HUO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.36Å | 1.39Å | Aromatic |
| C18 | C14 | doub | 1.39Å | 1.33Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.34Å | Aromatic |
| C14 | S1 | sing | 1.76Å | 1.71Å | Aromatic |
| C15 | C13 | doub | 1.42Å | 1.34Å | Aromatic |
| C13 | N4 | sing | 1.33Å | 1.35Å | Aromatic |
| S1 | C12 | sing | 1.76Å | 1.65Å | Aromatic |
| N4 | C12 | doub | 1.29Å | 1.33Å | Aromatic |
| C12 | C11 | sing | 1.47Å | 1.33Å | |
| O3 | C11 | doub | 1.21Å | 1.23Å | |
| C11 | C5 | sing | 1.51Å | 1.54Å | |
| C22 | C20 | sing | 1.53Å | 1.51Å | |
| C5 | N2 | sing | 1.46Å | 1.46Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | C3 | sing | 1.53Å | 1.53Å | |
| N2 | C4 | sing | 1.35Å | 1.33Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| C4 | O2 | doub | 1.21Å | 1.23Å | |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| C3 | N1 | sing | 1.46Å | 1.45Å | |
| C7 | C8 | sing | 1.55Å | 1.52Å | |
| C7 | C10 | sing | 1.51Å | 1.53Å | |
| C8 | C9 | sing | 1.54Å | 1.54Å | |
| N1 | C2 | sing | 1.35Å | 1.32Å | |
| O4 | C10 | doub | 1.21Å | 1.22Å | |
| C10 | N3 | sing | 1.35Å | 1.34Å | |
| C9 | N3 | sing | 1.47Å | 1.48Å | |
| C2 | O1 | doub | 1.21Å | 1.24Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C26 | C24 | sing | 1.53Å | 1.52Å | |
| C1 | C24 | sing | 1.53Å | 1.50Å | |
| C1 | N5 | sing | 1.46Å | 1.45Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| N5 | C23 | sing | 1.35Å | 1.33Å | |
| O6 | C23 | doub | 1.21Å | 1.23Å | |
| C23 | O5 | sing | 1.35Å | 1.35Å | |
| O5 | C27 | sing | 1.45Å | 1.43Å | |
| C27 | C28 | sing | 1.51Å | 1.54Å | |
| C29 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| N3 | H4 | sing | 0.97Å | 1.00Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.08Å | 1.08Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.08Å | 1.08Å | |
| C31 | H34 | sing | 1.08Å | 1.08Å | |
| C32 | H35 | sing | 1.08Å | 1.08Å | |
| C33 | H36 | sing | 1.08Å | 1.08Å | |
| C7 | H37 | sing | 1.09Å | 1.10Å | |
| C9 | H38 | sing | 1.09Å | 1.10Å | |
| C9 | H39 | sing | 1.09Å | 1.10Å | |
| N2 | H40 | sing | 0.97Å | 1.00Å | |
| N5 | H41 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C17 | C18 | 118.4° | 120.1° |
| C17 | C16 | C15 | 117.8° | 120.9° |
| C17 | C16 | H10 | 121.1° | 119.5° |
| C16 | C17 | H11 | 120.8° | 120.0° |
| C17 | C18 | C14 | 121.1° | 120.0° |
| C18 | C17 | H11 | 120.8° | 120.0° |
| C17 | C18 | H12 | 119.4° | 119.9° |
| C16 | C15 | C13 | 121.9° | 120.5° |
| C16 | C15 | H9 | 119.0° | 119.8° |
| C15 | C16 | H10 | 121.1° | 119.5° |
| C18 | C14 | C13 | 121.0° | 120.3° |
| C18 | C14 | S1 | 131.4° | 131.4° |
| C14 | C18 | H12 | 119.5° | 120.0° |
