WQU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C23 | sing | 1.43Å | 1.48Å | |
| O7 | C24 | sing | 1.43Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.40Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| O2 | C3 | sing | 1.43Å | 1.41Å | |
| C24 | C1 | sing | 1.53Å | 1.45Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.61Å | |
| C22 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C4 | sing | 1.47Å | 1.28Å | |
| N1 | C2 | sing | 1.47Å | 1.49Å | |
| C4 | C5 | sing | 1.51Å | 1.57Å | |
| C2 | C3 | sing | 1.53Å | 1.46Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | O5 | sing | 1.43Å | 1.40Å | |
| C18 | N4 | sing | 1.47Å | 1.48Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C9 | sing | 1.38Å | 1.43Å | Aromatic |
| O5 | C16 | sing | 1.43Å | 1.39Å | |
| N4 | C14 | sing | 1.40Å | 1.46Å | |
| N4 | C15 | sing | 1.47Å | 1.46Å | |
| C14 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| N2 | C11 | sing | 1.40Å | 1.51Å | |
| N2 | C10 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | doub | 1.39Å | 1.47Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.55Å | |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | N3 | sing | 1.48Å | 1.52Å | |
| N3 | O3 | sing | 1.22Å | 1.44Å | |
| N3 | O4 | doub | 1.22Å | 1.40Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | 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 | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.08Å | 1.08Å | |
| C2 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| C3 | H28 | sing | 1.09Å | 1.10Å | |
| N2 | H29 | sing | 0.97Å | 1.00Å | |
| O1 | H30 | sing | 0.97Å | 0.95Å | |
| O2 | H31 | sing | 0.97Å | 0.95Å | |
| O6 | H32 | sing | 0.97Å | 0.95Å | |
| O7 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C23 | C24 | 110.3° | 109.5° |
| O6 | C23 | C22 | 106.7° | 109.5° |
| O6 | C23 | H26 | 109.7° | 109.5° |
| C23 | O6 | H32 | 109.5° | 114.0° |
| O7 | C24 | C23 | 108.2° | 109.6° |
| O7 | C24 | C1 | 107.3° | 109.5° |
| O7 | C24 | H18 | 110.3° | 109.5° |
| C24 | O7 | H33 | 109.5° | 114.0° |
| C24 | C23 | C22 | 110.1° | 109.3° |
| C23 | C24 | C1 | 107.2° | 109.2° |
| C23 | C24 | H18 | 112.2° | 109.5° |
| C24 | C23 | H26 | 110.9° | 109.4° |
| C23 | C22 | N1 | 107.2° | 109.5° |
| C23 | C22 | H16 | 110.0° | 109.4° |
| C23 | C22 | H17 | 110.0° | 109.5° |
| C22 | C23 | H26 | 109.1° | 109.5° |
| O2 | C3 | C2 | 106.1° | 109.5° |
