° |
| N14 | C10 | C11 | 120.3° | 120.1° |
| C10 | N14 | H29 | 118.7° | 120.0° |
| C10 | C11 | C12 | 120.8° | 119.9° |
| C10 | C11 | F13 | 121.2° | 120.1° |
| C20 | C19 | S21 | 109.2° | 109.8° |
| C19 | C20 | C23 | 113.1° | 111.9° |
| C19 | S21 | C22 | 96.0° | 92.1° |
| C20 | C23 | C22 | 111.7° | 114.8° |
| C20 | C23 | H19 | 124.1° | 122.6° |
| C26 | C25 | O30 | 120.6° | 120.1° |
| C25 | C26 | H20 | 120.5° | 120.0° |
| S21 | C22 | C23 | 110.1° | 111.3° |
| S21 | C22 | H18 | 125.0° | 124.4° |
| C25 | O30 | C31 | 122.3° | 117.0° |
| C23 | C22 | H18 | 124.9° | 124.3° |
| C22 | C23 | H19 | 124.2° | 122.5° |
| C16 | C2 | O33 | 111.2° | 109.4° |
| C16 | C2 | H1 | 109.0° | 109.5° |
| C16 | C2 | H2 | 109.0° | 109.4° |
| C2 | C16 | H9 | 108.8° | 109.5° |
| C2 | C16 | H10 | 108.9° | 109.4° |
| C12 | C11 | F13 | 118.0° | 120.1° |
| C11 | C12 | H17 | 120.1° | 120.0° |
| O30 | C31 | C32 | 108.4° | 109.5° |
| O30 | C31 | H24 | 109.8° | 109.5° |
| O30 | C31 | H25 | 109.7° | 109.5° |
| C2 | O33 | C32 | 111.2° | 114.0° |
| O33 | C2 | H1 | 109.0° | 109.5° |
| O33 | C2 | H2 | 109.1° | 109.4° |
| C31 | C32 | O33 | 109.1° | 109.5° |
| C32 | C31 | H24 | 109.7° | 109.5° |
| C32 | C31 | H25 | 109.8° | 109.5° |
| C31 | C32 | H26 | 109.5° | 109.5° |
| C31 | C32 | H27 | 109.6° | 109.5° |
| O33 | C32 | H26 | 109.6° | 109.5° |
| O33 | C32 | H27 | 109.6° | 109.5° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H5 | C6 | H7 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.4° |
| H9 | C16 | H10 | 109.4° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H11 | C14 | H13 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H14 | C13 | H15 | 109.5° | 109.5° |
| H14 | C13 | H16 | 109.4° | 109.5° |
| H15 | C13 | H16 | 109.5° | 109.5° |
| H24 | C31 | H25 | 109.5° | 109.4° |
| H26 | C32 | H27 | 109.5° | 109.4° |
| H31 | N5 | H32 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C5 | C6 | O3 | 117.9° | 119.9° |
| C13 | C5 | C6 | C14 | 119.8° | 120.0° |
| C13 | C5 | O3 | C14 | 117.5° | 120.0° |
| C13 | C5 | O3 | C1 | 160.9° | 60.0° |
| C13 | C5 | C6 | H5 | 180.0° | 60.0° |
| C13 | C5 | C6 | H6 | 60.0° | 60.0° |
| C13 | C5 | C6 | H7 | 60.0° | 180.0° |
| C13 | C5 | C14 | H11 | 180.0° | 180.0° |
| C13 | C5 | C14 | H12 | 60.0° | 60.0° |
| C13 | C5 | C14 | H13 | 60.0° | 60.1° |
| C5 | C13 | H14 | H15 | 120.0° | 120.0° |