| C13 | C14 | S1 | 107.6° | 108.3° |
| C14 | C13 | C15 | 119.8° | 118.2° |
| C14 | C13 | N4 | 113.1° | 113.0° |
| C14 | S1 | C12 | 94.9° | 90.3° |
| C15 | C13 | N4 | 127.1° | 128.8° |
| C13 | C15 | H9 | 119.1° | 119.8° |
| C13 | N4 | C12 | 116.6° | 118.2° |
| S1 | C12 | N4 | 107.8° | 110.2° |
| S1 | C12 | C11 | 131.6° | 124.9° |
| N4 | C12 | C11 | 120.5° | 124.9° |
| C12 | C11 | O3 | 120.6° | 120.0° |
| C12 | C11 | C5 | 111.3° | 120.0° |
| O3 | C11 | C5 | 118.6° | 120.0° |
| C11 | C5 | N2 | 111.8° | 109.5° |
| C11 | C5 | C6 | 114.6° | 109.5° |
| C11 | C5 | H3 | 106.1° | 109.4° |
| C22 | C20 | C19 | 109.5° | 109.5° |
| C22 | C20 | C21 | 107.8° | 109.5° |
| C22 | C20 | H15 | 110.4° | 109.4° |
| C20 | C22 | H19 | 109.5° | 109.4° |
| C20 | C22 | H20 | 109.4° | 109.5° |
| C20 | C22 | H21 | 109.5° | 109.5° |
| N2 | C5 | C6 | 110.8° | 109.5° |
| C5 | N2 | C4 | 119.8° | 120.0° |
| N2 | C5 | H3 | 106.9° | 109.5° |
| C5 | N2 | H40 | 120.1° | 120.0° |
| C5 | C6 | C7 | 107.2° | 109.4° |
| C6 | C5 | H3 | 106.1° | 109.5° |
| C5 | C6 | H6 | 110.0° | 109.5° |
| C5 | C6 | H7 | 110.0° | 109.5° |
| C20 | C19 | C3 | 109.6° | 109.5° |
| C19 | C20 | C21 | 108.8° | 109.5° |
| C20 | C19 | H13 | 109.5° | 109.5° |
| C20 | C19 | H14 | 109.4° | 109.5° |
| C19 | C20 | H15 | 110.2° | 109.4° |
| C19 | C3 | C4 | 110.4° | 109.5° |
| C19 | C3 | N1 | 109.8° | 109.5° |
| C3 | C19 | H13 | 109.4° | 109.4° |
| C3 | C19 | H14 | 109.4° | 109.5° |
| C19 | C3 | H32 | 109.5° | 109.5° |
| N2 | C4 | O2 | 124.3° | 120.0° |
| N2 | C4 | C3 | 114.5° | 120.0° |
| C4 | N2 | H40 | 120.1° | 120.0° |
| C21 | C20 | H15 | 110.2° | 109.5° |
| C20 | C21 | H16 | 109.5° | 109.4° |
| C20 | C21 | H17 | 109.5° | 109.5° |
| C20 | C21 | H18 | 109.5° | 109.5° |
| C6 | C7 | C8 | 109.8° | 110.5° |
| C6 | C7 | C10 | 111.2° | 110.5° |
| C7 | C6 | H6 | 110.1° | 109.4° |
| C7 | C6 | H7 | 110.0° | 109.5° |
| C6 | C7 | H37 | 111.5° | 110.4° |
| O2 | C4 | C3 | 121.1° | 120.0° |
| C4 | C3 | N1 | 107.1° | 109.5° |
| C4 | C3 | H32 | 109.6° | 109.4° |
| C3 | N1 | C2 | 120.5° | 120.0° |
| C3 | N1 | H5 | 119.8° | 120.0° |
| N1 | C3 | H32 | 110.6° | 109.5° |
| C8 | C7 | C10 | 99.8° | 104.2° |
| C7 | C8 | C9 | 101.1° | 101.8° |
| C7 | C8 | H1 | 111.5° | 111.0° |
| C7 | C8 | H2 | 111.5° | 111.0° |
| C8 | C7 | H37 | 112.1° | 110.5° |
| C7 | C10 | O4 | 123.7° | 125.0° |
| C7 | C10 | N3 | 111.8° | 110.1° |
| C10 | C7 | H37 | 111.8° | 110.6° |
| C8 | C9 | N3 | 103.2° | 105.5° |
| C9 | C8 | H1 | 111.5° | 110.9° |
| C9 | C8 | H2 | 111.5° | 110.9° |
| C8 | C9 | H38 | 111.0° | 110.2° |
| C8 | C9 | H39 | 111.0° | 110.3° |
| N1 | C2 | O1 | 124.3° | 120.0° |
| N1 | C2 | C1 | 113.9° | 120.0° |
