OEH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | sing | 1.53Å | 1.49Å | |
| C14 | O1 | sing | 1.43Å | 1.43Å | |
| C13 | O | sing | 1.43Å | 1.44Å | |
| O | C12 | sing | 1.43Å | 1.39Å | |
| O1 | C15 | sing | 1.43Å | 1.42Å | |
| C12 | C11 | sing | 1.53Å | 1.50Å | |
| C11 | N1 | sing | 1.46Å | 1.45Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.50Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| N1 | C10 | sing | 1.35Å | 1.33Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.48Å | 1.50Å | |
| C10 | O2 | doub | 1.22Å | 1.23Å | |
| C9 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.48Å | 1.50Å | |
| C23 | C7 | doub | 1.41Å | 1.41Å | Aromatic |
| C31 | N2 | sing | 1.46Å | 1.46Å | |
| C24 | O3 | doub | 1.21Å | 1.27Å | |
| C24 | O4 | sing | 1.35Å | 1.24Å | |
| C8 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | C26 | doub | 1.35Å | 1.39Å | |
| C27 | C30 | sing | 1.46Å | 1.39Å | |
| C26 | C25 | sing | 1.41Å | 1.39Å | |
| C7 | C6 | sing | 1.47Å | 1.49Å | |
| N2 | C30 | doub | 1.33Å | 1.39Å | |
| N2 | C32 | sing | 1.47Å | 1.46Å | |
| C30 | C29 | sing | 1.41Å | 1.39Å | |
| C25 | C6 | doub | 1.41Å | 1.48Å | |
| C25 | C28 | sing | 1.46Å | 1.40Å | |
| C6 | C5 | sing | 1.47Å | 1.39Å | |
| C29 | C28 | doub | 1.36Å | 1.39Å | |
| C28 | O5 | sing | 1.35Å | 1.38Å | |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | C33 | sing | 1.41Å | 1.46Å | Aromatic |
| C4 | C3 | sing | 1.36Å | 1.38Å | Aromatic |
| O5 | C33 | sing | 1.35Å | 1.38Å | |
| C33 | C34 | doub | 1.39Å | 1.35Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C34 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | N | sing | 1.39Å | 1.36Å | |
| N | C | sing | 1.47Å | 1.44Å | |
| N | C1 | sing | 1.47Å | 1.45Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.08Å | 1.08Å | |
| C22 | H31 | sing | 1.08Å | 1.08Å | |
| C26 | H32 | sing | 1.08Å | 1.08Å | |
| C27 | H33 | sing | 1.08Å | 1.08Å | |
| C29 | H34 | sing | 1.08Å | 1.08Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C32 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C34 | H41 | sing | 1.08Å | 1.08Å | |
| C8 | H42 | sing | 1.08Å | 1.08Å | |
| N1 | H43 | sing | 0.97Å | 1.00Å | |
| O4 | H44 | sing | 0.97Å | 0.95Å | |
| C20 | CL1 | sing | 1.80Å | 1.40Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | O1 | 112.2° | 109.5° |
| C14 | C13 | O | 110.9° | 109.5° |
| C14 | C13 | H13 | 109.1° | 109.5° |
| C14 | C13 | H14 | 109.1° | 109.5° |
| C13 | C14 | H15 | 108.8° | 109.5° |
| C13 | C14 | H16 | 108.8° | 109.5° |
| C14 | O1 | C15 | 113.4° | 114.0° |
