YED
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C25 | sing | 1.43Å | 1.40Å | |
| C31 | C32 | sing | 1.53Å | 1.57Å | |
| C31 | C30 | sing | 1.53Å | 1.55Å | |
| C32 | N2 | sing | 1.46Å | 1.54Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| O4 | C18 | doub | 1.21Å | 1.22Å | |
| O3 | C28 | doub | 1.21Å | 1.23Å | |
| C19 | C28 | sing | 1.50Å | 1.55Å | |
| C19 | N3 | sing | 1.48Å | 1.48Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| O2 | C25 | sing | 1.43Å | 1.36Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C18 | N3 | sing | 1.36Å | 1.39Å | |
| C18 | C17 | sing | 1.51Å | 1.58Å | |
| C25 | C24 | sing | 1.53Å | 1.60Å | |
| C25 | C26 | sing | 1.53Å | 1.60Å | |
| C23 | C22 | sing | 1.53Å | 1.50Å | |
| C23 | C24 | sing | 1.53Å | 1.56Å | |
| C28 | N4 | sing | 1.35Å | 1.40Å | |
| N2 | C17 | sing | 1.47Å | 1.53Å | |
| N2 | C16 | sing | 1.34Å | 1.43Å | |
| C29 | C17 | sing | 1.53Å | 1.57Å | |
| O5 | C16 | doub | 1.21Å | 1.22Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C16 | C11 | sing | 1.51Å | 1.58Å | |
| O6 | C10 | doub | 1.21Å | 1.22Å | |
| N4 | C9 | sing | 1.48Å | 1.47Å | |
| C10 | C9 | sing | 1.51Å | 1.55Å | |
| C10 | N1 | sing | 1.35Å | 1.38Å | |
| C9 | C8 | sing | 1.53Å | 1.56Å | |
| N1 | C11 | sing | 1.48Å | 1.50Å | |
| C11 | C12 | sing | 1.53Å | 1.57Å | |
| C | O | sing | 1.43Å | 1.43Å | |
| C8 | C7 | sing | 1.51Å | 1.49Å | |
| C33 | C7 | doub | 1.34Å | 1.40Å | Aromatic |
| C33 | N | sing | 1.37Å | 1.44Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | C14 | sing | 1.53Å | 1.57Å | |
| C7 | C6 | sing | 1.46Å | 1.47Å | Aromatic |
| O | N | sing | 1.42Å | 1.38Å | |
| N | C1 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C6 | C1 | doub | 1.41Å | 1.42Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.37Å | 1.41Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.43Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C32 | H12 | sing | 1.09Å | 1.10Å | |
| C32 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C30 | H16 | sing | 1.09Å | 1.10Å | |
| C30 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| N3 | H21 | sing | 0.97Å | 1.00Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| O2 | H33 | sing | 0.97Å | 0.95Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| O1 | H39 | sing | 0.97Å | 0.95Å | |
| N4 | H40 | sing | 0.97Å | 1.00Å | |
| C9 | H41 | sing | 1.09Å | 1.10Å | |
| C8 | H42 | sing | 1.09Å | 1.10Å | |
| C8 | H43 | sing | 1.09Å | 1.10Å | |
| C33 | H44 | sing | 1.08Å | 1.08Å | |
| C | H45 | sing | 1.09Å | 1.10Å | |
| C | H46 | sing | 1.09Å | 1.10Å | |
| C | H47 | sing | 1.09Å | 1.10Å | |
| C5 | H48 | sing | 1.08Å | 1.08Å | |
| C4 | H49 | sing | 1.08Å | 1.08Å | |
| C3 | H50 | sing | 1.08Å | 1.08Å | |
| C2 | H51 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C25 | O2 | 100.6° | 109.5° |