| C2 | N1 | H5 | 119.8° | 120.0° |
| O4 | C10 | N3 | 124.5° | 124.9° |
| C10 | N3 | C9 | 107.6° | 111.3° |
| C10 | N3 | H4 | 126.2° | 124.3° |
| C9 | N3 | H4 | 126.2° | 124.4° |
| N3 | C9 | H38 | 111.0° | 110.3° |
| N3 | C9 | H39 | 111.0° | 110.2° |
| O1 | C2 | C1 | 121.7° | 120.0° |
| C2 | C1 | C24 | 109.2° | 109.5° |
| C2 | C1 | N5 | 106.8° | 109.4° |
| C2 | C1 | H8 | 111.2° | 109.5° |
| C26 | C24 | C1 | 109.4° | 109.4° |
| C26 | C24 | C25 | 111.8° | 109.5° |
| C26 | C24 | H22 | 109.3° | 109.5° |
| C24 | C26 | H26 | 109.5° | 109.5° |
| C24 | C26 | H27 | 109.4° | 109.5° |
| C24 | C26 | H28 | 109.5° | 109.5° |
| C24 | C1 | N5 | 105.5° | 109.5° |
| C1 | C24 | C25 | 107.9° | 109.5° |
| C24 | C1 | H8 | 111.5° | 109.5° |
| C1 | C24 | H22 | 109.5° | 109.4° |
| C1 | N5 | C23 | 123.6° | 120.0° |
| N5 | C1 | H8 | 112.3° | 109.5° |
| C1 | N5 | H41 | 118.2° | 120.0° |
| C25 | C24 | H22 | 109.0° | 109.5° |
| C24 | C25 | H23 | 109.5° | 109.5° |
| C24 | C25 | H24 | 109.5° | 109.5° |
| C24 | C25 | H25 | 109.4° | 109.5° |
| N5 | C23 | O6 | 120.7° | 120.0° |
| N5 | C23 | O5 | 118.5° | 120.0° |
| C23 | N5 | H41 | 118.2° | 120.0° |
| O6 | C23 | O5 | 120.8° | 120.0° |
| C23 | O5 | C27 | 111.1° | 117.0° |
| O5 | C27 | C28 | 111.9° | 109.4° |
| O5 | C27 | H29 | 108.9° | 109.4° |
| O5 | C27 | H30 | 108.9° | 109.5° |
| C27 | C28 | C29 | 119.9° | 120.0° |
| C27 | C28 | C33 | 119.5° | 120.0° |
| C28 | C27 | H29 | 108.9° | 109.5° |
| C28 | C27 | H30 | 108.8° | 109.5° |
| C28 | C29 | C30 | 120.9° | 120.0° |
| C29 | C28 | C33 | 120.6° | 120.0° |
| C28 | C29 | H31 | 119.6° | 120.0° |
| C29 | C30 | C31 | 118.1° | 120.0° |
| C30 | C29 | H31 | 119.5° | 120.0° |
| C29 | C30 | H33 | 120.9° | 120.0° |
| C28 | C33 | C32 | 118.9° | 120.0° |
| C28 | C33 | H36 | 120.5° | 120.0° |
| C30 | C31 | C32 | 121.5° | 120.0° |
| C31 | C30 | H33 | 120.9° | 120.0° |
| C30 | C31 | H34 | 119.2° | 120.0° |
| C33 | C32 | C31 | 119.9° | 120.0° |
| C33 | C32 | H35 | 120.1° | 120.0° |
| C32 | C33 | H36 | 120.6° | 120.0° |
| C32 | C31 | H34 | 119.2° | 120.0° |
| C31 | C32 | H35 | 120.0° | 120.0° |
| H1 | C8 | H2 | 109.5° | 110.9° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H13 | C19 | H14 | 109.5° | 109.4° |
| H16 | C21 | H17 | 109.5° | 109.5° |
| H16 | C21 | H18 | 109.5° | 109.4° |
| H17 | C21 | H18 | 109.5° | 109.5° |
| H19 | C22 | H20 | 109.5° | 109.4° |
| H19 | C22 | H21 | 109.5° | 109.5° |
| H20 | C22 | H21 | 109.5° | 109.5° |
| H23 | C25 | H24 | 109.4° | 109.5° |
| H23 | C25 | H25 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.5° |
| H26 | C26 | H27 | 109.5° | 109.5° |
| H26 | C26 | H28 | 109.5° | 109.4° |