| O1 | C14 | H15 | 108.8° | 109.4° |
| O1 | C14 | H16 | 108.8° | 109.4° |
| C13 | O | C12 | 107.6° | 114.0° |
| O | C13 | H13 | 109.1° | 109.4° |
| O | C13 | H14 | 109.1° | 109.4° |
| O | C12 | C11 | 107.4° | 109.5° |
| O | C12 | H11 | 110.0° | 109.5° |
| O | C12 | H12 | 110.0° | 109.5° |
| O1 | C15 | C16 | 108.7° | 109.5° |
| O1 | C15 | H17 | 109.7° | 109.4° |
| O1 | C15 | H18 | 109.7° | 109.5° |
| C12 | C11 | N1 | 107.5° | 109.4° |
| C12 | C11 | H9 | 110.0° | 109.5° |
| C12 | C11 | H10 | 110.0° | 109.4° |
| C11 | C12 | H11 | 110.0° | 109.5° |
| C11 | C12 | H12 | 109.9° | 109.5° |
| C11 | N1 | C10 | 121.3° | 120.0° |
| N1 | C11 | H9 | 110.0° | 109.5° |
| N1 | C11 | H10 | 110.0° | 109.5° |
| C11 | N1 | H43 | 119.4° | 120.0° |
| C15 | C16 | C17 | 112.2° | 109.5° |
| C16 | C15 | H17 | 109.7° | 109.5° |
| C16 | C15 | H18 | 109.7° | 109.5° |
| C15 | C16 | H19 | 108.8° | 109.5° |
| C15 | C16 | H20 | 108.8° | 109.5° |
| C16 | C17 | C18 | 112.7° | 109.5° |
| C17 | C16 | H19 | 108.8° | 109.5° |
| C17 | C16 | H20 | 108.8° | 109.4° |
| C16 | C17 | H21 | 108.7° | 109.5° |
| C16 | C17 | H22 | 108.7° | 109.4° |
| C17 | C18 | C19 | 112.8° | 109.5° |
| C18 | C17 | H21 | 108.7° | 109.5° |
| C18 | C17 | H22 | 108.7° | 109.5° |
| C17 | C18 | H23 | 108.6° | 109.5° |
| C17 | C18 | H24 | 108.6° | 109.4° |
| N1 | C10 | C9 | 116.7° | 120.0° |
| N1 | C10 | O2 | 122.5° | 120.0° |
| C10 | N1 | H43 | 119.3° | 120.1° |
| C18 | C19 | C20 | 113.6° | 109.5° |
| C19 | C18 | H23 | 108.6° | 109.5° |
| C19 | C18 | H24 | 108.6° | 109.5° |
| C18 | C19 | H25 | 108.5° | 109.5° |
| C18 | C19 | H26 | 108.4° | 109.4° |
| C20 | C19 | H25 | 108.4° | 109.5° |
| C20 | C19 | H26 | 108.4° | 109.5° |
| C19 | C20 | H27 | 110.0° | 109.5° |
| C19 | C20 | H28 | 110.0° | 109.4° |
| C19 | C20 | CL1 | 107.3° | 109.5° |
| C22 | C21 | C9 | 120.3° | 120.3° |
| C21 | C22 | C23 | 120.8° | 120.2° |
| C22 | C21 | H30 | 119.9° | 119.9° |
| C21 | C22 | H31 | 119.6° | 119.9° |
| C21 | C9 | C10 | 124.8° | 119.9° |
| C21 | C9 | C8 | 119.2° | 120.1° |
| C9 | C21 | H30 | 119.8° | 119.8° |
| C22 | C23 | C24 | 114.9° | 120.1° |
| C22 | C23 | C7 | 119.0° | 119.8° |
| C23 | C22 | H31 | 119.6° | 119.9° |
| C9 | C10 | O2 | 120.8° | 120.0° |
| C10 | C9 | C8 | 115.9° | 119.9° |
| C9 | C8 | C7 | 121.3° | 119.8° |
| C9 | C8 | H42 | 119.4° | 120.1° |
| C24 | C23 | C7 | 125.7° | 120.1° |
| C23 | C24 | O3 | 116.6° | 120.0° |
| C23 | C24 | O4 | 118.9° | 120.0° |
| C23 | C7 | C8 | 119.3° | 119.7° |
| C23 | C7 | C6 | 124.0° | 120.2° |
| C31 | N2 | C30 | 120.6° | 120.0° |