| O1 | C25 | C24 | 112.5° | 109.5° |
| O1 | C25 | C26 | 109.0° | 109.5° |
| C25 | O1 | H39 | 109.5° | 114.0° |
| C32 | C31 | C30 | 113.0° | 109.6° |
| C31 | C32 | N2 | 113.2° | 109.9° |
| C31 | C32 | H12 | 108.5° | 109.4° |
| C31 | C32 | H13 | 108.5° | 109.3° |
| C32 | C31 | H14 | 108.6° | 109.4° |
| C32 | C31 | H15 | 108.6° | 109.4° |
| C31 | C30 | C29 | 111.6° | 109.3° |
| C30 | C31 | H14 | 108.6° | 109.4° |
| C30 | C31 | H15 | 108.6° | 109.5° |
| C31 | C30 | H16 | 109.0° | 109.4° |
| C31 | C30 | H17 | 108.9° | 109.5° |
| C32 | N2 | C17 | 116.1° | 120.1° |
| C32 | N2 | C16 | 121.1° | 120.8° |
| N2 | C32 | H12 | 108.5° | 109.4° |
| N2 | C32 | H13 | 108.5° | 109.4° |
| C30 | C29 | C17 | 112.7° | 109.3° |
| C29 | C30 | H16 | 108.9° | 109.5° |
| C29 | C30 | H17 | 108.9° | 109.6° |
| C30 | C29 | H18 | 108.7° | 109.5° |
| C30 | C29 | H19 | 108.7° | 109.4° |
| O4 | C18 | N3 | 118.4° | 120.4° |
| O4 | C18 | C17 | 123.0° | 120.3° |
| O3 | C28 | C19 | 122.4° | 119.3° |
| O3 | C28 | N4 | 121.9° | 119.2° |
| C28 | C19 | N3 | 109.8° | 107.9° |
| C28 | C19 | C20 | 109.0° | 109.8° |
| C19 | C28 | N4 | 115.6° | 121.5° |
| C28 | C19 | H22 | 110.4° | 109.7° |
| N3 | C19 | C20 | 105.9° | 109.8° |
| C19 | N3 | C18 | 120.7° | 116.9° |
| C19 | N3 | H21 | 119.6° | 121.5° |
| N3 | C19 | H22 | 111.3° | 109.8° |
| C19 | C20 | C21 | 111.1° | 109.5° |
| C20 | C19 | H22 | 110.4° | 109.8° |
| C19 | C20 | H23 | 109.1° | 109.5° |
| C19 | C20 | H24 | 109.0° | 109.5° |
| O2 | C25 | C24 | 109.7° | 109.5° |
| O2 | C25 | C26 | 110.5° | 109.4° |
| C25 | O2 | H33 | 109.5° | 114.0° |
| C20 | C21 | C22 | 106.9° | 109.5° |
| C21 | C20 | H23 | 109.0° | 109.5° |
| C21 | C20 | H24 | 109.1° | 109.4° |
| C20 | C21 | H25 | 110.1° | 109.4° |
| C20 | C21 | H26 | 110.1° | 109.4° |
| C21 | C22 | C23 | 111.2° | 109.5° |
| C22 | C21 | H25 | 110.1° | 109.5° |
| C22 | C21 | H26 | 110.1° | 109.5° |
| C21 | C22 | H27 | 109.0° | 109.5° |
| C21 | C22 | H28 | 109.0° | 109.5° |
| N3 | C18 | C17 | 118.6° | 119.2° |
| C18 | N3 | H21 | 119.6° | 121.5° |
| C18 | C17 | N2 | 104.3° | 109.1° |
| C18 | C17 | C29 | 113.4° | 109.5° |
| C18 | C17 | H20 | 107.2° | 109.6° |
| C24 | C25 | C26 | 113.8° | 109.5° |
| C25 | C24 | C23 | 114.9° | 109.5° |
| C25 | C24 | H31 | 108.1° | 109.5° |
| C25 | C24 | H32 | 108.1° | 109.5° |
| C25 | C26 | C27 | 117.8° | 109.5° |
| C25 | C26 | H34 | 107.3° | 109.5° |
| C25 | C26 | H35 | 107.4° | 109.4° |
| C22 | C23 | C24 | 111.3° | 109.5° |
| C23 | C22 | H27 | 109.1° | 109.5° |
| C23 | C22 | H28 | 109.0° | 109.5° |
| C22 | C23 | H29 | 109.0° | 109.5° |
| C22 | C23 | H30 | 109.0° | 109.5° |
| C24 | C23 | H29 | 109.0° | 109.4° |
| C24 | C23 | H30 | 109.0° | 109.5° |
| C23 | C24 | H31 | 108.1° | 109.4° |
| C23 | C24 | H32 | 108.1° | 109.5° |