| H27 | C26 | H28 | 109.5° | 109.4° |
| H29 | C27 | H30 | 109.5° | 109.5° |
| H38 | C9 | H39 | 109.4° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C17 | C18 | H11 | 180.0° | 179.8° |
| C17 | C16 | C15 | H10 | 180.0° | 179.9° |
| C16 | C17 | C18 | C14 | 0.2° | 0.1° |
| C17 | C16 | C15 | C13 | 0.1° | 0.0° |
| C17 | C16 | C15 | H9 | 180.0° | 180.0° |
| C16 | C17 | C18 | H12 | 179.8° | 180.0° |
| C18 | C17 | C16 | C15 | 0.3° | 0.2° |
| C17 | C18 | C14 | H12 | 180.0° | 179.9° |
| C17 | C18 | C14 | C13 | 0.1° | 0.0° |
| C17 | C18 | C14 | S1 | 179.7° | 179.9° |
| C18 | C17 | C16 | H10 | 179.7° | 179.9° |
| C16 | C15 | C13 | C14 | 0.3° | 0.1° |
| C16 | C15 | C13 | H9 | 180.0° | 180.0° |
| C16 | C15 | C13 | N4 | 179.8° | 180.0° |
| C15 | C16 | C17 | H11 | 179.7° | 180.0° |
| C18 | C14 | C13 | S1 | 179.7° | 179.9° |
| C18 | C14 | C13 | C15 | 0.3° | 0.2° |
| C18 | C14 | C13 | N4 | 179.9° | 180.0° |
| C18 | C14 | S1 | C12 | 179.5° | 179.9° |
| C14 | C18 | C17 | H11 | 179.7° | 180.0° |
| C14 | C13 | C15 | N4 | 179.5° | 179.9° |
| C13 | C14 | S1 | C12 | 0.9° | 0.2° |
| C14 | C13 | N4 | C12 | 0.6° | 0.1° |
| C14 | C13 | C15 | H9 | 179.7° | 179.9° |
| C13 | C14 | C18 | H12 | 179.9° | 179.9° |
| S1 | C14 | C13 | C15 | 180.0° | 179.8° |
| S1 | C14 | C13 | N4 | 0.4° | 0.1° |
| C14 | S1 | C12 | N4 | 1.2° | 0.2° |
| C14 | S1 | C12 | C11 | 178.1° | 180.0° |
| S1 | C14 | C18 | H12 | 0.3° | 0.2° |
| C15 | C13 | N4 | C12 | 179.0° | 180.0° |
| C13 | C15 | C16 | H10 | 179.9° | 179.9° |
| C13 | N4 | C12 | S1 | 1.2° | 0.3° |
| C13 | N4 | C12 | C11 | 178.5° | 180.0° |
| N4 | C13 | C15 | H9 | 0.2° | 0.0° |
| S1 | C12 | N4 | C11 | 177.3° | 179.8° |
| S1 | C12 | C11 | O3 | 121.1° | 172.8° |
| S1 | C12 | C11 | C5 | 93.1° | 7.2° |
| N4 | C12 | C11 | O3 | 62.4° | 7.0° |
| N4 | C12 | C11 | C5 | 83.5° | 173.0° |
| C12 | C11 | O3 | C5 | 143.4° | 180.0° |
| C12 | C11 | C5 | N2 | 50.2° | 151.7° |
| C12 | C11 | C5 | C6 | 177.3° | 88.3° |
| C12 | C11 | C5 | H3 | 66.0° | 31.7° |
| O3 | C11 | C5 | N2 | 163.3° | 28.3° |
| O3 | C11 | C5 | C6 | 36.1° | 91.7° |
| O3 | C11 | C5 | H3 | 80.6° | 148.2° |
| C11 | C5 | N2 | C6 | 129.2° | 120.0° |
| C11 | C5 | N2 | H3 | 115.7° | 119.9° |
| C11 | C5 | C6 | H3 | 116.7° | 120.0° |
| C11 | C5 | N2 | C4 | 116.1° | 157.8° |
| C11 | C5 | C6 | C7 | 160.9° | 67.4° |
| C11 | C5 | C6 | H6 | 79.5° | 172.7° |
| C11 | C5 | C6 | H7 | 41.2° | 52.6° |
| C11 | C5 | N2 | H40 | 63.9° | 22.2° |
| C22 | C20 | C19 | C21 | 117.5° | 120.0° |
| C22 | C20 | C19 | H15 | 121.6° | 119.9° |
| C22 | C20 | C19 | C3 | 177.5° | 64.9° |
| C22 | C20 | C21 | H15 | 120.6° | 119.9° |
| C22 | C20 | C19 | H13 | 62.5° | 55.0° |