| C31 | N2 | C32 | 118.0° | 120.0° |
| N2 | C31 | H35 | 109.5° | 109.5° |
| N2 | C31 | H36 | 109.5° | 109.5° |
| N2 | C31 | H37 | 109.4° | 109.4° |
| O3 | C24 | O4 | 123.3° | 120.1° |
| C24 | O4 | H44 | 109.5° | 117.0° |
| C8 | C7 | C6 | 116.4° | 120.1° |
| C7 | C8 | H42 | 119.4° | 120.1° |
| C26 | C27 | C30 | 121.3° | 120.0° |
| C27 | C26 | C25 | 120.9° | 119.9° |
| C27 | C26 | H32 | 119.5° | 120.0° |
| C26 | C27 | H33 | 119.3° | 120.0° |
| C27 | C30 | N2 | 120.6° | 119.9° |
| C27 | C30 | C29 | 118.3° | 120.2° |
| C30 | C27 | H33 | 119.4° | 120.0° |
| C26 | C25 | C6 | 124.8° | 120.6° |
| C26 | C25 | C28 | 117.5° | 120.4° |
| C25 | C26 | H32 | 119.6° | 120.1° |
| C7 | C6 | C25 | 117.8° | 121.2° |
| C7 | C6 | C5 | 120.0° | 121.2° |
| C30 | N2 | C32 | 120.8° | 120.0° |
| N2 | C30 | C29 | 121.1° | 119.9° |
| N2 | C32 | H38 | 109.5° | 109.5° |
| N2 | C32 | H39 | 109.5° | 109.5° |
| N2 | C32 | H40 | 109.5° | 109.5° |
| C30 | C29 | C28 | 120.0° | 119.9° |
| C30 | C29 | H34 | 120.0° | 120.1° |
| C6 | C25 | C28 | 117.7° | 119.0° |
| C25 | C6 | C5 | 121.7° | 117.7° |
| C25 | C28 | C29 | 122.0° | 119.5° |
| C25 | C28 | O5 | 121.9° | 120.4° |
| C6 | C5 | C4 | 126.2° | 120.4° |
| C6 | C5 | C33 | 116.0° | 119.6° |
| C29 | C28 | O5 | 116.1° | 120.1° |
| C28 | C29 | H34 | 120.0° | 120.0° |
| C28 | O5 | C33 | 119.8° | 122.4° |
| C4 | C5 | C33 | 117.8° | 120.1° |
| C5 | C4 | C3 | 120.8° | 120.0° |
| C5 | C4 | H5 | 119.6° | 120.0° |
| C5 | C33 | O5 | 122.7° | 121.0° |
| C5 | C33 | C34 | 120.4° | 119.2° |
| C4 | C3 | C2 | 120.8° | 120.2° |
| C4 | C3 | H4 | 119.6° | 119.9° |
| C3 | C4 | H5 | 119.6° | 120.0° |
| O5 | C33 | C34 | 117.0° | 119.8° |
| C33 | C34 | C2 | 121.1° | 120.0° |
| C33 | C34 | H41 | 119.5° | 120.0° |
| C3 | C2 | C34 | 119.2° | 120.5° |
| C3 | C2 | N | 120.4° | 119.7° |
| C2 | C3 | H4 | 119.6° | 119.9° |
| C34 | C2 | N | 120.3° | 119.8° |
| C2 | C34 | H41 | 119.4° | 120.0° |
| C2 | N | C | 120.2° | 120.0° |
| C2 | N | C1 | 119.8° | 120.0° |
| C | N | C1 | 119.1° | 120.0° |
| N | C | H6 | 109.5° | 109.4° |
| N | C | H7 | 109.5° | 109.4° |
| N | C | H8 | 109.5° | 109.5° |
| N | C1 | H1 | 109.5° | 109.5° |
| N | C1 | H2 | 109.5° | 109.4° |
| N | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H6 | C | H7 | 109.5° | 109.5° |
| H6 | C | H8 | 109.5° | 109.5° |
| H7 | C | H8 | 109.4° | 109.5° |
| H9 | C11 | H10 | 109.4° | 109.5° |
| H11 | C12 | H12 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.4° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.4° | 109.5° |
| H19 | C16 | H20 | 109.5° | 109.5° |