| C28 | N4 | C9 | 125.3° | 115.9° |
| C28 | N4 | H40 | 117.4° | 122.1° |
| C17 | N2 | C16 | 122.8° | 119.0° |
| N2 | C17 | C29 | 116.2° | 109.4° |
| N2 | C17 | H20 | 107.9° | 109.4° |
| N2 | C16 | O5 | 119.4° | 118.5° |
| N2 | C16 | C11 | 125.0° | 123.0° |
| C17 | C29 | H18 | 108.6° | 109.6° |
| C17 | C29 | H19 | 108.6° | 109.5° |
| C29 | C17 | H20 | 107.4° | 109.7° |
| O5 | C16 | C11 | 115.6° | 118.5° |
| C27 | C26 | H34 | 107.3° | 109.5° |
| C27 | C26 | H35 | 107.3° | 109.4° |
| C26 | C27 | H36 | 109.5° | 109.5° |
| C26 | C27 | H37 | 109.5° | 109.5° |
| C26 | C27 | H38 | 109.5° | 109.4° |
| C16 | C11 | N1 | 105.9° | 106.8° |
| C16 | C11 | C12 | 116.0° | 110.0° |
| C16 | C11 | H2 | 106.2° | 110.1° |
| O6 | C10 | C9 | 119.1° | 119.7° |
| O6 | C10 | N1 | 124.4° | 119.8° |
| N4 | C9 | C10 | 106.3° | 106.8° |
| N4 | C9 | C8 | 109.6° | 109.9° |
| C9 | N4 | H40 | 117.4° | 122.0° |
| N4 | C9 | H41 | 110.4° | 110.0° |
| C9 | C10 | N1 | 116.5° | 120.5° |
| C10 | C9 | C8 | 112.0° | 110.1° |
| C10 | C9 | H41 | 109.4° | 110.0° |
| C10 | N1 | C11 | 124.8° | 117.8° |
| C10 | N1 | H1 | 117.6° | 121.1° |
| C9 | C8 | C7 | 114.4° | 109.5° |
| C8 | C9 | H41 | 109.2° | 110.1° |
| C9 | C8 | H42 | 108.2° | 109.5° |
| C9 | C8 | H43 | 108.2° | 109.5° |
| N1 | C11 | C12 | 114.7° | 110.0° |
| C11 | N1 | H1 | 117.6° | 121.1° |
| N1 | C11 | H2 | 107.0° | 110.0° |
| C11 | C12 | C13 | 115.2° | 109.5° |
| C11 | C12 | C14 | 108.8° | 109.5° |
| C12 | C11 | H2 | 106.3° | 110.0° |
| C11 | C12 | H3 | 106.4° | 109.5° |
| C | O | N | 119.6° | 114.0° |
| O | C | H45 | 109.5° | 109.5° |
| O | C | H46 | 109.5° | 109.5° |
| O | C | H47 | 109.4° | 109.5° |
| C8 | C7 | C33 | 127.2° | 126.5° |
| C8 | C7 | C6 | 124.4° | 126.5° |
| C7 | C8 | H42 | 108.2° | 109.4° |
| C7 | C8 | H43 | 108.2° | 109.5° |
| C7 | C33 | N | 106.7° | 109.9° |
| C33 | C7 | C6 | 108.3° | 107.0° |
| C7 | C33 | H44 | 126.6° | 125.0° |
| C33 | N | O | 129.7° | 125.0° |
| C33 | N | C1 | 110.4° | 109.9° |
| N | C33 | H44 | 126.7° | 125.1° |
| C13 | C12 | C14 | 112.8° | 109.4° |
| C13 | C12 | H3 | 106.7° | 109.5° |
| C12 | C13 | H9 | 109.5° | 109.5° |
| C12 | C13 | H10 | 109.5° | 109.5° |
| C12 | C13 | H11 | 109.5° | 109.4° |
| C12 | C14 | C15 | 117.7° | 109.5° |
| C14 | C12 | H3 | 106.4° | 109.5° |
| C12 | C14 | H4 | 107.4° | 109.5° |
| C12 | C14 | H5 | 107.4° | 109.4° |
| C7 | C6 | C1 | 107.6° | 106.1° |
| C7 | C6 | C5 | 133.0° | 134.0° |
| O | N | C1 | 119.8° | 125.1° |
| N | C1 | C6 | 106.9° | 107.2° |
| N | C1 | C2 | 129.0° | 133.5° |
| C15 | C14 | H4 | 107.4° | 109.5° |
| C15 | C14 | H5 | 107.4° | 109.5° |
| C14 | C15 | H6 | 109.5° | 109.5° |
| C14 | C15 | H7 | 109.5° | 109.5° |
| C14 | C15 | H8 | 109.5° | 109.5° |
| C1 | C6 | C5 | 119.4° | 119.9° |
| C6 | C1 | C2 | 124.1° | 119.4° |