| C5 | C13 | H14 | H16 | 120.0° | 120.0° |
| C5 | C13 | H15 | H16 | 120.0° | 120.0° |
| C6 | C5 | O3 | C14 | 122.5° | 120.1° |
| C6 | C5 | O3 | C1 | 79.2° | 180.0° |
| C5 | C6 | H5 | H6 | 120.0° | 120.1° |
| C5 | C6 | H5 | H7 | 120.0° | 120.0° |
| C5 | C6 | H6 | H7 | 120.0° | 120.0° |
| C6 | C5 | C14 | H11 | 59.3° | 60.0° |
| C6 | C5 | C14 | H12 | 179.3° | 60.0° |
| C6 | C5 | C14 | H13 | 60.7° | 180.0° |
| C6 | C5 | C13 | H14 | 180.0° | 180.0° |
| C6 | C5 | C13 | H15 | 60.0° | 60.0° |
| C6 | C5 | C13 | H16 | 60.0° | 60.0° |
| C5 | O3 | C1 | O2 | 38.1° | 0.0° |
| C5 | O3 | C1 | N34 | 142.1° | 180.0° |
| O3 | C5 | C6 | H5 | 62.1° | 60.0° |
| O3 | C5 | C6 | H6 | 177.9° | 180.0° |
| O3 | C5 | C6 | H7 | 57.9° | 60.0° |
| O3 | C5 | C14 | H11 | 63.7° | 60.0° |
| O3 | C5 | C14 | H12 | 56.3° | 180.0° |
| O3 | C5 | C14 | H13 | 176.3° | 59.9° |
| O3 | C5 | C13 | H14 | 59.4° | 60.0° |
| O3 | C5 | C13 | H15 | 60.6° | 180.0° |
| O3 | C5 | C13 | H16 | 179.4° | 60.0° |
| C14 | C5 | O3 | C1 | 43.4° | 60.0° |
| C14 | C5 | C6 | H5 | 60.2° | 180.0° |
| C14 | C5 | C6 | H6 | 59.8° | 59.9° |
| C14 | C5 | C6 | H7 | 179.8° | 60.0° |
| C5 | C14 | H11 | H12 | 120.0° | 120.0° |
| C5 | C14 | H11 | H13 | 120.0° | 119.9° |
| C5 | C14 | H12 | H13 | 120.0° | 120.0° |
| C14 | C5 | C13 | H14 | 59.0° | 60.0° |
| C14 | C5 | C13 | H15 | 179.0° | 60.0° |
| C14 | C5 | C13 | H16 | 60.9° | 180.0° |
| O3 | C1 | O2 | N34 | 179.8° | 180.0° |
| O3 | C1 | N34 | C16 | 162.7° | 180.0° |
| O3 | C1 | N34 | H30 | 17.3° | 0.0° |
| N5 | C4 | O6 | C3 | 179.6° | 180.0° |
| N5 | C4 | C3 | C7 | 130.4° | 180.0° |
| N5 | C4 | C3 | H3 | 109.3° | 60.0° |
| N5 | C4 | C3 | H4 | 10.1° | 60.0° |
| C4 | N5 | H31 | H32 | 180.0° | 180.0° |
| C29 | C28 | C27 | H22 | 180.0° | 179.5° |
| C28 | C29 | C24 | H23 | 180.0° | 179.5° |
| C29 | C28 | C27 | C26 | 0.0° | 0.3° |
| C28 | C29 | C24 | C18 | 179.7° | 179.8° |
| C28 | C29 | C24 | C25 | 0.0° | 0.5° |
| C29 | C28 | C27 | H21 | 180.0° | 179.7° |
| C27 | C28 | C29 | C24 | 0.1° | 0.5° |
| C28 | C27 | C26 | H21 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.1° | 0.0° |
| C28 | C27 | C26 | H20 | 179.9° | 180.0° |
| C27 | C28 | C29 | H23 | 179.9° | 180.0° |
| C29 | C24 | C18 | N17 | 111.7° | 131.9° |
| C29 | C24 | C18 | C25 | 179.8° | 179.7° |
| C29 | C24 | C18 | C19 | 68.5° | 48.0° |
| C29 | C24 | C25 | C26 | 0.1° | 0.3° |