| H21 | C17 | H22 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.5° |
| H25 | C19 | H26 | 109.5° | 109.5° |
| H27 | C20 | H28 | 109.4° | 109.5° |
| H27 | C20 | CL1 | 110.0° | 109.5° |
| H28 | C20 | CL1 | 110.0° | 109.5° |
| H35 | C31 | H36 | 109.4° | 109.5° |
| H35 | C31 | H37 | 109.5° | 109.5° |
| H36 | C31 | H37 | 109.5° | 109.4° |
| H38 | C32 | H39 | 109.5° | 109.5° |
| H38 | C32 | H40 | 109.5° | 109.5° |
| H39 | C32 | H40 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | O1 | H15 | 120.4° | 120.0° |
| C13 | C14 | O1 | H16 | 120.4° | 120.0° |
| C14 | C13 | O | H13 | 120.2° | 120.1° |
| C14 | C13 | O | H14 | 120.2° | 120.0° |
| C14 | C13 | O | C12 | 179.8° | 180.0° |
| C13 | C14 | O1 | C15 | 95.6° | 180.0° |
| C14 | C13 | H13 | H14 | 119.3° | 120.1° |
| C13 | C14 | H15 | H16 | 118.8° | 120.1° |
| O1 | C14 | C13 | O | 66.0° | 65.0° |
| C14 | O1 | C15 | C16 | 171.2° | 180.0° |
| O1 | C14 | C13 | H13 | 173.8° | 55.0° |
| O1 | C14 | C13 | H14 | 54.3° | 175.0° |
| O1 | C14 | H15 | H16 | 118.7° | 119.9° |
| C14 | O1 | C15 | H17 | 68.9° | 60.0° |
| C14 | O1 | C15 | H18 | 51.3° | 60.0° |
| C13 | O | C12 | C11 | 175.2° | 180.0° |
| C13 | O | C12 | H11 | 65.1° | 60.0° |
| C13 | O | C12 | H12 | 55.6° | 59.9° |
| O | C13 | H13 | H14 | 119.4° | 119.9° |
| O | C13 | C14 | H15 | 173.6° | 54.9° |
| O | C13 | C14 | H16 | 54.4° | 175.0° |
| O | C12 | C11 | H11 | 119.7° | 120.0° |
| O | C12 | C11 | H12 | 119.7° | 120.0° |
| O | C12 | C11 | N1 | 174.5° | 65.0° |
| O | C12 | C11 | H9 | 65.8° | 175.0° |
| O | C12 | C11 | H10 | 54.8° | 55.0° |
| O | C12 | H11 | H12 | 121.0° | 120.0° |
| C12 | O | C13 | H13 | 59.6° | 59.9° |
| C12 | O | C13 | H14 | 60.0° | 60.0° |
| O1 | C15 | C16 | H17 | 119.9° | 120.0° |
| O1 | C15 | C16 | H18 | 119.9° | 120.0° |
| O1 | C15 | C16 | C17 | 53.1° | 180.0° |
| C15 | O1 | C14 | H15 | 24.8° | 60.0° |
| C15 | O1 | C14 | H16 | 144.0° | 60.0° |
| O1 | C15 | H17 | H18 | 120.3° | 119.9° |
| O1 | C15 | C16 | H19 | 67.3° | 60.0° |
| O1 | C15 | C16 | H20 | 173.5° | 60.0° |
| C12 | C11 | N1 | H9 | 119.7° | 120.0° |
| C12 | C11 | N1 | H10 | 119.7° | 120.0° |
| C12 | C11 | N1 | C10 | 87.4° | 180.0° |
| C12 | C11 | H9 | H10 | 120.9° | 119.9° |
| C11 | C12 | H11 | H12 | 120.9° | 120.0° |
| C12 | C11 | N1 | H43 | 92.7° | 0.0° |
| C11 | N1 | C10 | H43 | 180.0° | 180.0° |
| C11 | N1 | C10 | C9 | 177.4° | 180.0° |
| C11 | N1 | C10 | O2 | 0.4° | 0.0° |
| N1 | C11 | H9 | H10 | 120.9° | 120.1° |
| N1 | C11 | C12 | H11 | 54.8° | 55.0° |
| N1 | C11 | C12 | H12 | 65.9° | 175.0° |
