9AF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | O5 | sing | 1.43Å | 1.42Å | |
| O5 | C27 | sing | 1.36Å | 1.39Å | |
| C27 | C26 | doub | 1.39Å | 1.42Å | Aromatic |
| C27 | C29 | sing | 1.39Å | 1.42Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C29 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.41Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.42Å | Aromatic |
| C23 | C22 | sing | 1.51Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C21 | C20 | sing | 1.53Å | 1.55Å | |
| C22 | C30 | sing | 1.53Å | 1.56Å | |
| C20 | N3 | sing | 1.47Å | 1.52Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| N3 | C31 | sing | 1.47Å | 1.52Å | |
| N3 | C19 | sing | 1.47Å | 1.49Å | |
| C17 | N2 | sing | 1.47Å | 1.47Å | |
| N2 | C16 | sing | 1.35Å | 1.40Å | |
| C16 | O4 | doub | 1.22Å | 1.24Å | |
| C16 | N1 | sing | 1.35Å | 1.41Å | |
| N1 | C15 | sing | 1.40Å | 1.41Å | |
| C15 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| C15 | C32 | sing | 1.39Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C11 | doub | 1.38Å | 1.42Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C | O | sing | 1.43Å | 1.42Å | |
| O | C1 | sing | 1.35Å | 1.40Å | |
| C11 | C12 | sing | 1.38Å | 1.42Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.54Å | |
| O1 | C1 | doub | 1.22Å | 1.23Å | |
| C2 | C10 | sing | 1.50Å | 1.51Å | |
| C2 | C3 | doub | 1.34Å | 1.38Å | |
| C10 | C7 | sing | 1.50Å | 1.52Å | |
| C4 | C3 | sing | 1.51Å | 1.49Å | |
| C3 | N | sing | 1.37Å | 1.41Å | |
| C7 | C5 | doub | 1.34Å | 1.39Å | |
| N | C5 | sing | 1.37Å | 1.41Å | |
| O2 | C8 | doub | 1.22Å | 1.23Å | |
| C5 | C6 | sing | 1.51Å | 1.48Å | |
| C8 | O3 | sing | 1.35Å | 1.39Å | |
| O3 | C9 | sing | 1.43Å | 1.41Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| N1 | H16 | sing | 0.97Å | 1.00Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C32 | H19 | sing | 1.08Å | 1.08Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C21 | H36 | sing | 1.09Å | 1.10Å | |
| C20 | H37 | sing | 1.09Å | 1.10Å | |
| C20 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.08Å | 1.08Å | |
| C28 | H40 | sing | 1.09Å | 1.10Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| C28 | H42 | sing | 1.09Å | 1.10Å | |
| C26 | H43 | sing | 1.08Å | 1.08Å | |
| C25 | H44 | sing | 1.08Å | 1.08Å | |
| C24 | H45 | sing | 1.08Å | 1.08Å | |
| N | H4 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.42Å | 1.49Å | |
| C7 | C8 | sing | 1.41Å | 1.50Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | O5 | C27 | 117.5° | 117.0° |
| O5 | C28 | H40 | 109.5° | 109.4° |