| O2 | C3 | H27 | 110.3° | 109.5° |
| O2 | C3 | H28 | 110.3° | 109.5° |
| C3 | O2 | H31 | 109.5° | 114.0° |
| C24 | C1 | O1 | 108.5° | 109.5° |
| C24 | C1 | C2 | 109.8° | 109.3° |
| C1 | C24 | H18 | 111.4° | 109.5° |
| C24 | C1 | H19 | 109.2° | 109.5° |
| O1 | C1 | C2 | 112.6° | 109.5° |
| O1 | C1 | H19 | 109.4° | 109.5° |
| C1 | O1 | H30 | 109.5° | 114.0° |
| C1 | C2 | N1 | 108.4° | 109.5° |
| C1 | C2 | C3 | 107.9° | 109.5° |
| C2 | C1 | H19 | 107.2° | 109.5° |
| C1 | C2 | H25 | 107.9° | 109.5° |
| C22 | N1 | C4 | 114.2° | 111.0° |
| C22 | N1 | C2 | 110.0° | 111.2° |
| N1 | C22 | H16 | 110.0° | 109.5° |
| N1 | C22 | H17 | 110.0° | 109.5° |
| C4 | N1 | C2 | 120.3° | 111.0° |
| N1 | C4 | C5 | 114.8° | 109.5° |
| N1 | C4 | H2 | 108.1° | 109.5° |
| N1 | C4 | H3 | 108.1° | 109.5° |
| N1 | C2 | C3 | 113.3° | 109.4° |
| N1 | C2 | H25 | 109.3° | 109.4° |
| C4 | C5 | C21 | 122.0° | 120.0° |
| C4 | C5 | C6 | 119.1° | 120.0° |
| C5 | C4 | H2 | 108.2° | 109.4° |
| C5 | C4 | H3 | 108.1° | 109.5° |
| C3 | C2 | H25 | 109.8° | 109.5° |
| C2 | C3 | H27 | 110.3° | 109.5° |
| C2 | C3 | H28 | 110.3° | 109.4° |
| C18 | C17 | O5 | 114.6° | 109.2° |
| C17 | C18 | N4 | 112.7° | 109.3° |
| C18 | C17 | H12 | 108.1° | 109.5° |
| C18 | C17 | H13 | 108.2° | 109.5° |
| C17 | C18 | H22 | 108.7° | 109.5° |
| C17 | C18 | H23 | 108.7° | 109.5° |
| C17 | O5 | C16 | 116.7° | 113.7° |
| O5 | C17 | H12 | 108.2° | 109.5° |
| O5 | C17 | H13 | 108.2° | 109.5° |
| C18 | N4 | C14 | 120.7° | 111.0° |
| C18 | N4 | C15 | 111.0° | 110.8° |
| N4 | C18 | H22 | 108.7° | 109.6° |
| N4 | C18 | H23 | 108.6° | 109.5° |
| C20 | C19 | C14 | 118.3° | 120.0° |
| C19 | C20 | C11 | 122.2° | 120.0° |
| C19 | C20 | H14 | 118.9° | 120.0° |
| C20 | C19 | H24 | 120.9° | 120.0° |
| C19 | C14 | N4 | 118.5° | 120.0° |
| C19 | C14 | C13 | 121.1° | 120.0° |
| C14 | C19 | H24 | 120.8° | 120.0° |
| C20 | C11 | N2 | 110.0° | 120.0° |
| C20 | C11 | C12 | 120.4° | 120.0° |
| C11 | C20 | H14 | 118.9° | 120.0° |
| C21 | C5 | C6 | 118.9° | 120.0° |
| C5 | C21 | C9 | 119.4° | 120.0° |
| C5 | C21 | H15 | 120.3° | 120.0° |
| C5 | C6 | C7 | 121.6° | 120.0° |
| C5 | C6 | H4 | 119.2° | 120.0° |
| C21 | C9 | C10 | 121.4° | 120.0° |
| C21 | C9 | C8 | 121.0° | 120.0° |
| C9 | C21 | H15 | 120.3° | 120.0° |
| O5 | C16 | C15 | 113.3° | 109.3° |
| O5 | C16 | H20 | 108.5° | 109.5° |
| O5 | C16 | H21 | 108.5° | 109.6° |
| C14 | N4 | C15 | 120.7° | 111.0° |