| C15 | C16 | C17 | H19 | 120.4° | 120.0° |
| C15 | C16 | C17 | H20 | 120.4° | 120.0° |
| C15 | C16 | C17 | C18 | 170.9° | 180.0° |
| C16 | C15 | H17 | H18 | 120.4° | 120.0° |
| C15 | C16 | H19 | H20 | 118.8° | 120.0° |
| C15 | C16 | C17 | H21 | 50.5° | 60.0° |
| C15 | C16 | C17 | H22 | 68.6° | 60.0° |
| C16 | C17 | C18 | H21 | 120.5° | 120.0° |
| C16 | C17 | C18 | H22 | 120.5° | 120.0° |
| C16 | C17 | C18 | C19 | 176.5° | 180.0° |
| C17 | C16 | C15 | H17 | 173.0° | 60.0° |
| C17 | C16 | C15 | H18 | 66.8° | 60.0° |
| C17 | C16 | H19 | H20 | 118.7° | 120.0° |
| C16 | C17 | H21 | H22 | 118.5° | 120.0° |
| C16 | C17 | C18 | H23 | 56.0° | 60.0° |
| C16 | C17 | C18 | H24 | 63.0° | 60.0° |
| C17 | C18 | C19 | H23 | 120.5° | 120.0° |
| C17 | C18 | C19 | H24 | 120.5° | 120.0° |
| C17 | C18 | C19 | C20 | 169.6° | 180.0° |
| C18 | C17 | C16 | H19 | 68.7° | 60.0° |
| C18 | C17 | C16 | H20 | 50.5° | 60.0° |
| C18 | C17 | H21 | H22 | 118.6° | 120.0° |
| C17 | C18 | H23 | H24 | 118.4° | 120.0° |
| C17 | C18 | C19 | H25 | 49.0° | 60.0° |
| C17 | C18 | C19 | H26 | 69.8° | 60.0° |
| N1 | C10 | C9 | C21 | 29.8° | 0.0° |
| N1 | C10 | C9 | O2 | 177.1° | 180.0° |
| N1 | C10 | C9 | C8 | 152.1° | 180.0° |
| C10 | N1 | C11 | H9 | 32.3° | 60.0° |
| C10 | N1 | C11 | H10 | 152.9° | 60.0° |
| C18 | C19 | C20 | H25 | 120.6° | 120.0° |
| C18 | C19 | C20 | H26 | 120.6° | 119.9° |
| C19 | C18 | C17 | H21 | 63.0° | 60.0° |
| C19 | C18 | C17 | H22 | 56.0° | 60.0° |
| C19 | C18 | H23 | H24 | 118.5° | 120.0° |
| C18 | C19 | H25 | H26 | 118.2° | 119.9° |
| C18 | C19 | C20 | H27 | 164.7° | 60.0° |
| C18 | C19 | C20 | H28 | 44.0° | 60.0° |
| C18 | C19 | C20 | CL1 | 75.6° | 180.0° |
| C20 | C19 | C18 | H23 | 69.9° | 60.0° |
| C20 | C19 | C18 | H24 | 49.1° | 60.0° |
| C20 | C19 | H25 | H26 | 118.1° | 120.1° |
| C19 | C20 | H27 | H28 | 121.0° | 120.0° |
| C19 | C20 | H27 | CL1 | 118.0° | 120.0° |
| C19 | C20 | H28 | CL1 | 118.0° | 120.0° |
| C22 | C21 | C9 | H30 | 180.0° | 179.9° |
| C21 | C22 | C23 | H31 | 180.0° | 179.8° |
| C22 | C21 | C9 | C10 | 175.1° | 179.8° |
| C22 | C21 | C9 | C8 | 2.9° | 0.2° |
| C21 | C22 | C23 | C24 | 175.5° | 180.0° |
| C21 | C22 | C23 | C7 | 1.9° | 0.1° |
| C9 | C21 | C22 | C23 | 0.6° | 0.2° |
| C21 | C9 | C10 | C8 | 178.1° | 180.0° |
| C21 | C9 | C10 | O2 | 153.1° | 180.0° |
| C21 | C9 | C8 | C7 | 2.7° | 0.1° |
| C9 | C21 | C22 | H31 | 179.4° | 180.0° |
| C21 | C9 | C8 | H42 | 177.3° | 180.0° |
| C22 | C23 | C24 | C7 | 173.1° | 180.0° |
| C22 | C23 | C24 | O3 | 48.0° | 180.0° |
| C22 | C23 | C24 | O4 | 144.2° | 0.0° |