| O5 | C28 | H41 | 109.5° | 109.5° |
| O5 | C28 | H42 | 109.5° | 109.5° |
| O5 | C27 | C26 | 116.4° | 120.1° |
| O5 | C27 | C29 | 122.4° | 120.0° |
| C26 | C27 | C29 | 121.0° | 119.9° |
| C27 | C26 | C25 | 119.2° | 120.0° |
| C27 | C26 | H43 | 120.4° | 120.0° |
| C27 | C29 | C23 | 119.4° | 119.9° |
| C27 | C29 | H39 | 120.3° | 120.1° |
| C26 | C25 | C24 | 120.2° | 120.0° |
| C25 | C26 | H43 | 120.3° | 120.0° |
| C26 | C25 | H44 | 119.9° | 120.0° |
| C29 | C23 | C24 | 119.5° | 120.0° |
| C29 | C23 | C22 | 120.9° | 120.0° |
| C23 | C29 | H39 | 120.3° | 120.0° |
| C25 | C24 | C23 | 120.6° | 120.1° |
| C24 | C25 | H44 | 119.9° | 120.0° |
| C25 | C24 | H45 | 119.7° | 119.9° |
| C24 | C23 | C22 | 119.6° | 120.0° |
| C23 | C24 | H45 | 119.7° | 119.9° |
| C23 | C22 | C21 | 110.7° | 109.6° |
| C23 | C22 | C30 | 113.5° | 109.6° |
| C23 | C22 | H34 | 107.6° | 109.6° |
| C22 | C21 | C20 | 109.2° | 109.3° |
| C21 | C22 | C30 | 110.6° | 109.1° |
| C21 | C22 | H34 | 107.2° | 109.5° |
| C22 | C21 | H35 | 109.5° | 109.5° |
| C22 | C21 | H36 | 109.6° | 109.5° |
| C21 | C20 | N3 | 109.4° | 109.5° |
| C20 | C21 | H35 | 109.5° | 109.5° |
| C20 | C21 | H36 | 109.5° | 109.4° |
| C21 | C20 | H37 | 109.5° | 109.4° |
| C21 | C20 | H38 | 109.5° | 109.4° |
| C22 | C30 | C31 | 110.0° | 109.3° |
| C22 | C30 | H32 | 109.4° | 109.5° |
| C22 | C30 | H33 | 109.3° | 109.5° |
| C30 | C22 | H34 | 107.0° | 109.5° |
| C20 | N3 | C31 | 112.6° | 111.2° |
| C20 | N3 | C19 | 110.9° | 111.0° |
| N3 | C20 | H37 | 109.5° | 109.5° |
| N3 | C20 | H38 | 109.5° | 109.5° |
| C30 | C31 | N3 | 110.6° | 109.6° |
| C30 | C31 | H30 | 109.2° | 109.5° |
| C30 | C31 | H31 | 109.2° | 109.5° |
| C31 | C30 | H32 | 109.3° | 109.5° |
| C31 | C30 | H33 | 109.3° | 109.5° |
| C17 | C18 | C19 | 111.4° | 109.5° |
| C18 | C17 | N2 | 108.6° | 109.5° |
| C18 | C17 | H23 | 109.7° | 109.5° |
| C18 | C17 | H24 | 109.7° | 109.5° |
| C17 | C18 | H25 | 109.0° | 109.5° |
| C17 | C18 | H26 | 109.0° | 109.4° |
| C18 | C19 | N3 | 108.6° | 109.5° |
| C19 | C18 | H25 | 109.0° | 109.5° |
| C19 | C18 | H26 | 109.0° | 109.5° |
| C18 | C19 | H27 | 109.7° | 109.5° |
| C18 | C19 | H28 | 109.7° | 109.4° |
| C31 | N3 | C19 | 110.4° | 111.1° |
| N3 | C31 | H30 | 109.2° | 109.4° |
| N3 | C31 | H31 | 109.2° | 109.5° |
| N3 | C19 | H27 | 109.7° | 109.5° |
| N3 | C19 | H28 | 109.7° | 109.5° |
| C17 | N2 | C16 | 124.1° | 120.0° |
| C17 | N2 | H17 | 117.9° | 120.0° |
| N2 | C17 | H23 | 109.7° | 109.5° |
| N2 | C17 | H24 | 109.7° | 109.4° |
| N2 | C16 | O4 | 122.5° | 120.0° |