| C22 | C20 | C19 | H14 | 57.5° | 175.0° |
| C22 | C20 | C21 | H16 | 180.0° | 60.1° |
| C22 | C20 | C21 | H17 | 60.0° | 60.0° |
| C22 | C20 | C21 | H18 | 60.0° | 180.0° |
| C20 | C22 | H19 | H20 | 120.0° | 119.9° |
| C20 | C22 | H19 | H21 | 120.0° | 120.0° |
| C20 | C22 | H20 | H21 | 120.0° | 120.1° |
| N2 | C5 | C6 | H3 | 115.7° | 120.0° |
| C5 | N2 | C4 | H40 | 180.0° | 180.0° |
| N2 | C5 | C6 | C7 | 71.5° | 172.6° |
| C5 | N2 | C4 | O2 | 1.9° | 5.0° |
| C5 | N2 | C4 | C3 | 179.9° | 175.0° |
| N2 | C5 | C6 | H6 | 48.2° | 52.7° |
| N2 | C5 | C6 | H7 | 168.9° | 67.4° |
| C6 | C5 | N2 | C4 | 114.7° | 82.2° |
| C5 | C6 | C7 | H6 | 119.6° | 120.0° |
| C5 | C6 | C7 | H7 | 119.6° | 120.0° |
| C5 | C6 | C7 | C8 | 72.1° | 173.0° |
| C5 | C6 | C7 | C10 | 178.3° | 72.2° |
| C5 | C6 | H6 | H7 | 121.0° | 120.1° |
| C5 | C6 | C7 | H37 | 52.7° | 50.5° |
| C6 | C5 | N2 | H40 | 65.3° | 97.8° |
| C20 | C19 | C3 | H13 | 120.0° | 120.0° |
| C20 | C19 | C3 | H14 | 120.0° | 120.1° |
| C19 | C20 | C21 | H15 | 120.9° | 120.0° |
| C20 | C19 | C3 | C4 | 178.7° | 175.0° |
| C20 | C19 | C3 | N1 | 63.6° | 65.0° |
| C20 | C19 | H13 | H14 | 119.9° | 120.0° |
| C19 | C20 | C21 | H16 | 61.4° | 60.0° |
| C19 | C20 | C21 | H17 | 178.6° | 180.0° |
| C19 | C20 | C21 | H18 | 58.6° | 60.0° |
| C19 | C20 | C22 | H19 | 180.0° | 60.0° |
| C19 | C20 | C22 | H20 | 60.0° | 59.9° |
| C19 | C20 | C22 | H21 | 60.0° | 180.0° |
| C20 | C19 | C3 | H32 | 58.0° | 55.0° |
| C19 | C3 | C4 | N2 | 100.2° | 60.0° |
| C3 | C19 | C20 | C21 | 65.0° | 175.0° |
| C19 | C3 | C4 | O2 | 78.1° | 120.0° |
| C19 | C3 | C4 | N1 | 119.4° | 120.0° |
| C19 | C3 | C4 | H32 | 120.6° | 120.0° |
| C19 | C3 | N1 | H32 | 120.9° | 120.0° |
| C19 | C3 | N1 | C2 | 171.5° | 85.0° |
| C19 | C3 | N1 | H5 | 8.5° | 95.0° |
| C3 | C19 | H13 | H14 | 120.0° | 119.9° |
| C3 | C19 | C20 | H15 | 55.8° | 55.0° |
| N2 | C4 | O2 | C3 | 178.1° | 180.0° |
| N2 | C4 | C3 | N1 | 140.4° | 180.0° |
| C4 | N2 | C5 | H3 | 0.5° | 37.8° |
| N2 | C4 | C3 | H32 | 20.4° | 60.0° |
| C21 | C20 | C19 | H13 | 55.0° | 65.0° |
| C21 | C20 | C19 | H14 | 175.0° | 55.0° |
| C20 | C21 | H16 | H17 | 120.0° | 120.0° |
| C20 | C21 | H16 | H18 | 120.0° | 119.9° |
| C20 | C21 | H17 | H18 | 120.0° | 120.0° |
| C21 | C20 | C22 | H19 | 61.9° | 60.1° |
| C21 | C20 | C22 | H20 | 178.1° | 180.0° |
| C21 | C20 | C22 | H21 | 58.1° | 60.0° |
| C6 | C7 | C8 | C10 | 116.9° | 118.7° |
| C6 | C7 | C8 | H37 | 124.5° | 122.5° |
| C6 | C7 | C10 | H37 | 125.5° | 122.6° |
| C6 | C7 | C8 | C9 | 153.6° | 143.5° |
| C6 | C7 | C10 | O4 | 40.8° | 45.0° |
| C6 | C7 | C10 | N3 | 139.3° | 134.9° |
| C6 | C7 | C8 | H1 | 34.9° | 25.4° |