| C22 | C23 | C7 | C8 | 2.2° | 0.3° |
| C22 | C23 | C7 | C6 | 175.3° | 180.0° |
| C23 | C22 | C21 | H30 | 179.4° | 179.9° |
| C10 | C9 | C8 | C7 | 175.5° | 180.0° |
| C10 | C9 | C21 | H30 | 4.9° | 0.1° |
| C10 | C9 | C8 | H42 | 4.5° | 0.0° |
| C9 | C10 | N1 | H43 | 2.6° | 0.0° |
| O2 | C10 | C9 | C8 | 24.9° | 0.0° |
| O2 | C10 | N1 | H43 | 179.6° | 180.0° |
| C9 | C8 | C7 | C23 | 0.2° | 0.3° |
| C9 | C8 | C7 | H42 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 173.5° | 180.0° |
| C8 | C9 | C21 | H30 | 177.1° | 179.9° |
| C23 | C24 | O3 | O4 | 167.1° | 180.0° |
| C24 | C23 | C7 | C8 | 175.0° | 179.7° |
| C24 | C23 | C7 | C6 | 11.8° | 0.0° |
| C24 | C23 | C22 | H31 | 4.5° | 0.2° |
| C23 | C24 | O4 | H44 | 166.9° | 180.0° |
| C7 | C23 | C24 | O3 | 138.8° | 0.0° |
| C7 | C23 | C24 | O4 | 28.9° | 180.0° |
| C23 | C7 | C8 | C6 | 173.7° | 179.7° |
| C23 | C7 | C6 | C25 | 119.0° | 75.0° |
| C23 | C7 | C6 | C5 | 68.4° | 105.0° |
| C7 | C23 | C22 | H31 | 178.1° | 179.8° |
| C23 | C7 | C8 | H42 | 179.9° | 179.7° |
| C31 | N2 | C30 | C27 | 1.9° | 0.1° |
| C31 | N2 | C30 | C32 | 171.0° | 180.0° |
| C31 | N2 | C30 | C29 | 178.3° | 180.0° |
| N2 | C31 | H35 | H36 | 120.0° | 120.1° |
| N2 | C31 | H35 | H37 | 120.0° | 120.0° |
| N2 | C31 | H36 | H37 | 120.0° | 120.0° |
| C31 | N2 | C32 | H38 | 180.0° | 90.0° |
| C31 | N2 | C32 | H39 | 60.0° | 150.0° |
| C31 | N2 | C32 | H40 | 60.0° | 30.0° |
| O3 | C24 | O4 | H44 | 0.0° | 0.0° |
| C8 | C7 | C6 | C25 | 67.7° | 104.7° |
| C8 | C7 | C6 | C5 | 105.0° | 75.3° |
| C26 | C27 | C30 | H33 | 180.0° | 179.9° |
| C27 | C26 | C25 | H32 | 180.0° | 180.0° |
| C26 | C27 | C30 | N2 | 179.8° | 180.0° |
| C26 | C27 | C30 | C29 | 0.4° | 0.0° |
| C27 | C26 | C25 | C6 | 178.6° | 180.0° |
| C27 | C26 | C25 | C28 | 0.2° | 0.0° |
| C30 | C27 | C26 | C25 | 1.0° | 0.0° |
| C27 | C30 | N2 | C29 | 179.8° | 179.9° |
| C27 | C30 | N2 | C32 | 172.9° | 180.0° |
| C27 | C30 | C29 | C28 | 1.0° | 0.0° |
| C30 | C27 | C26 | H32 | 179.0° | 180.0° |
| C27 | C30 | C29 | H34 | 179.0° | 180.0° |
| C26 | C25 | C6 | C7 | 7.0° | 0.0° |
| C26 | C25 | C6 | C28 | 178.8° | 180.0° |
| C26 | C25 | C6 | C5 | 179.6° | 180.0° |
| C26 | C25 | C28 | C29 | 1.2° | 0.0° |
| C26 | C25 | C28 | O5 | 176.4° | 180.0° |
| C25 | C26 | C27 | H33 | 179.0° | 180.0° |
| C7 | C6 | C25 | C5 | 172.5° | 180.0° |
| C7 | C6 | C25 | C28 | 171.7° | 180.0° |
| C7 | C6 | C5 | C4 | 10.3° | 0.0° |
| C7 | C6 | C5 | C33 | 169.3° | 180.0° |
| C6 | C7 | C8 | H42 | 6.5° | 0.0° |
| N2 | C30 | C29 | C28 | 178.8° | 180.0° |