| N2 | C16 | N1 | 111.9° | 120.0° |
| C16 | N2 | H17 | 117.9° | 120.0° |
| O4 | C16 | N1 | 125.4° | 120.0° |
| C16 | N1 | C15 | 130.9° | 120.0° |
| C16 | N1 | H16 | 114.5° | 120.0° |
| N1 | C15 | C14 | 114.4° | 120.1° |
| N1 | C15 | C32 | 126.0° | 120.1° |
| C15 | N1 | H16 | 114.5° | 120.0° |
| C14 | C15 | C32 | 119.4° | 119.9° |
| C15 | C14 | C13 | 120.4° | 119.9° |
| C15 | C14 | H18 | 119.8° | 120.0° |
| C15 | C32 | C11 | 120.0° | 119.9° |
| C15 | C32 | H19 | 120.0° | 120.0° |
| C14 | C13 | C12 | 120.5° | 120.1° |
| C14 | C13 | H3 | 119.8° | 119.9° |
| C13 | C14 | H18 | 119.8° | 120.1° |
| C32 | C11 | C12 | 119.3° | 120.0° |
| C32 | C11 | C10 | 118.5° | 120.0° |
| C11 | C32 | H19 | 120.0° | 120.0° |
| C13 | C12 | C11 | 120.3° | 120.2° |
| C13 | C12 | H2 | 119.8° | 119.9° |
| C12 | C13 | H3 | 119.8° | 120.0° |
| C | O | C1 | 121.9° | 117.0° |
| O | C | H20 | 109.5° | 109.5° |
| O | C | H21 | 109.5° | 109.5° |
| O | C | H22 | 109.4° | 109.5° |
| O | C1 | O1 | 120.5° | 120.0° |
| O | C1 | C2 | 112.9° | 120.0° |
| C12 | C11 | C10 | 121.9° | 120.0° |
| C11 | C12 | H2 | 119.8° | 119.9° |
| C11 | C10 | C2 | 103.1° | 109.2° |
| C11 | C10 | C7 | 108.9° | 109.2° |
| C11 | C10 | H1 | 110.9° | 109.2° |
| O1 | C1 | C2 | 126.6° | 120.0° |
| C10 | C2 | C3 | 120.1° | 121.5° |
| C2 | C10 | C7 | 111.1° | 110.7° |
| C2 | C10 | H1 | 111.3° | 109.3° |
| C10 | C2 | C1 | 116.3° | 119.3° |
| C2 | C3 | C4 | 128.3° | 119.6° |
| C2 | C3 | N | 118.4° | 120.8° |
| C3 | C2 | C1 | 123.1° | 119.3° |
| C10 | C7 | C5 | 119.8° | 121.4° |
| C7 | C10 | H1 | 111.2° | 109.3° |
| C10 | C7 | C8 | 116.2° | 119.3° |
| C4 | C3 | N | 112.1° | 119.6° |
| C3 | C4 | H5 | 109.5° | 109.5° |
| C3 | C4 | H6 | 109.5° | 109.5° |
| C3 | C4 | H7 | 109.5° | 109.4° |
| C3 | N | C5 | 122.9° | 120.3° |
| C3 | N | H4 | 118.5° | 119.9° |
| C7 | C5 | N | 119.0° | 120.8° |
| C7 | C5 | C6 | 126.8° | 119.6° |
| C5 | C7 | C8 | 123.0° | 119.3° |
| N | C5 | C6 | 113.3° | 119.6° |
| C5 | N | H4 | 118.6° | 119.9° |
| O2 | C8 | O3 | 114.7° | 120.0° |
| O2 | C8 | C7 | 123.8° | 120.0° |
| C5 | C6 | H9 | 109.5° | 109.5° |
| C5 | C6 | H10 | 109.5° | 109.5° |
| C5 | C6 | H11 | 109.4° | 109.5° |
| C8 | O3 | C9 | 123.3° | 117.0° |
| O3 | C8 | C7 | 121.5° | 120.0° |
| O3 | C9 | H13 | 109.5° | 109.5° |
| O3 | C9 | H14 | 109.5° | 109.5° |
| O3 | C9 | H15 | 109.5° | 109.4° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H5 | C4 | H7 | 109.5° | 109.4° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| H9 | C6 | H11 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.4° |