| C6 | C7 | C8 | H2 | 87.8° | 98.4° |
| C7 | C6 | C5 | H3 | 44.2° | 52.6° |
| C7 | C6 | H6 | H7 | 121.1° | 120.0° |
| O2 | C4 | C3 | N1 | 41.3° | 0.0° |
| O2 | C4 | C3 | H32 | 161.3° | 120.0° |
| O2 | C4 | N2 | H40 | 178.1° | 175.0° |
| C4 | C3 | N1 | H32 | 119.3° | 119.9° |
| C4 | C3 | N1 | C2 | 68.7° | 155.0° |
| C4 | C3 | N1 | H5 | 111.3° | 25.0° |
| C4 | C3 | C19 | H13 | 58.7° | 55.0° |
| C4 | C3 | C19 | H14 | 61.3° | 64.9° |
| C3 | C4 | N2 | H40 | 0.1° | 5.0° |
| C3 | N1 | C2 | H5 | 180.0° | 180.0° |
| C3 | N1 | C2 | O1 | 0.6° | 5.1° |
| C3 | N1 | C2 | C1 | 178.5° | 174.9° |
| N1 | C3 | C19 | H13 | 176.4° | 175.0° |
| N1 | C3 | C19 | H14 | 56.4° | 55.1° |
| C8 | C7 | C10 | H37 | 118.7° | 118.8° |
| C7 | C8 | C9 | H1 | 118.7° | 118.1° |
| C7 | C8 | C9 | H2 | 118.6° | 118.2° |
| C8 | C7 | C10 | O4 | 156.6° | 163.7° |
| C8 | C7 | C10 | N3 | 23.5° | 16.3° |
| C7 | C8 | C9 | N3 | 39.1° | 25.4° |
| C7 | C8 | H1 | H2 | 123.9° | 123.9° |
| C8 | C7 | C6 | H6 | 168.2° | 67.0° |
| C8 | C7 | C6 | H7 | 47.5° | 53.0° |
| C7 | C8 | C9 | H38 | 158.0° | 144.4° |
| C7 | C8 | C9 | H39 | 80.0° | 93.6° |
| C10 | C7 | C8 | C9 | 36.6° | 24.8° |
| C7 | C10 | O4 | N3 | 179.9° | 180.0° |
| C7 | C10 | N3 | C9 | 1.2° | 0.4° |
| C10 | C7 | C8 | H1 | 82.0° | 93.3° |
| C10 | C7 | C8 | H2 | 155.2° | 142.9° |
| C7 | C10 | N3 | H4 | 178.7° | 179.6° |
| C10 | C7 | C6 | H6 | 58.7° | 47.7° |
| C10 | C7 | C6 | H7 | 62.0° | 167.7° |
| C8 | C9 | N3 | C10 | 25.4° | 17.0° |
| C8 | C9 | N3 | H38 | 119.0° | 119.0° |
| C8 | C9 | N3 | H39 | 119.0° | 119.0° |
| C9 | C8 | H1 | H2 | 123.9° | 123.8° |
| C8 | C9 | N3 | H4 | 154.6° | 163.0° |
| C9 | C8 | C7 | H37 | 81.9° | 94.0° |
| C8 | C9 | H38 | H39 | 122.9° | 122.0° |
| N1 | C2 | O1 | C1 | 177.7° | 180.0° |
| N1 | C2 | C1 | C24 | 128.6° | 84.1° |
| N1 | C2 | C1 | N5 | 117.7° | 156.0° |
| N1 | C2 | C1 | H8 | 5.1° | 35.9° |
| C2 | N1 | C3 | H32 | 50.7° | 35.0° |
| O4 | C10 | N3 | C9 | 178.7° | 179.6° |
| O4 | C10 | N3 | H4 | 1.3° | 0.4° |
| O4 | C10 | C7 | H37 | 84.7° | 77.5° |
| C10 | N3 | C9 | H4 | 180.0° | 180.0° |
| N3 | C10 | C7 | H37 | 95.2° | 102.5° |
| C10 | N3 | C9 | H38 | 144.4° | 136.0° |
| C10 | N3 | C9 | H39 | 93.6° | 102.0° |
| N3 | C9 | C8 | H1 | 79.6° | 92.7° |
| N3 | C9 | C8 | H2 | 157.7° | 143.6° |
| N3 | C9 | H38 | H39 | 122.9° | 122.0° |
| O1 | C2 | C1 | C24 | 53.5° | 95.9° |
| O1 | C2 | C1 | N5 | 60.2° | 24.1° |
| O1 | C2 | N1 | H5 | 179.4° | 174.9° |
| O1 | C2 | C1 | H8 | 177.0° | 144.1° |
| C2 | C1 | C24 | C26 | 54.3° | 65.1° |
| C2 | C1 | C24 | N5 | 114.5° | 119.9° |
| C2 | C1 | C24 | H8 | 123.3° | 120.0° |
| C2 | C1 | N5 | H8 | 122.2° | 120.0° |