| N4 | C14 | C13 | 120.5° | 120.0° |
| N4 | C15 | C16 | 112.9° | 109.3° |
| N4 | C15 | H10 | 108.6° | 109.5° |
| N4 | C15 | H11 | 108.6° | 109.5° |
| C14 | C13 | C12 | 122.6° | 120.0° |
| C14 | C13 | H9 | 118.7° | 120.0° |
| C6 | C7 | C8 | 119.9° | 120.0° |
| C7 | C6 | H4 | 119.2° | 120.0° |
| C6 | C7 | H5 | 120.1° | 120.0° |
| C11 | N2 | C10 | 128.0° | 120.0° |
| N2 | C11 | C12 | 129.5° | 120.0° |
| C11 | N2 | H29 | 104.6° | 120.0° |
| N2 | C10 | C9 | 112.7° | 109.5° |
| N2 | C10 | H7 | 108.6° | 109.5° |
| N2 | C10 | H8 | 108.7° | 109.4° |
| C10 | N2 | H29 | 104.7° | 120.0° |
| C11 | C12 | C13 | 115.5° | 120.0° |
| C11 | C12 | N3 | 129.4° | 120.0° |
| C10 | C9 | C8 | 117.6° | 119.9° |
| C9 | C10 | H7 | 108.7° | 109.5° |
| C9 | C10 | H8 | 108.7° | 109.5° |
| C9 | C8 | C7 | 119.3° | 120.0° |
| C9 | C8 | H6 | 120.4° | 120.0° |
| C16 | C15 | H10 | 108.6° | 109.5° |
| C16 | C15 | H11 | 108.6° | 109.5° |
| C15 | C16 | H20 | 108.5° | 109.5° |
| C15 | C16 | H21 | 108.5° | 109.5° |
| C13 | C12 | N3 | 115.1° | 120.0° |
| C12 | C13 | H9 | 118.7° | 120.0° |
| C8 | C7 | H5 | 120.0° | 120.0° |
| C7 | C8 | H6 | 120.4° | 120.0° |
| C12 | N3 | O3 | 120.8° | 120.0° |
| C12 | N3 | O4 | 124.1° | 120.0° |
| O3 | N3 | O4 | 114.9° | 120.0° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.5° |
| H12 | C17 | H13 | 109.5° | 109.6° |
| H16 | C22 | H17 | 109.4° | 109.5° |
| H20 | C16 | H21 | 109.5° | 109.5° |
| H22 | C18 | H23 | 109.5° | 109.5° |
| H27 | C3 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C23 | C24 | O7 | 58.4° | 62.4° |
| O6 | C23 | C24 | C22 | 117.4° | 120.0° |
| O6 | C23 | C24 | H26 | 121.7° | 120.1° |
| O6 | C23 | C22 | H26 | 118.5° | 120.1° |
| O6 | C23 | C24 | C1 | 173.8° | 177.6° |
| O6 | C23 | C22 | N1 | 172.4° | 179.1° |
| O6 | C23 | C22 | H16 | 52.8° | 59.1° |
| O6 | C23 | C22 | H17 | 67.9° | 60.9° |
| O6 | C23 | C24 | H18 | 63.5° | 57.7° |
| O7 | C24 | C23 | C1 | 115.5° | 120.0° |
| O7 | C24 | C23 | H18 | 121.9° | 120.1° |
| O7 | C24 | C23 | C22 | 175.8° | 177.6° |
| O7 | C24 | C1 | H18 | 120.8° | 120.1° |
| O7 | C24 | C1 | O1 | 58.8° | 62.4° |
| O7 | C24 | C1 | C2 | 177.7° | 177.6° |
| O7 | C24 | C1 | H19 | 60.4° | 57.7° |
| O7 | C24 | C23 | H26 | 63.4° | 57.7° |
| C24 | C23 | C22 | H26 | 121.9° | 119.9° |
| C23 | C24 | C1 | H18 | 123.1° | 119.9° |
| C23 | C24 | C1 | O1 | 174.8° | 177.6° |
| C23 | C24 | C1 | C2 | 61.7° | 57.6° |