| H13 | C9 | H14 | 109.5° | 109.5° |
| H13 | C9 | H15 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.5° |
| H20 | C | H21 | 109.5° | 109.5° |
| H20 | C | H22 | 109.5° | 109.5° |
| H21 | C | H22 | 109.5° | 109.4° |
| H23 | C17 | H24 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| H27 | C19 | H28 | 109.4° | 109.5° |
| H30 | C31 | H31 | 109.5° | 109.4° |
| H32 | C30 | H33 | 109.5° | 109.5° |
| H35 | C21 | H36 | 109.5° | 109.6° |
| H37 | C20 | H38 | 109.5° | 109.5° |
| H40 | C28 | H41 | 109.5° | 109.5° |
| H40 | C28 | H42 | 109.5° | 109.4° |
| H41 | C28 | H42 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | O5 | C27 | C26 | 148.2° | 0.0° |
| C28 | O5 | C27 | C29 | 35.9° | 180.0° |
| O5 | C28 | H40 | H41 | 120.0° | 120.0° |
| O5 | C28 | H40 | H42 | 120.0° | 120.0° |
| O5 | C28 | H41 | H42 | 120.0° | 120.0° |
| O5 | C27 | C26 | C29 | 175.9° | 180.0° |
| O5 | C27 | C26 | C25 | 174.8° | 180.0° |
| O5 | C27 | C29 | C23 | 173.7° | 180.0° |
| O5 | C27 | C29 | H39 | 6.3° | 0.0° |
| C27 | O5 | C28 | H40 | 180.0° | 180.0° |
| C27 | O5 | C28 | H41 | 60.0° | 60.0° |
| C27 | O5 | C28 | H42 | 60.0° | 60.1° |
| O5 | C27 | C26 | H43 | 5.1° | 0.0° |
| C27 | C26 | C25 | H43 | 180.0° | 180.0° |
| C26 | C27 | C29 | C23 | 2.0° | 0.1° |
| C27 | C26 | C25 | C24 | 0.2° | 0.1° |
| C26 | C27 | C29 | H39 | 178.0° | 180.0° |
| C27 | C26 | C25 | H44 | 179.8° | 180.0° |
| C29 | C27 | C26 | C25 | 1.1° | 0.1° |
| C27 | C29 | C23 | H39 | 180.0° | 180.0° |
| C27 | C29 | C23 | C24 | 1.6° | 0.1° |
| C27 | C29 | C23 | C22 | 176.6° | 179.7° |
| C29 | C27 | C26 | H43 | 178.9° | 180.0° |
| C26 | C25 | C24 | H44 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 0.6° | 0.1° |
| C26 | C25 | C24 | H45 | 179.4° | 179.7° |
| C29 | C23 | C24 | C25 | 0.3° | 0.1° |
| C29 | C23 | C24 | C22 | 178.2° | 179.8° |
| C29 | C23 | C22 | C21 | 98.0° | 120.0° |
| C29 | C23 | C22 | C30 | 27.0° | 120.2° |
| C29 | C23 | C22 | H34 | 145.2° | 0.1° |
| C29 | C23 | C24 | H45 | 179.7° | 179.7° |
| C25 | C24 | C23 | H45 | 180.0° | 179.7° |
| C25 | C24 | C23 | C22 | 177.9° | 179.7° |
| C24 | C25 | C26 | H43 | 179.8° | 180.0° |
| C24 | C23 | C22 | C21 | 83.8° | 59.7° |
| C24 | C23 | C22 | C30 | 151.2° | 60.0° |
| C24 | C23 | C22 | H34 | 33.0° | 179.9° |
| C24 | C23 | C29 | H39 | 178.4° | 180.0° |
| C23 | C24 | C25 | H44 | 179.4° | 180.0° |
| C23 | C22 | C21 | C30 | 126.7° | 120.0° |
| C23 | C22 | C21 | H34 | 117.1° | 120.2° |
| C23 | C22 | C21 | C20 | 174.5° | 177.6° |
| C23 | C22 | C30 | H34 | 118.5° | 120.2° |
| C23 | C22 | C30 | C31 | 178.4° | 177.6° |