| C29 | C24 | C25 | O30 | 179.9° | 179.8° |
| C24 | C29 | C28 | H22 | 179.9° | 180.0° |
| O6 | C4 | C3 | C7 | 49.3° | 0.0° |
| O6 | C4 | C3 | H3 | 71.1° | 120.0° |
| O6 | C4 | C3 | H4 | 169.6° | 120.0° |
| O6 | C4 | N5 | H31 | 0.0° | 180.0° |
| O6 | C4 | N5 | H32 | 180.0° | 0.0° |
| C4 | C3 | C7 | C8 | 86.1° | 89.7° |
| C4 | C3 | C7 | H3 | 120.3° | 120.0° |
| C4 | C3 | C7 | H4 | 120.3° | 120.0° |
| C4 | C3 | C7 | C12 | 93.4° | 90.0° |
| C4 | C3 | H3 | H4 | 119.1° | 120.0° |
| C3 | C4 | N5 | H31 | 179.6° | 0.0° |
| C3 | C4 | N5 | H32 | 0.3° | 180.0° |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| C8 | C9 | C10 | H28 | 180.0° | 179.8° |
| C9 | C8 | C7 | C3 | 179.8° | 179.9° |
| C9 | C8 | C7 | C12 | 0.2° | 0.3° |
| C8 | C9 | C10 | N14 | 179.7° | 180.0° |
| C8 | C9 | C10 | C11 | 0.5° | 0.4° |
| C7 | C8 | C9 | C10 | 0.3° | 0.1° |
| C8 | C7 | C3 | C12 | 179.6° | 179.6° |
| C8 | C7 | C12 | C11 | 0.4° | 0.4° |
| C8 | C7 | C3 | H3 | 153.5° | 150.4° |
| C8 | C7 | C3 | H4 | 34.1° | 30.3° |
| C8 | C7 | C12 | H17 | 179.6° | 179.7° |
| C7 | C8 | C9 | H28 | 179.7° | 179.9° |
| C9 | C10 | N14 | C15 | 122.4° | 19.8° |
| C9 | C10 | N14 | C11 | 179.1° | 179.7° |
| C9 | C10 | C11 | C12 | 0.7° | 0.3° |
| C9 | C10 | C11 | F13 | 180.0° | 180.0° |
| C10 | C9 | C8 | H8 | 179.8° | 180.0° |
| C9 | C10 | N14 | H29 | 57.5° | 160.2° |
| C27 | C26 | C25 | C24 | 0.1° | 0.0° |
| C27 | C26 | C25 | H20 | 180.0° | 180.0° |
| C27 | C26 | C25 | O30 | 180.0° | 180.0° |
| C26 | C27 | C28 | H22 | 180.0° | 179.8° |
| O2 | C1 | N34 | C16 | 17.2° | 0.0° |
| O2 | C1 | N34 | H30 | 162.8° | 180.0° |
| C1 | N34 | C16 | H30 | 180.0° | 180.0° |
| C1 | N34 | C16 | C2 | 85.0° | 180.0° |
| C1 | N34 | C16 | H9 | 35.4° | 60.0° |
| C1 | N34 | C16 | H10 | 154.6° | 60.0° |
| N16 | N17 | C18 | C24 | 179.9° | 180.0° |
| N16 | N17 | C18 | C19 | 0.1° | 0.2° |
| N17 | N16 | C15 | N14 | 179.6° | 179.9° |
| N17 | N16 | C15 | C20 | 0.2° | 0.3° |
| N17 | C18 | C24 | C19 | 179.8° | 179.8° |
| N17 | C18 | C24 | C25 | 68.6° | 47.8° |
| C18 | N17 | N16 | C15 | 0.2° | 0.1° |
| N17 | C18 | C19 | C20 | 0.0° | 0.2° |
| N17 | C18 | C19 | S21 | 180.0° | 179.8° |
| C24 | C18 | C19 | C20 | 179.8° | 180.0° |
| C24 | C18 | C19 | S21 | 0.1° | 0.0° |
| C18 | C24 | C25 | C26 | 179.8° | 180.0° |
| C18 | C24 | C25 | O30 | 0.3° | 0.1° |