| C2 | C1 | C24 | C25 | 176.1° | 54.8° |
| C2 | C1 | N5 | C23 | 123.8° | 155.0° |
| C1 | C2 | N1 | H5 | 1.5° | 5.1° |
| C2 | C1 | C24 | H22 | 65.4° | 174.8° |
| C2 | C1 | N5 | H41 | 56.1° | 25.0° |
| C26 | C24 | C1 | C25 | 121.8° | 120.0° |
| C26 | C24 | C1 | H22 | 119.7° | 120.0° |
| C26 | C24 | C1 | N5 | 168.8° | 174.9° |
| C26 | C24 | C25 | H22 | 120.9° | 120.1° |
| C26 | C24 | C1 | H8 | 69.0° | 54.8° |
| C26 | C24 | C25 | H23 | 180.0° | 60.0° |
| C26 | C24 | C25 | H24 | 60.0° | 60.0° |
| C26 | C24 | C25 | H25 | 60.0° | 180.0° |
| C24 | C26 | H26 | H27 | 120.0° | 120.0° |
| C24 | C26 | H26 | H28 | 120.0° | 120.0° |
| C24 | C26 | H27 | H28 | 120.0° | 120.0° |
| C24 | C1 | N5 | H8 | 121.7° | 120.0° |
| C1 | C24 | C25 | H22 | 118.8° | 120.0° |
| C24 | C1 | N5 | C23 | 120.0° | 85.0° |
| C1 | C24 | C25 | H23 | 59.7° | 60.0° |
| C1 | C24 | C25 | H24 | 179.7° | 180.0° |
| C1 | C24 | C25 | H25 | 60.3° | 60.0° |
| C1 | C24 | C26 | H26 | 180.0° | 58.4° |
| C1 | C24 | C26 | H27 | 60.0° | 61.6° |
| C1 | C24 | C26 | H28 | 60.0° | 178.4° |
| C24 | C1 | N5 | H41 | 60.0° | 95.0° |
| N5 | C1 | C24 | C25 | 69.4° | 65.1° |
| C1 | N5 | C23 | H41 | 180.0° | 180.0° |
| C1 | N5 | C23 | O6 | 1.2° | 0.0° |
| C1 | N5 | C23 | O5 | 178.5° | 180.0° |
| N5 | C1 | C24 | H22 | 49.1° | 54.9° |
| C25 | C24 | C1 | H8 | 52.8° | 174.8° |
| C24 | C25 | H23 | H24 | 120.0° | 120.0° |
| C24 | C25 | H23 | H25 | 120.0° | 120.0° |
| C24 | C25 | H24 | H25 | 120.0° | 120.0° |
| C25 | C24 | C26 | H26 | 60.6° | 61.5° |
| C25 | C24 | C26 | H27 | 179.4° | 178.4° |
| C25 | C24 | C26 | H28 | 59.4° | 58.5° |
| N5 | C23 | O6 | O5 | 179.6° | 180.0° |
| N5 | C23 | O5 | C27 | 173.4° | 180.0° |
| C23 | N5 | C1 | H8 | 1.7° | 35.0° |
| O6 | C23 | O5 | C27 | 6.3° | 0.0° |
| O6 | C23 | N5 | H41 | 178.8° | 180.0° |
| C23 | O5 | C27 | C28 | 77.5° | 180.0° |
| C23 | O5 | C27 | H29 | 42.9° | 60.0° |
| C23 | O5 | C27 | H30 | 162.1° | 60.0° |
| O5 | C23 | N5 | H41 | 1.5° | 0.0° |
| O5 | C27 | C28 | H29 | 120.4° | 120.0° |
| O5 | C27 | C28 | H30 | 120.4° | 120.0° |
| O5 | C27 | C28 | C29 | 104.7° | 89.8° |
| O5 | C27 | C28 | C33 | 75.6° | 90.0° |
| O5 | C27 | H29 | H30 | 118.9° | 120.0° |
| C27 | C28 | C29 | C33 | 179.7° | 179.8° |
| C27 | C28 | C29 | C30 | 179.6° | 180.0° |
| C27 | C28 | C33 | C32 | 179.8° | 179.7° |
| C28 | C27 | H29 | H30 | 118.9° | 120.1° |
| C27 | C28 | C29 | H31 | 0.4° | 0.1° |
| C27 | C28 | C33 | H36 | 0.3° | 0.0° |
| C28 | C29 | C30 | H31 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.0° | 0.0° |
| C29 | C28 | C33 | C32 | 0.0° | 0.5° |
| C29 | C28 | C27 | H29 | 15.7° | 30.2° |
| C29 | C28 | C27 | H30 | 134.9° | 150.2° |