| C23 | C22 | C30 | H32 | 58.3° | 57.6° |
| C23 | C22 | C30 | H33 | 61.6° | 62.4° |
| C23 | C22 | C21 | H35 | 65.6° | 57.7° |
| C23 | C22 | C21 | H36 | 54.5° | 62.5° |
| C22 | C23 | C29 | H39 | 3.4° | 0.2° |
| C22 | C23 | C24 | H45 | 2.1° | 0.0° |
| C22 | C21 | C20 | H35 | 119.9° | 120.0° |
| C22 | C21 | C20 | H36 | 120.0° | 119.9° |
| C21 | C22 | C30 | H34 | 116.4° | 119.9° |
| C22 | C21 | C20 | N3 | 59.3° | 59.2° |
| C21 | C22 | C30 | C31 | 56.5° | 57.6° |
| C21 | C22 | C30 | H32 | 176.6° | 62.3° |
| C21 | C22 | C30 | H33 | 63.6° | 177.6° |
| C22 | C21 | H35 | H36 | 120.1° | 120.1° |
| C22 | C21 | C20 | H37 | 179.3° | 60.8° |
| C22 | C21 | C20 | H38 | 60.7° | 179.2° |
| C20 | C21 | C22 | C30 | 58.8° | 57.6° |
| C21 | C20 | N3 | H37 | 120.0° | 120.0° |
| C21 | C20 | N3 | H38 | 120.0° | 120.0° |
| C21 | C20 | N3 | C31 | 59.4° | 61.7° |
| C21 | C20 | N3 | C19 | 176.3° | 174.2° |
| C20 | C21 | C22 | H34 | 57.4° | 62.2° |
| C20 | C21 | H35 | H36 | 120.1° | 120.0° |
| C21 | C20 | H37 | H38 | 120.1° | 119.9° |
| C22 | C30 | C31 | H32 | 120.1° | 119.9° |
| C22 | C30 | C31 | H33 | 120.1° | 120.0° |
| C22 | C30 | C31 | N3 | 54.6° | 59.2° |
| C22 | C30 | C31 | H30 | 65.5° | 179.2° |
| C22 | C30 | C31 | H31 | 174.8° | 60.9° |
| C22 | C30 | H32 | H33 | 119.8° | 120.1° |
| C30 | C22 | C21 | H35 | 61.1° | 62.3° |
| C30 | C22 | C21 | H36 | 178.8° | 177.5° |
| C20 | N3 | C31 | C30 | 57.3° | 61.7° |
| C20 | N3 | C19 | C18 | 114.8° | 65.8° |
| C20 | N3 | C31 | C19 | 124.5° | 124.1° |
| C20 | N3 | C19 | H27 | 125.3° | 174.2° |
| C20 | N3 | C19 | H28 | 5.1° | 54.2° |
| C20 | N3 | C31 | H30 | 62.9° | 178.3° |
| C20 | N3 | C31 | H31 | 177.5° | 58.4° |
| N3 | C20 | C21 | H35 | 60.6° | 60.8° |
| N3 | C20 | C21 | H36 | 179.3° | 179.1° |
| N3 | C20 | H37 | H38 | 120.0° | 120.0° |
| C30 | C31 | N3 | H30 | 120.2° | 120.0° |
| C30 | C31 | N3 | H31 | 120.2° | 120.1° |
| C30 | C31 | N3 | C19 | 178.2° | 174.2° |
| C30 | C31 | H30 | H31 | 119.5° | 120.0° |
| C31 | C30 | H32 | H33 | 119.8° | 120.1° |
| C31 | C30 | C22 | H34 | 59.9° | 62.2° |
| C17 | C18 | C19 | H25 | 120.3° | 120.0° |
| C17 | C18 | C19 | H26 | 120.3° | 120.0° |
| C17 | C18 | C19 | N3 | 175.1° | 180.0° |
| C18 | C17 | N2 | H23 | 119.9° | 120.0° |
| C18 | C17 | N2 | H24 | 119.9° | 120.0° |
| C18 | C17 | N2 | C16 | 109.0° | 180.0° |
| C18 | C17 | N2 | H17 | 71.0° | 0.0° |
| C18 | C17 | H23 | H24 | 120.4° | 120.0° |
| C17 | C18 | H25 | H26 | 119.1° | 120.0° |
| C17 | C18 | C19 | H27 | 55.2° | 60.0° |
| C17 | C18 | C19 | H28 | 65.0° | 60.0° |
| C18 | C19 | N3 | C31 | 119.7° | 170.0° |