| C18 | C24 | C29 | H23 | 0.3° | 0.3° |
| C25 | C24 | C18 | C19 | 111.2° | 132.3° |
| C24 | C25 | C26 | O30 | 179.8° | 179.9° |
| C24 | C25 | O30 | C31 | 154.5° | 180.0° |
| C24 | C25 | C26 | H20 | 179.9° | 180.0° |
| C25 | C24 | C29 | H23 | 180.0° | 180.0° |
| N16 | C15 | N14 | C20 | 179.8° | 179.8° |
| N16 | C15 | N14 | C10 | 10.6° | 6.1° |
| N16 | C15 | C20 | C19 | 0.1° | 0.3° |
| N16 | C15 | C20 | C23 | 180.0° | 179.7° |
| N16 | C15 | N14 | H29 | 169.4° | 173.9° |
| C18 | C19 | C20 | C15 | 0.0° | 0.0° |
| C18 | C19 | C20 | S21 | 180.0° | 180.0° |
| C18 | C19 | C20 | C23 | 179.9° | 180.0° |
| C18 | C19 | S21 | C22 | 179.9° | 180.0° |
| C15 | N14 | C10 | H29 | 180.0° | 180.0° |
| C15 | N14 | C10 | C11 | 58.4° | 159.9° |
| N14 | C15 | C20 | C19 | 179.7° | 180.0° |
| N14 | C15 | C20 | C23 | 0.1° | 0.0° |
| C20 | C15 | N14 | C10 | 169.2° | 174.1° |
| C15 | C20 | C19 | C23 | 179.9° | 180.0° |
| C15 | C20 | C19 | S21 | 180.0° | 180.0° |
| C15 | C20 | C23 | C22 | 180.0° | 180.0° |
| C15 | C20 | C23 | H19 | 0.0° | 0.0° |
| C20 | C15 | N14 | H29 | 10.8° | 5.9° |
| N34 | C16 | C2 | H9 | 120.4° | 120.0° |
| N34 | C16 | C2 | H10 | 120.4° | 120.0° |
| N34 | C16 | C2 | O33 | 66.3° | 65.0° |
| N34 | C16 | C2 | H1 | 54.0° | 175.0° |
| N34 | C16 | C2 | H2 | 173.4° | 55.0° |
| N34 | C16 | H9 | H10 | 118.9° | 120.0° |
| C3 | C7 | C12 | C11 | 180.0° | 180.0° |
| C7 | C3 | H3 | H4 | 119.1° | 120.0° |
| C3 | C7 | C8 | H8 | 0.3° | 0.0° |
| C3 | C7 | C12 | H17 | 0.1° | 0.1° |
| C7 | C12 | C11 | C10 | 0.7° | 0.0° |
| C7 | C12 | C11 | H17 | 180.0° | 179.9° |
| C7 | C12 | C11 | F13 | 179.9° | 179.7° |
| C12 | C7 | C3 | H3 | 26.9° | 30.0° |
| C12 | C7 | C3 | H4 | 146.3° | 150.1° |
| C12 | C7 | C8 | H8 | 179.8° | 179.7° |
| N14 | C10 | C11 | C12 | 179.9° | 180.0° |
| N14 | C10 | C11 | F13 | 0.9° | 0.3° |
| N14 | C10 | C9 | H28 | 0.3° | 0.1° |
| C10 | C11 | C12 | F13 | 179.2° | 179.7° |
| C10 | C11 | C12 | H17 | 179.3° | 180.0° |
| C11 | C10 | C9 | H28 | 179.5° | 179.8° |
| C11 | C10 | N14 | H29 | 121.6° | 20.1° |
| C20 | C19 | S21 | C22 | 0.0° | 0.0° |
| C19 | C20 | C23 | C22 | 0.1° | 0.0° |
| C19 | C20 | C23 | H19 | 179.9° | 180.0° |
| S21 | C19 | C20 | C23 | 0.1° | 0.0° |
| C19 | S21 | C22 | C23 | 0.0° | 0.0° |
| C19 | S21 | C22 | H18 | 180.0° | 179.9° |
| C20 | C23 | C22 | S21 | 0.1° | 0.0° |
| C20 | C23 | C22 | H19 | 180.0° | 180.0° |