| N2 | C30 | C27 | H33 | 0.2° | 0.1° |
| N2 | C30 | C29 | H34 | 1.2° | 0.1° |
| C30 | N2 | C31 | H35 | 180.0° | 90.0° |
| C30 | N2 | C31 | H36 | 60.0° | 150.0° |
| C30 | N2 | C31 | H37 | 60.0° | 30.0° |
| C30 | N2 | C32 | H38 | 8.8° | 90.0° |
| C30 | N2 | C32 | H39 | 111.2° | 30.0° |
| C30 | N2 | C32 | H40 | 128.8° | 150.0° |
| C32 | N2 | C30 | C29 | 7.4° | 0.1° |
| C32 | N2 | C31 | H35 | 8.8° | 90.0° |
| C32 | N2 | C31 | H36 | 111.2° | 30.0° |
| C32 | N2 | C31 | H37 | 128.8° | 150.0° |
| N2 | C32 | H38 | H39 | 120.0° | 120.0° |
| N2 | C32 | H38 | H40 | 120.0° | 120.0° |
| N2 | C32 | H39 | H40 | 120.0° | 120.0° |
| C30 | C29 | C28 | C25 | 1.8° | 0.0° |
| C30 | C29 | C28 | H34 | 180.0° | 179.9° |
| C30 | C29 | C28 | O5 | 175.9° | 180.0° |
| C29 | C30 | C27 | H33 | 179.6° | 180.0° |
| C6 | C25 | C28 | C29 | 179.9° | 180.0° |
| C6 | C25 | C28 | O5 | 2.5° | 0.0° |
| C25 | C6 | C5 | C4 | 177.4° | 180.0° |
| C25 | C6 | C5 | C33 | 3.1° | 0.0° |
| C6 | C25 | C26 | H32 | 1.4° | 0.1° |
| C28 | C25 | C6 | C5 | 0.8° | 0.0° |
| C25 | C28 | C29 | O5 | 177.8° | 180.0° |
| C25 | C28 | O5 | C33 | 3.1° | 0.0° |
| C28 | C25 | C26 | H32 | 179.8° | 180.0° |
| C25 | C28 | C29 | H34 | 178.2° | 180.0° |
| C6 | C5 | C4 | C33 | 179.5° | 180.0° |
| C6 | C5 | C4 | C3 | 178.7° | 179.9° |
| C6 | C5 | C33 | O5 | 2.5° | 0.0° |
| C6 | C5 | C33 | C34 | 178.7° | 179.8° |
| C6 | C5 | C4 | H5 | 1.3° | 0.0° |
| C29 | C28 | O5 | C33 | 179.1° | 180.0° |
| C28 | O5 | C33 | C5 | 0.6° | 0.0° |
| C28 | O5 | C33 | C34 | 178.3° | 179.8° |
| O5 | C28 | C29 | H34 | 4.1° | 0.0° |
| C5 | C4 | C3 | H5 | 180.0° | 180.0° |
| C4 | C5 | C33 | O5 | 177.9° | 180.0° |
| C4 | C5 | C33 | C34 | 0.9° | 0.2° |
| C5 | C4 | C3 | C2 | 0.6° | 0.0° |
| C5 | C4 | C3 | H4 | 179.4° | 180.0° |
| C33 | C5 | C4 | C3 | 0.8° | 0.1° |
| C5 | C33 | O5 | C34 | 178.9° | 179.8° |
| C5 | C33 | C34 | C2 | 0.6° | 0.5° |
| C33 | C5 | C4 | H5 | 179.2° | 180.0° |
| C5 | C33 | C34 | H41 | 179.4° | 180.0° |
| C4 | C3 | C2 | H4 | 180.0° | 179.9° |
| C4 | C3 | C2 | C34 | 0.3° | 0.3° |
| C4 | C3 | C2 | N | 177.9° | 180.0° |
| O5 | C33 | C34 | C2 | 178.2° | 179.7° |
| O5 | C33 | C34 | H41 | 1.7° | 0.2° |
| C33 | C34 | C2 | C3 | 0.3° | 0.5° |
| C33 | C34 | C2 | H41 | 180.0° | 179.5° |
| C33 | C34 | C2 | N | 177.9° | 179.8° |
| C3 | C2 | C34 | N | 178.2° | 179.7° |
| C3 | C2 | N | C | 1.8° | 5.8° |
| C3 | C2 | N | C1 | 167.0° | 174.2° |
| C2 | C3 | C4 | H5 | 179.5° | 180.0° |
| C3 | C2 | C34 | H41 | 179.7° | 180.0° |
| C34 | C2 | N | C | 176.3° | 174.5° |
| C34 | C2 | N | C1 | 14.8° | 5.5° |