| C18 | C19 | N3 | H27 | 119.9° | 120.0° |
| C18 | C19 | N3 | H28 | 119.9° | 120.0° |
| C19 | C18 | C17 | N2 | 72.4° | 180.0° |
| C19 | C18 | C17 | H23 | 167.7° | 60.0° |
| C19 | C18 | C17 | H24 | 47.4° | 60.0° |
| C19 | C18 | H25 | H26 | 119.1° | 120.0° |
| C18 | C19 | H27 | H28 | 120.4° | 120.0° |
| C31 | N3 | C19 | H27 | 0.1° | 50.0° |
| C31 | N3 | C19 | H28 | 120.4° | 70.0° |
| N3 | C31 | H30 | H31 | 119.5° | 119.9° |
| N3 | C31 | C30 | H32 | 174.7° | 60.7° |
| N3 | C31 | C30 | H33 | 65.4° | 179.2° |
| C31 | N3 | C20 | H37 | 179.4° | 58.3° |
| C31 | N3 | C20 | H38 | 60.6° | 178.3° |
| N3 | C19 | C18 | H25 | 64.6° | 60.0° |
| N3 | C19 | C18 | H26 | 54.8° | 60.0° |
| N3 | C19 | H27 | H28 | 120.4° | 120.0° |
| C19 | N3 | C31 | H30 | 61.6° | 54.1° |
| C19 | N3 | C31 | H31 | 58.0° | 65.8° |
| C19 | N3 | C20 | H37 | 56.3° | 65.9° |
| C19 | N3 | C20 | H38 | 63.7° | 54.2° |
| C17 | N2 | C16 | H17 | 180.0° | 180.0° |
| C17 | N2 | C16 | O4 | 3.4° | 0.0° |
| C17 | N2 | C16 | N1 | 178.8° | 180.0° |
| N2 | C17 | H23 | H24 | 120.4° | 120.0° |
| N2 | C17 | C18 | H25 | 167.3° | 60.0° |
| N2 | C17 | C18 | H26 | 47.9° | 60.0° |
| N2 | C16 | O4 | N1 | 174.8° | 180.0° |
| N2 | C16 | N1 | C15 | 177.7° | 174.5° |
| N2 | C16 | N1 | H16 | 2.2° | 5.4° |
| C16 | N2 | C17 | H23 | 131.1° | 60.0° |
| C16 | N2 | C17 | H24 | 10.9° | 60.0° |
| O4 | C16 | N1 | C15 | 6.9° | 5.5° |
| O4 | C16 | N1 | H16 | 173.1° | 174.6° |
| O4 | C16 | N2 | H17 | 176.6° | 180.0° |
| C16 | N1 | C15 | H16 | 180.0° | 180.0° |
| C16 | N1 | C15 | C14 | 176.6° | 34.7° |
| C16 | N1 | C15 | C32 | 7.9° | 145.1° |
| N1 | C16 | N2 | H17 | 1.2° | 0.0° |
| N1 | C15 | C14 | C32 | 175.8° | 179.8° |
| N1 | C15 | C14 | C13 | 174.7° | 180.0° |
| N1 | C15 | C32 | C11 | 175.7° | 179.7° |
| N1 | C15 | C14 | H18 | 5.4° | 0.3° |
| N1 | C15 | C32 | H19 | 4.4° | 0.2° |
| C15 | C14 | C13 | H18 | 180.0° | 179.7° |
| C14 | C15 | C32 | C11 | 0.4° | 0.6° |
| C15 | C14 | C13 | C12 | 0.9° | 0.0° |
| C15 | C14 | C13 | H3 | 179.1° | 179.9° |
| C14 | C15 | N1 | H16 | 3.4° | 145.3° |
| C14 | C15 | C32 | H19 | 179.6° | 180.0° |
| C32 | C15 | C14 | C13 | 1.2° | 0.3° |
| C15 | C32 | C11 | H19 | 180.0° | 179.5° |
| C15 | C32 | C11 | C12 | 2.1° | 0.6° |
| C15 | C32 | C11 | C10 | 171.8° | 179.7° |
| C32 | C15 | N1 | H16 | 172.0° | 35.0° |
| C32 | C15 | C14 | H18 | 178.8° | 180.0° |
| C14 | C13 | C12 | H3 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.9° | 0.1° |
| C14 | C13 | C12 | H2 | 179.1° | 180.0° |
| C32 | C11 | C12 | C13 | 2.4° | 0.4° |
| C32 | C11 | C12 | C10 | 173.7° | 179.7° |