| C6 | C5 | C4 | 118.0° | 119.7° |
| C6 | C5 | H48 | 121.0° | 120.1° |
| C1 | C2 | C3 | 115.5° | 119.8° |
| C1 | C2 | H51 | 122.2° | 120.1° |
| C5 | C4 | C3 | 121.4° | 120.6° |
| C4 | C5 | H48 | 121.0° | 120.1° |
| C5 | C4 | H49 | 119.3° | 119.7° |
| C2 | C3 | C4 | 121.6° | 120.7° |
| C2 | C3 | H50 | 119.2° | 119.7° |
| C3 | C2 | H51 | 122.2° | 120.1° |
| C3 | C4 | H49 | 119.3° | 119.7° |
| C4 | C3 | H50 | 119.2° | 119.6° |
| H4 | C14 | H5 | 109.5° | 109.5° |
| H6 | C15 | H7 | 109.5° | 109.5° |
| H6 | C15 | H8 | 109.5° | 109.4° |
| H7 | C15 | H8 | 109.5° | 109.5° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H9 | C13 | H11 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.4° | 109.5° |
| H12 | C32 | H13 | 109.5° | 109.5° |
| H14 | C31 | H15 | 109.5° | 109.5° |
| H16 | C30 | H17 | 109.5° | 109.6° |
| H18 | C29 | H19 | 109.5° | 109.5° |
| H23 | C20 | H24 | 109.5° | 109.4° |
| H25 | C21 | H26 | 109.4° | 109.4° |
| H27 | C22 | H28 | 109.5° | 109.4° |
| H29 | C23 | H30 | 109.5° | 109.5° |
| H31 | C24 | H32 | 109.5° | 109.5° |
| H34 | C26 | H35 | 109.5° | 109.5° |
| H36 | C27 | H37 | 109.5° | 109.5° |
| H36 | C27 | H38 | 109.4° | 109.5° |
| H37 | C27 | H38 | 109.5° | 109.4° |
| H42 | C8 | H43 | 109.5° | 109.5° |
| H45 | C | H46 | 109.5° | 109.5° |
| H45 | C | H47 | 109.5° | 109.5° |
| H46 | C | H47 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C25 | O2 | C24 | 118.7° | 120.0° |
| O1 | C25 | O2 | C26 | 115.0° | 120.0° |
| O1 | C25 | C24 | C26 | 124.5° | 120.0° |
| O1 | C25 | C24 | C23 | 60.8° | 60.0° |
| O1 | C25 | C26 | C27 | 173.5° | 59.9° |
| O1 | C25 | C24 | H31 | 178.4° | 180.0° |
| O1 | C25 | C24 | H32 | 60.0° | 60.0° |
| O1 | C25 | O2 | H33 | 180.0° | 180.0° |
| O1 | C25 | C26 | H34 | 65.3° | 180.0° |
| O1 | C25 | C26 | H35 | 52.3° | 60.0° |
| C32 | C31 | C30 | H14 | 120.5° | 120.0° |
| C32 | C31 | C30 | H15 | 120.5° | 120.0° |
| C31 | C32 | N2 | H12 | 120.6° | 120.1° |
| C31 | C32 | N2 | H13 | 120.6° | 120.0° |
| C32 | C31 | C30 | C29 | 55.7° | 61.5° |
| C31 | C32 | N2 | C17 | 40.0° | 49.0° |
| C31 | C32 | N2 | C16 | 142.7° | 131.4° |
| C31 | C32 | H12 | H13 | 118.3° | 119.7° |
| C32 | C31 | H14 | H15 | 118.4° | 119.9° |
| C32 | C31 | C30 | H16 | 64.6° | 178.7° |
| C32 | C31 | C30 | H17 | 176.0° | 58.5° |
| C30 | C31 | C32 | N2 | 48.8° | 52.2° |
| C31 | C30 | C29 | H16 | 120.3° | 119.8° |
| C31 | C30 | C29 | H17 | 120.3° | 119.9° |
| C31 | C30 | C29 | C17 | 52.6° | 62.3° |
| C30 | C31 | C32 | H12 | 169.3° | 172.3° |
| C30 | C31 | C32 | H13 | 71.8° | 67.9° |
| C30 | C31 | H14 | H15 | 118.4° | 119.9° |
| C31 | C30 | H16 | H17 | 119.0° | 120.1° |
| C31 | C30 | C29 | H18 | 173.1° | 57.7° |
| C31 | C30 | C29 | H19 | 67.9° | 177.8° |
| C32 | N2 | C17 | C18 | 87.3° | 169.6° |
| C32 | N2 | C17 | C16 | 177.3° | 179.6° |