| C24 | C23 | C22 | N1 | 67.9° | 59.1° |
| C24 | C23 | C22 | H16 | 172.4° | 60.9° |
| C24 | C23 | C22 | H17 | 51.7° | 179.2° |
| C23 | C24 | C1 | H19 | 55.7° | 62.3° |
| C24 | C23 | O6 | H32 | 180.0° | 180.0° |
| C23 | C24 | O7 | H33 | 180.0° | 60.2° |
| C22 | C23 | C24 | C1 | 68.8° | 57.6° |
| C23 | C22 | N1 | H16 | 119.7° | 120.0° |
| C23 | C22 | N1 | H17 | 119.7° | 120.0° |
| C23 | C22 | N1 | C4 | 161.3° | 174.2° |
| C23 | C22 | N1 | C2 | 59.9° | 61.7° |
| C23 | C22 | H16 | H17 | 121.0° | 120.0° |
| C22 | C23 | C24 | H18 | 53.9° | 62.3° |
| C22 | C23 | O6 | H32 | 60.5° | 60.2° |
| O2 | C3 | C2 | C1 | 68.9° | 56.8° |
| O2 | C3 | C2 | N1 | 51.1° | 63.2° |
| O2 | C3 | C2 | H27 | 119.5° | 120.0° |
| O2 | C3 | C2 | H28 | 119.5° | 120.0° |
| O2 | C3 | C2 | H25 | 173.6° | 176.8° |
| O2 | C3 | H27 | H28 | 121.5° | 120.0° |
| C24 | C1 | O1 | C2 | 121.8° | 119.8° |
| C24 | C1 | O1 | H19 | 119.0° | 120.1° |
| C24 | C1 | C2 | H19 | 118.5° | 119.9° |
| C24 | C1 | C2 | N1 | 55.1° | 59.2° |
| C24 | C1 | C2 | C3 | 178.1° | 179.2° |
| C24 | C1 | C2 | H25 | 63.2° | 60.8° |
| C1 | C24 | C23 | H26 | 52.1° | 62.3° |
| C24 | C1 | O1 | H30 | 180.0° | 60.0° |
| C1 | C24 | O7 | H33 | 64.6° | 180.0° |
| O1 | C1 | C2 | H19 | 120.4° | 120.1° |
| O1 | C1 | C2 | N1 | 176.1° | 179.1° |
| O1 | C1 | C2 | C3 | 60.8° | 60.9° |
| O1 | C1 | C24 | H18 | 62.0° | 57.7° |
| O1 | C1 | C2 | H25 | 57.9° | 59.1° |
| C1 | C2 | N1 | C22 | 54.4° | 61.7° |
| C1 | C2 | N1 | C4 | 169.7° | 174.2° |
| C1 | C2 | N1 | C3 | 119.8° | 120.0° |
| C1 | C2 | N1 | H25 | 117.4° | 120.0° |
| C1 | C2 | C3 | H25 | 117.4° | 120.0° |
| C2 | C1 | C24 | H18 | 61.5° | 62.2° |
| C1 | C2 | C3 | H27 | 50.5° | 176.8° |
| C1 | C2 | C3 | H28 | 171.6° | 63.2° |
| C2 | C1 | O1 | H30 | 58.2° | 179.8° |
| C22 | N1 | C4 | C2 | 134.2° | 124.2° |
| C22 | N1 | C4 | C5 | 65.6° | 63.3° |
| C22 | N1 | C2 | C3 | 174.2° | 178.2° |
| C22 | N1 | C4 | H2 | 173.6° | 56.6° |
| C22 | N1 | C4 | H3 | 55.1° | 176.7° |
| N1 | C22 | H16 | H17 | 121.0° | 120.0° |
| C22 | N1 | C2 | H25 | 62.9° | 58.3° |
| N1 | C22 | C23 | H26 | 54.0° | 60.7° |
| N1 | C4 | C5 | H2 | 120.8° | 120.0° |
| N1 | C4 | C5 | H3 | 120.8° | 120.0° |
| C4 | N1 | C2 | C3 | 49.9° | 54.1° |
| N1 | C4 | C5 | C21 | 90.9° | 90.0° |
| N1 | C4 | C5 | C6 | 87.3° | 89.7° |
| N1 | C4 | H2 | H3 | 117.6° | 120.0° |
| C4 | N1 | C22 | H16 | 41.6° | 65.8° |