| C20 | C23 | C22 | H18 | 179.9° | 179.9° |
| C26 | C25 | O30 | C31 | 25.7° | 0.1° |
| C25 | C26 | C27 | H21 | 179.9° | 180.0° |
| S21 | C22 | C23 | H18 | 180.0° | 179.9° |
| S21 | C22 | C23 | H19 | 179.9° | 180.0° |
| C25 | O30 | C31 | C32 | 140.9° | 180.0° |
| O30 | C25 | C26 | H20 | 0.1° | 0.0° |
| C25 | O30 | C31 | H24 | 99.3° | 60.0° |
| C25 | O30 | C31 | H25 | 21.0° | 60.0° |
| C16 | C2 | O33 | H1 | 120.3° | 120.1° |
| C16 | C2 | O33 | H2 | 120.3° | 119.9° |
| C16 | C2 | O33 | C32 | 114.0° | 180.0° |
| C16 | C2 | H1 | H2 | 119.2° | 120.0° |
| C2 | C16 | H9 | H10 | 118.9° | 119.9° |
| C2 | C16 | N34 | H30 | 95.0° | 0.0° |
| F13 | C11 | C12 | H17 | 0.1° | 0.3° |
| O30 | C31 | C32 | H24 | 119.8° | 120.0° |
| O30 | C31 | C32 | H25 | 119.8° | 120.0° |
| O30 | C31 | C32 | O33 | 45.3° | 65.0° |
| O30 | C31 | H24 | H25 | 120.5° | 120.0° |
| O30 | C31 | C32 | H26 | 165.2° | 175.0° |
| O30 | C31 | C32 | H27 | 74.7° | 55.0° |
| C2 | O33 | C32 | C31 | 136.9° | 180.0° |
| O33 | C2 | H1 | H2 | 119.2° | 120.0° |
| O33 | C2 | C16 | H9 | 173.3° | 175.0° |
| O33 | C2 | C16 | H10 | 54.1° | 55.0° |
| C2 | O33 | C32 | H26 | 103.2° | 60.0° |
| C2 | O33 | C32 | H27 | 16.9° | 59.9° |
| C31 | C32 | O33 | H26 | 119.9° | 120.0° |
| C31 | C32 | O33 | H27 | 119.9° | 120.1° |
| C32 | C31 | H24 | H25 | 120.5° | 120.0° |
| C31 | C32 | H26 | H27 | 120.2° | 120.0° |
| C32 | O33 | C2 | H1 | 6.2° | 59.9° |
| C32 | O33 | C2 | H2 | 125.7° | 60.1° |
| O33 | C32 | C31 | H24 | 74.6° | 175.0° |
| O33 | C32 | C31 | H25 | 165.1° | 55.0° |
| O33 | C32 | H26 | H27 | 120.2° | 120.0° |
| H1 | C2 | C16 | H9 | 66.4° | 54.9° |
| H1 | C2 | C16 | H10 | 174.3° | 65.0° |
| H2 | C2 | C16 | H9 | 53.0° | 65.1° |
| H2 | C2 | C16 | H10 | 66.2° | 175.0° |
| H5 | C6 | H6 | H7 | 120.0° | 120.0° |
| H8 | C8 | C9 | H28 | 0.3° | 0.1° |
| H9 | C16 | N34 | H30 | 144.6° | 120.0° |
| H10 | C16 | N34 | H30 | 25.3° | 120.0° |
| H11 | C14 | H12 | H13 | 120.0° | 120.0° |
| H14 | C13 | H15 | H16 | 120.0° | 120.0° |
| H18 | C22 | C23 | H19 | 0.1° | 0.1° |
| H20 | C26 | C27 | H21 | 0.1° | 0.0° |
| H21 | C27 | C28 | H22 | 0.0° | 0.2° |
| H22 | C28 | C29 | H23 | 0.1° | 0.5° |
| H24 | C31 | C32 | H26 | 45.4° | 55.0° |
| H24 | C31 | C32 | H27 | 165.5° | 65.0° |
| H25 | C31 | C32 | H26 | 75.0° | 65.0° |
| H25 | C31 | C32 | H27 | 45.2° | 175.0° |