| C34 | C2 | C3 | H4 | 179.7° | 179.7° |
| C2 | N | C | C1 | 169.0° | 180.0° |
| C2 | N | C1 | H1 | 180.0° | 90.0° |
| C2 | N | C1 | H2 | 60.0° | 150.0° |
| C2 | N | C1 | H3 | 60.0° | 30.0° |
| N | C2 | C3 | H4 | 2.1° | 0.0° |
| C2 | N | C | H6 | 180.0° | 5.1° |
| C2 | N | C | H7 | 60.0° | 125.1° |
| C2 | N | C | H8 | 60.0° | 114.9° |
| N | C2 | C34 | H41 | 2.1° | 0.3° |
| C | N | C1 | H1 | 11.0° | 90.0° |
| C | N | C1 | H2 | 131.0° | 30.0° |
| C | N | C1 | H3 | 109.0° | 150.0° |
| N | C | H6 | H7 | 120.0° | 119.9° |
| N | C | H6 | H8 | 120.0° | 120.0° |
| N | C | H7 | H8 | 120.0° | 120.0° |
| N | C1 | H1 | H2 | 120.0° | 120.0° |
| N | C1 | H1 | H3 | 120.0° | 120.0° |
| N | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | N | C | H6 | 11.0° | 174.9° |
| C1 | N | C | H7 | 109.0° | 55.0° |
| C1 | N | C | H8 | 131.0° | 65.1° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | C4 | H5 | 0.6° | 0.1° |
| H6 | C | H7 | H8 | 120.0° | 120.0° |
| H9 | C11 | C12 | H11 | 174.5° | 65.0° |
| H9 | C11 | C12 | H12 | 53.8° | 55.0° |
| H9 | C11 | N1 | H43 | 147.7° | 120.0° |
| H10 | C11 | C12 | H11 | 64.9° | 175.0° |
| H10 | C11 | C12 | H12 | 174.4° | 65.0° |
| H10 | C11 | N1 | H43 | 27.1° | 120.0° |
| H13 | C13 | C14 | H15 | 53.4° | 174.9° |
| H13 | C13 | C14 | H16 | 65.8° | 65.0° |
| H14 | C13 | C14 | H15 | 66.1° | 65.0° |
| H14 | C13 | C14 | H16 | 174.7° | 55.0° |
| H17 | C15 | C16 | H19 | 52.6° | 180.0° |
| H17 | C15 | C16 | H20 | 66.6° | 60.0° |
| H18 | C15 | C16 | H19 | 172.8° | 60.0° |
| H18 | C15 | C16 | H20 | 53.6° | 180.0° |
| H19 | C16 | C17 | H21 | 170.9° | 180.0° |
| H19 | C16 | C17 | H22 | 51.8° | 60.0° |
| H20 | C16 | C17 | H21 | 69.9° | 60.0° |
| H20 | C16 | C17 | H22 | 171.0° | 180.0° |
| H21 | C17 | C18 | H23 | 176.5° | 180.0° |
| H21 | C17 | C18 | H24 | 57.5° | 60.0° |
| H22 | C17 | C18 | H23 | 64.5° | 60.0° |
| H22 | C17 | C18 | H24 | 176.5° | 180.0° |
| H23 | C18 | C19 | H25 | 169.5° | 180.0° |
| H23 | C18 | C19 | H26 | 50.7° | 60.0° |
| H24 | C18 | C19 | H25 | 71.5° | 60.0° |
| H24 | C18 | C19 | H26 | 169.7° | 180.0° |
| H25 | C19 | C20 | H27 | 74.7° | 180.0° |
| H25 | C19 | C20 | H28 | 164.7° | 60.0° |
| H25 | C19 | C20 | CL1 | 45.0° | 60.0° |
| H26 | C19 | C20 | H27 | 44.1° | 60.0° |
| H26 | C19 | C20 | H28 | 76.6° | 179.9° |
| H26 | C19 | C20 | CL1 | 163.8° | 60.1° |
| H27 | C20 | H28 | CL1 | 121.0° | 120.0° |
| H30 | C21 | C22 | H31 | 0.6° | 0.1° |
| H32 | C26 | C27 | H33 | 1.0° | 0.1° |
| H35 | C31 | H36 | H37 | 120.0° | 120.0° |
| H38 | C32 | H39 | H40 | 120.0° | 120.0° |