| C4 | N1 | C22 | H17 | 79.1° | 54.1° |
| C4 | N1 | C2 | H25 | 73.0° | 65.8° |
| C2 | N1 | C4 | C5 | 68.6° | 172.5° |
| N1 | C2 | C3 | H25 | 122.5° | 120.0° |
| C2 | N1 | C4 | H2 | 52.2° | 67.6° |
| C2 | N1 | C4 | H3 | 170.7° | 52.5° |
| C2 | N1 | C22 | H16 | 179.6° | 58.3° |
| C2 | N1 | C22 | H17 | 59.7° | 178.2° |
| N1 | C2 | C1 | H19 | 63.5° | 60.8° |
| N1 | C2 | C3 | H27 | 170.6° | 56.8° |
| N1 | C2 | C3 | H28 | 68.4° | 176.8° |
| C4 | C5 | C21 | C6 | 178.1° | 179.7° |
| C4 | C5 | C21 | C9 | 176.7° | 179.8° |
| C4 | C5 | C6 | C7 | 177.1° | 180.0° |
| C5 | C4 | H2 | H3 | 117.6° | 120.0° |
| C4 | C5 | C6 | H4 | 2.9° | 0.1° |
| C4 | C5 | C21 | H15 | 3.3° | 0.1° |
| C3 | C2 | C1 | H19 | 59.6° | 59.2° |
| C2 | C3 | H27 | H28 | 121.5° | 120.0° |
| C2 | C3 | O2 | H31 | 180.0° | 180.0° |
| C18 | C17 | O5 | H12 | 120.7° | 120.0° |
| C18 | C17 | O5 | H13 | 120.8° | 119.9° |
| C17 | C18 | N4 | H22 | 120.5° | 120.0° |
| C17 | C18 | N4 | H23 | 120.5° | 119.9° |
| C18 | C17 | O5 | C16 | 53.5° | 58.6° |
| C17 | C18 | N4 | C14 | 173.9° | 177.6° |
| C17 | C18 | N4 | C15 | 36.3° | 58.6° |
| C18 | C17 | H12 | H13 | 117.7° | 120.1° |
| C17 | C18 | H22 | H23 | 118.5° | 120.0° |
| O5 | C17 | C18 | N4 | 16.7° | 56.8° |
| C17 | O5 | C16 | C15 | 31.8° | 58.6° |
| O5 | C17 | H12 | H13 | 117.7° | 120.1° |
| C17 | O5 | C16 | H20 | 88.8° | 61.3° |
| C17 | O5 | C16 | H21 | 152.3° | 178.7° |
| O5 | C17 | C18 | H22 | 103.7° | 176.8° |
| O5 | C17 | C18 | H23 | 137.2° | 63.2° |
| C18 | N4 | C14 | C19 | 3.0° | 0.0° |
| C18 | N4 | C14 | C15 | 146.9° | 123.7° |
| C18 | N4 | C14 | C13 | 176.8° | 180.0° |
| C18 | N4 | C15 | C16 | 57.5° | 58.6° |
| C18 | N4 | C15 | H10 | 178.0° | 61.3° |
| C18 | N4 | C15 | H11 | 63.0° | 178.6° |
| N4 | C18 | C17 | H12 | 104.0° | 176.8° |
| N4 | C18 | C17 | H13 | 137.5° | 63.1° |
| N4 | C18 | H22 | H23 | 118.5° | 120.1° |
| C20 | C19 | C14 | H24 | 180.0° | 179.8° |
| C19 | C20 | C11 | H14 | 180.0° | 179.4° |
| C20 | C19 | C14 | N4 | 179.7° | 180.0° |
| C20 | C19 | C14 | C13 | 0.1° | 0.0° |
| C19 | C20 | C11 | N2 | 179.3° | 179.5° |
| C19 | C20 | C11 | C12 | 1.9° | 0.5° |
| C14 | C19 | C20 | C11 | 1.3° | 0.2° |
| C19 | C14 | N4 | C13 | 179.8° | 180.0° |
| C19 | C14 | N4 | C15 | 143.9° | 123.7° |
| C19 | C14 | C13 | C12 | 0.4° | 0.0° |
| C19 | C14 | C13 | H9 | 179.6° | 179.7° |
| C14 | C19 | C20 | H14 | 178.7° | 179.7° |
| C20 | C11 | N2 | C12 | 177.1° | 179.9° |