| C32 | C11 | C10 | C2 | 65.7° | 118.5° |
| C32 | C11 | C10 | C7 | 176.2° | 120.3° |
| C32 | C11 | C10 | H1 | 53.5° | 0.9° |
| C32 | C11 | C12 | H2 | 177.6° | 179.7° |
| C13 | C12 | C11 | H2 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 171.3° | 180.0° |
| C12 | C13 | C14 | H18 | 179.1° | 179.7° |
| C | O | C1 | O1 | 2.5° | 0.3° |
| O | C | H20 | H21 | 120.0° | 120.1° |
| O | C | H20 | H22 | 120.0° | 120.0° |
| O | C | H21 | H22 | 120.0° | 120.0° |
| C | O | C1 | C2 | 179.7° | 180.0° |
| O | C1 | O1 | C2 | 177.4° | 179.7° |
| O | C1 | C2 | C10 | 9.5° | 99.8° |
| O | C1 | C2 | C3 | 179.3° | 80.2° |
| C1 | O | C | H20 | 180.0° | 60.0° |
| C1 | O | C | H21 | 60.0° | 60.1° |
| C1 | O | C | H22 | 60.0° | 180.0° |
| C12 | C11 | C10 | C2 | 108.0° | 61.2° |
| C12 | C11 | C10 | C7 | 10.1° | 60.0° |
| C12 | C11 | C10 | H1 | 132.8° | 179.4° |
| C11 | C12 | C13 | H3 | 179.1° | 179.9° |
| C12 | C11 | C32 | H19 | 177.9° | 179.9° |
| C11 | C10 | C2 | C7 | 116.5° | 120.2° |
| C11 | C10 | C2 | H1 | 118.9° | 119.4° |
| C11 | C10 | C2 | C3 | 84.0° | 104.2° |
| C11 | C10 | C7 | H1 | 122.5° | 119.4° |
| C11 | C10 | C7 | C5 | 82.5° | 104.2° |
| C10 | C11 | C12 | H2 | 8.7° | 0.1° |
| C10 | C11 | C32 | H19 | 8.2° | 0.3° |
| C11 | C10 | C2 | C1 | 104.6° | 75.9° |
| C11 | C10 | C7 | C8 | 108.4° | 75.9° |
| O1 | C1 | C2 | C10 | 168.1° | 79.9° |
| O1 | C1 | C2 | C3 | 3.1° | 100.1° |
| C10 | C2 | C3 | C1 | 170.8° | 179.9° |
| C2 | C10 | C7 | H1 | 124.6° | 120.4° |
| C10 | C2 | C3 | C4 | 171.3° | 179.6° |
| C10 | C2 | C3 | N | 22.8° | 0.3° |
| C2 | C10 | C7 | C5 | 30.5° | 16.0° |
| C2 | C10 | C7 | C8 | 138.6° | 163.9° |
| C3 | C2 | C10 | C7 | 32.6° | 16.1° |
| C2 | C3 | C4 | N | 166.6° | 179.9° |
| C2 | C3 | N | C5 | 8.6° | 17.7° |
| C3 | C2 | C10 | H1 | 157.1° | 136.5° |
| C2 | C3 | C4 | H5 | 180.0° | 94.8° |
| C2 | C3 | C4 | H6 | 60.0° | 145.1° |
| C2 | C3 | C4 | H7 | 60.0° | 25.1° |
| C2 | C3 | N | H4 | 171.4° | 162.3° |
| C10 | C7 | C5 | C8 | 168.3° | 179.9° |
| C10 | C7 | C5 | N | 18.9° | 0.3° |
| C10 | C7 | C8 | O2 | 6.0° | 75.2° |
| C10 | C7 | C5 | C6 | 172.8° | 179.6° |
| C10 | C7 | C8 | O3 | 175.9° | 104.8° |
| C7 | C10 | C2 | C1 | 138.9° | 163.9° |
| C4 | C3 | N | C5 | 176.7° | 162.3° |
| C3 | C4 | H5 | H6 | 120.0° | 120.0° |
| C3 | C4 | H5 | H7 | 120.0° | 119.9° |
| C3 | C4 | H6 | H7 | 120.0° | 120.0° |
| C4 | C3 | N | H4 | 3.3° | 17.6° |
| C4 | C3 | C2 | C1 | 17.8° | 0.5° |
| C3 | N | C5 | C7 | 6.7° | 17.7° |
| C3 | N | C5 | H4 | 180.0° | 180.0° |
| C3 | N | C5 | C6 | 176.6° | 162.3° |
| N | C3 | C4 | H5 | 13.4° | 85.1° |