| C28 | C29 | C30 | H33 | 180.0° | 180.0° |
| C29 | C28 | C33 | H36 | 180.0° | 179.8° |
| C30 | C29 | C28 | C33 | 0.1° | 0.3° |
| C29 | C30 | C31 | H33 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.3° | 0.0° |
| C29 | C30 | C31 | H34 | 179.7° | 180.0° |
| C28 | C33 | C32 | H36 | 180.0° | 179.7° |
| C28 | C33 | C32 | C31 | 0.3° | 0.5° |
| C33 | C28 | C27 | H29 | 164.0° | 150.0° |
| C33 | C28 | C27 | H30 | 44.8° | 30.0° |
| C33 | C28 | C29 | H31 | 179.9° | 179.7° |
| C28 | C33 | C32 | H35 | 179.6° | 179.7° |
| C30 | C31 | C32 | C33 | 0.5° | 0.2° |
| C30 | C31 | C32 | H34 | 180.0° | 180.0° |
| C31 | C30 | C29 | H31 | 180.0° | 179.9° |
| C30 | C31 | C32 | H35 | 179.5° | 179.9° |
| C33 | C32 | C31 | H35 | 180.0° | 179.8° |
| C33 | C32 | C31 | H34 | 179.5° | 179.8° |
| C32 | C31 | C30 | H33 | 179.7° | 180.0° |
| C31 | C32 | C33 | H36 | 179.7° | 179.8° |
| H1 | C8 | C7 | H37 | 159.4° | 147.9° |
| H1 | C8 | C9 | H38 | 39.4° | 26.3° |
| H1 | C8 | C9 | H39 | 161.4° | 148.3° |
| H2 | C8 | C7 | H37 | 36.7° | 24.1° |
| H2 | C8 | C9 | H38 | 83.3° | 97.4° |
| H2 | C8 | C9 | H39 | 38.7° | 24.6° |
| H3 | C5 | C6 | H6 | 163.8° | 67.4° |
| H3 | C5 | C6 | H7 | 75.5° | 172.6° |
| H3 | C5 | N2 | H40 | 179.5° | 142.1° |
| H4 | N3 | C9 | H38 | 35.5° | 44.0° |
| H4 | N3 | C9 | H39 | 86.4° | 78.0° |
| H5 | N1 | C3 | H32 | 129.3° | 144.9° |
| H6 | C6 | C7 | H37 | 66.9° | 170.4° |
| H7 | C6 | C7 | H37 | 172.3° | 69.6° |
| H8 | C1 | C24 | H22 | 171.2° | 65.2° |
| H8 | C1 | N5 | H41 | 178.3° | 145.0° |
| H9 | C15 | C16 | H10 | 0.0° | 0.1° |
| H10 | C16 | C17 | H11 | 0.3° | 0.1° |
| H11 | C17 | C18 | H12 | 0.3° | 0.1° |
| H13 | C19 | C20 | H15 | 175.9° | 175.0° |
| H13 | C19 | C3 | H32 | 62.0° | 65.0° |
| H14 | C19 | C20 | H15 | 64.2° | 65.1° |
| H14 | C19 | C3 | H32 | 178.0° | 175.1° |
| H15 | C20 | C21 | H16 | 59.5° | 180.0° |
| H15 | C20 | C21 | H17 | 60.5° | 60.0° |
| H15 | C20 | C21 | H18 | 179.5° | 60.1° |
| H15 | C20 | C22 | H19 | 58.5° | 180.0° |
| H15 | C20 | C22 | H20 | 61.5° | 60.1° |
| H15 | C20 | C22 | H21 | 178.5° | 60.0° |
| H16 | C21 | H17 | H18 | 120.0° | 120.0° |
| H19 | C22 | H20 | H21 | 120.0° | 120.0° |
| H22 | C24 | C25 | H23 | 59.1° | 180.0° |
| H22 | C24 | C25 | H24 | 60.9° | 60.0° |
| H22 | C24 | C25 | H25 | 179.1° | 60.0° |
| H22 | C24 | C26 | H26 | 60.1° | 178.4° |
| H22 | C24 | C26 | H27 | 59.9° | 58.4° |
| H22 | C24 | C26 | H28 | 179.9° | 61.6° |
| H23 | C25 | H24 | H25 | 120.0° | 120.0° |
| H26 | C26 | H27 | H28 | 120.0° | 119.9° |
| H31 | C29 | C30 | H33 | 0.0° | 0.0° |
| H33 | C30 | C31 | H34 | 0.3° | 0.0° |
| H34 | C31 | C32 | H35 | 0.5° | 0.0° |
| H35 | C32 | C33 | H36 | 0.4° | 0.0° |