| C20 | C11 | N2 | C10 | 130.3° | 5.1° |
| C20 | C11 | C12 | C13 | 1.3° | 0.5° |
| C20 | C11 | C12 | N3 | 176.1° | 179.5° |
| C11 | C20 | C19 | H24 | 178.7° | 180.0° |
| C20 | C11 | N2 | H29 | 107.3° | 175.0° |
| C5 | C21 | C9 | H15 | 180.0° | 179.7° |
| C21 | C5 | C6 | C7 | 1.1° | 0.4° |
| C5 | C21 | C9 | C10 | 178.8° | 180.0° |
| C5 | C21 | C9 | C8 | 1.0° | 0.5° |
| C21 | C5 | C4 | H2 | 148.3° | 30.0° |
| C21 | C5 | C4 | H3 | 29.9° | 150.0° |
| C21 | C5 | C6 | H4 | 178.9° | 179.8° |
| C6 | C5 | C21 | C9 | 1.4° | 0.6° |
| C5 | C6 | C7 | H4 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.3° | 0.1° |
| C6 | C5 | C4 | H2 | 33.5° | 150.3° |
| C6 | C5 | C4 | H3 | 152.0° | 30.3° |
| C5 | C6 | C7 | H5 | 179.7° | 179.9° |
| C6 | C5 | C21 | H15 | 178.6° | 179.7° |
| C21 | C9 | C10 | N2 | 52.1° | 90.0° |
| C21 | C9 | C10 | C8 | 179.8° | 179.5° |
| C21 | C9 | C8 | C7 | 0.2° | 0.3° |
| C21 | C9 | C8 | H6 | 179.8° | 179.8° |
| C21 | C9 | C10 | H7 | 172.6° | 150.0° |
| C21 | C9 | C10 | H8 | 68.4° | 30.0° |
| O5 | C16 | C15 | N4 | 24.0° | 56.8° |
| O5 | C16 | C15 | H20 | 120.6° | 119.9° |
| O5 | C16 | C15 | H21 | 120.6° | 120.1° |
| O5 | C16 | C15 | H10 | 144.5° | 63.1° |
| O5 | C16 | C15 | H11 | 96.6° | 176.8° |
| C16 | O5 | C17 | H12 | 67.3° | 178.6° |
| C16 | O5 | C17 | H13 | 174.2° | 61.3° |
| O5 | C16 | H20 | H21 | 118.2° | 120.1° |
| C14 | N4 | C15 | C16 | 152.7° | 177.6° |
| N4 | C14 | C13 | C12 | 179.8° | 180.0° |
| N4 | C14 | C13 | H9 | 0.2° | 0.2° |
| C14 | N4 | C15 | H10 | 32.2° | 62.5° |
| C14 | N4 | C15 | H11 | 86.8° | 57.6° |
| C14 | N4 | C18 | H22 | 53.4° | 57.6° |
| C14 | N4 | C18 | H23 | 65.6° | 62.5° |
| N4 | C14 | C19 | H24 | 0.3° | 0.2° |
| C15 | N4 | C14 | C13 | 36.3° | 56.3° |
| N4 | C15 | C16 | H10 | 120.5° | 119.9° |
| N4 | C15 | C16 | H11 | 120.5° | 120.0° |
| N4 | C15 | H10 | H11 | 118.4° | 120.1° |
| N4 | C15 | C16 | H20 | 144.5° | 63.1° |
| N4 | C15 | C16 | H21 | 96.6° | 176.8° |
| C15 | N4 | C18 | H22 | 156.8° | 178.5° |
| C15 | N4 | C18 | H23 | 84.1° | 61.3° |
| C14 | C13 | C12 | C11 | 0.2° | 0.2° |
| C14 | C13 | C12 | H9 | 180.0° | 179.8° |
| C14 | C13 | C12 | N3 | 177.6° | 179.8° |
| C13 | C14 | C19 | H24 | 179.9° | 179.7° |
| C6 | C7 | C8 | C9 | 0.2° | 0.1° |
| C6 | C7 | C8 | H5 | 180.0° | 180.0° |
| C6 | C7 | C8 | H6 | 179.8° | 180.0° |
| C11 | N2 | C10 | H29 | 122.4° | 179.9° |
| C11 | N2 | C10 | C9 | 61.5° | 180.0° |