| N | C3 | C4 | H6 | 106.6° | 34.9° |
| N | C3 | C4 | H7 | 133.4° | 155.0° |
| N | C3 | C2 | C1 | 148.0° | 179.6° |
| C7 | C5 | N | C6 | 169.8° | 179.9° |
| C5 | C7 | C8 | O2 | 162.7° | 104.8° |
| C5 | C7 | C8 | O3 | 15.4° | 75.2° |
| C5 | C7 | C10 | H1 | 155.0° | 136.5° |
| C7 | C5 | C6 | H9 | 180.0° | 94.9° |
| C7 | C5 | C6 | H10 | 60.0° | 145.0° |
| C7 | C5 | C6 | H11 | 60.0° | 25.1° |
| C7 | C5 | N | H4 | 173.3° | 162.3° |
| N | C5 | C6 | H9 | 11.1° | 85.2° |
| N | C5 | C6 | H10 | 131.1° | 34.9° |
| N | C5 | C6 | H11 | 108.9° | 154.8° |
| N | C5 | C7 | C8 | 149.4° | 179.6° |
| O2 | C8 | O3 | C7 | 178.2° | 180.0° |
| O2 | C8 | O3 | C9 | 0.3° | 0.0° |
| C5 | C6 | H9 | H10 | 120.0° | 120.1° |
| C5 | C6 | H9 | H11 | 120.0° | 120.0° |
| C5 | C6 | H10 | H11 | 120.0° | 120.0° |
| C6 | C5 | N | H4 | 3.4° | 17.6° |
| C6 | C5 | C7 | C8 | 18.9° | 0.5° |
| C8 | O3 | C9 | H13 | 180.0° | 180.0° |
| C8 | O3 | C9 | H14 | 60.0° | 60.0° |
| C8 | O3 | C9 | H15 | 60.0° | 60.0° |
| O3 | C9 | H13 | H14 | 120.0° | 120.0° |
| O3 | C9 | H13 | H15 | 120.0° | 120.0° |
| O3 | C9 | H14 | H15 | 120.0° | 119.9° |
| C9 | O3 | C8 | C7 | 178.0° | 180.0° |
| H1 | C10 | C2 | C1 | 14.4° | 43.5° |
| H1 | C10 | C7 | C8 | 14.1° | 43.5° |
| H2 | C12 | C13 | H3 | 1.0° | 0.0° |
| H3 | C13 | C14 | H18 | 0.9° | 0.2° |
| H5 | C4 | H6 | H7 | 120.0° | 120.0° |
| H9 | C6 | H10 | H11 | 120.0° | 120.0° |
| H13 | C9 | H14 | H15 | 120.0° | 120.0° |
| H17 | N2 | C17 | H23 | 48.9° | 120.0° |
| H17 | N2 | C17 | H24 | 169.1° | 120.0° |
| H20 | C | H21 | H22 | 120.0° | 119.9° |
| H23 | C17 | C18 | H25 | 47.4° | 180.0° |
| H23 | C17 | C18 | H26 | 72.0° | 60.0° |
| H24 | C17 | C18 | H25 | 72.8° | 60.0° |
| H24 | C17 | C18 | H26 | 167.7° | 180.0° |
| H25 | C18 | C19 | H27 | 175.5° | 180.0° |
| H25 | C18 | C19 | H28 | 55.3° | 60.0° |
| H26 | C18 | C19 | H27 | 65.1° | 60.0° |
| H26 | C18 | C19 | H28 | 174.7° | 180.0° |
| H30 | C31 | C30 | H32 | 54.6° | 59.2° |
| H30 | C31 | C30 | H33 | 174.4° | 60.8° |
| H31 | C31 | C30 | H32 | 65.1° | 179.2° |
| H31 | C31 | C30 | H33 | 54.7° | 59.1° |
| H32 | C30 | C22 | H34 | 60.2° | 177.8° |
| H33 | C30 | C22 | H34 | 179.9° | 57.8° |
| H34 | C22 | C21 | H35 | 177.3° | 177.9° |
| H34 | C22 | C21 | H36 | 62.6° | 57.7° |
| H35 | C21 | C20 | H37 | 59.3° | 179.2° |
| H35 | C21 | C20 | H38 | 179.4° | 59.2° |
| H36 | C21 | C20 | H37 | 60.8° | 59.1° |
| H36 | C21 | C20 | H38 | 59.3° | 60.9° |
| H40 | C28 | H41 | H42 | 120.0° | 120.0° |
| H43 | C26 | C25 | H44 | 0.2° | 0.0° |
| H44 | C25 | C24 | H45 | 0.6° | 0.3° |