| N2 | C11 | C12 | C13 | 178.1° | 179.5° |
| N2 | C11 | C12 | N3 | 0.7° | 0.5° |
| C11 | N2 | C10 | H7 | 59.0° | 59.9° |
| C11 | N2 | C10 | H8 | 178.0° | 60.0° |
| N2 | C11 | C20 | H14 | 0.7° | 0.1° |
| C10 | N2 | C11 | C12 | 52.6° | 175.0° |
| N2 | C10 | C9 | H7 | 120.5° | 120.1° |
| N2 | C10 | C9 | H8 | 120.5° | 119.9° |
| N2 | C10 | C9 | C8 | 128.1° | 90.5° |
| N2 | C10 | H7 | H8 | 118.5° | 120.0° |
| C11 | C12 | C13 | N3 | 177.8° | 180.0° |
| C11 | C12 | N3 | O3 | 49.0° | 142.1° |
| C11 | C12 | N3 | O4 | 136.9° | 37.8° |
| C11 | C12 | C13 | H9 | 179.9° | 180.0° |
| C12 | C11 | C20 | H14 | 178.1° | 180.0° |
| C12 | C11 | N2 | H29 | 69.8° | 4.9° |
| C10 | C9 | C8 | C7 | 179.6° | 179.8° |
| C10 | C9 | C8 | H6 | 0.4° | 0.3° |
| C9 | C10 | H7 | H8 | 118.5° | 120.0° |
| C10 | C9 | C21 | H15 | 1.2° | 0.3° |
| C9 | C10 | N2 | H29 | 176.1° | 0.1° |
| C9 | C8 | C7 | H6 | 180.0° | 179.9° |
| C9 | C8 | C7 | H5 | 179.9° | 180.0° |
| C8 | C9 | C10 | H7 | 7.6° | 29.5° |
| C8 | C9 | C10 | H8 | 111.4° | 149.5° |
| C8 | C9 | C21 | H15 | 179.0° | 179.8° |
| C16 | C15 | H10 | H11 | 118.4° | 120.1° |
| C15 | C16 | H20 | H21 | 118.3° | 120.1° |
| C13 | C12 | N3 | O3 | 128.5° | 37.9° |
| C13 | C12 | N3 | O4 | 45.7° | 142.2° |
| C8 | C7 | C6 | H4 | 179.7° | 180.0° |
| C12 | N3 | O3 | O4 | 174.6° | 180.0° |
| N3 | C12 | C13 | H9 | 2.3° | 0.0° |
| H4 | C6 | C7 | H5 | 0.3° | 0.1° |
| H5 | C7 | C8 | H6 | 0.1° | 0.1° |
| H7 | C10 | N2 | H29 | 63.4° | 120.0° |
| H8 | C10 | N2 | H29 | 55.6° | 120.0° |
| H10 | C15 | C16 | H20 | 95.0° | 177.0° |
| H10 | C15 | C16 | H21 | 23.9° | 57.0° |
| H11 | C15 | C16 | H20 | 24.0° | 56.9° |
| H11 | C15 | C16 | H21 | 142.9° | 63.1° |
| H12 | C17 | C18 | H22 | 135.5° | 63.2° |
| H12 | C17 | C18 | H23 | 16.5° | 56.8° |
| H13 | C17 | C18 | H22 | 17.0° | 57.0° |
| H13 | C17 | C18 | H23 | 102.0° | 177.0° |
| H14 | C20 | C19 | H24 | 1.3° | 0.6° |
| H16 | C22 | C23 | H26 | 65.7° | 179.2° |
| H17 | C22 | C23 | H26 | 173.6° | 59.3° |
| H18 | C24 | C1 | H19 | 178.8° | 177.8° |
| H18 | C24 | C23 | H26 | 174.8° | 177.8° |
| H18 | C24 | O7 | H33 | 57.0° | 59.9° |
| H19 | C1 | C2 | H25 | 178.3° | 179.3° |
| H19 | C1 | O1 | H30 | 60.9° | 60.1° |
| H25 | C2 | C3 | H27 | 66.9° | 63.2° |
| H25 | C2 | C3 | H28 | 54.2° | 56.8° |
| H26 | C23 | O6 | H32 | 57.6° | 59.9° |
| H27 | C3 | O2 | H31 | 60.5° | 60.0° |
| H28 | C3 | O2 | H31 | 60.5° | 60.0° |