| C32 | N2 | C17 | C29 | 38.3° | 49.8° |
| C32 | N2 | C16 | O5 | 3.7° | 173.7° |
| C32 | N2 | C16 | C11 | 175.2° | 6.3° |
| N2 | C32 | H12 | H13 | 118.3° | 119.8° |
| N2 | C32 | C31 | H14 | 169.3° | 67.8° |
| N2 | C32 | C31 | H15 | 71.8° | 172.2° |
| C32 | N2 | C17 | H20 | 159.0° | 70.5° |
| C30 | C29 | C17 | C18 | 76.3° | 173.3° |
| C30 | C29 | C17 | N2 | 44.5° | 53.7° |
| C30 | C29 | C17 | H18 | 120.5° | 120.0° |
| C30 | C29 | C17 | H19 | 120.5° | 119.9° |
| C29 | C30 | C31 | H14 | 176.2° | 58.6° |
| C29 | C30 | C31 | H15 | 64.8° | 178.5° |
| C29 | C30 | H16 | H17 | 119.0° | 120.2° |
| C30 | C29 | H18 | H19 | 118.5° | 120.0° |
| C30 | C29 | C17 | H20 | 165.4° | 66.4° |
| O4 | C18 | N3 | C19 | 8.8° | 28.3° |
| O4 | C18 | N3 | C17 | 177.2° | 180.0° |
| O4 | C18 | C17 | N2 | 3.2° | 130.9° |
| O4 | C18 | C17 | C29 | 124.2° | 109.3° |
| O4 | C18 | C17 | H20 | 117.5° | 11.1° |
| O4 | C18 | N3 | H21 | 171.2° | 151.8° |
| O3 | C28 | C19 | N4 | 176.8° | 179.9° |
| O3 | C28 | C19 | N3 | 142.6° | 46.6° |
| O3 | C28 | C19 | C20 | 101.8° | 166.2° |
| O3 | C28 | N4 | C9 | 22.2° | 14.0° |
| O3 | C28 | C19 | H22 | 19.5° | 73.0° |
| O3 | C28 | N4 | H40 | 157.7° | 166.0° |
| C28 | C19 | N3 | C20 | 117.5° | 119.7° |
| C28 | C19 | N3 | H22 | 122.5° | 119.5° |
| C28 | C19 | C20 | H22 | 121.3° | 120.7° |
| C28 | C19 | C20 | C21 | 69.4° | 167.8° |
| C28 | C19 | N3 | C18 | 52.2° | 109.1° |
| C19 | C28 | N4 | C9 | 160.9° | 165.9° |
| C28 | C19 | N3 | H21 | 127.7° | 70.9° |
| C28 | C19 | C20 | H23 | 170.4° | 72.1° |
| C28 | C19 | C20 | H24 | 50.8° | 47.8° |
| C19 | C28 | N4 | H40 | 19.1° | 14.0° |
| N3 | C19 | C20 | H22 | 120.6° | 120.8° |
| N3 | C19 | C20 | C21 | 172.5° | 73.7° |
| C19 | N3 | C18 | H21 | 180.0° | 179.9° |
| C19 | N3 | C18 | C17 | 168.4° | 151.7° |
| N3 | C19 | C28 | N4 | 40.6° | 133.4° |
| N3 | C19 | C20 | H23 | 52.3° | 46.4° |
| N3 | C19 | C20 | H24 | 67.2° | 166.3° |
| C19 | C20 | C21 | H23 | 120.2° | 120.0° |
| C19 | C20 | C21 | H24 | 120.2° | 120.0° |
| C19 | C20 | C21 | C22 | 178.3° | 174.1° |
| C20 | C19 | N3 | C18 | 169.7° | 10.6° |
| C20 | C19 | C28 | N4 | 75.0° | 13.7° |
| C20 | C19 | N3 | H21 | 10.2° | 169.5° |
| C19 | C20 | H23 | H24 | 119.2° | 120.0° |
| C19 | C20 | C21 | H25 | 62.1° | 65.9° |
| C19 | C20 | C21 | H26 | 58.7° | 54.1° |
| O2 | C25 | C24 | C26 | 124.4° | 120.0° |
| O2 | C25 | C24 | C23 | 50.3° | 60.0° |
| O2 | C25 | C26 | C27 | 76.8° | 60.0° |
| O2 | C25 | C24 | H31 | 70.5° | 60.0° |
| O2 | C25 | C24 | H32 | 171.1° | 180.0° |
| O2 | C25 | C26 | H34 | 44.3° | 60.0° |
| O2 | C25 | C26 | H35 | 162.0° | 180.0° |
| O2 | C25 | O1 | H39 | 180.0° | 180.0° |
| C20 | C21 | C22 | H25 | 119.6° | 120.0° |
| C20 | C21 | C22 | H26 | 119.6° | 120.0° |
| C20 | C21 | C22 | C23 | 179.6° | 180.0° |
| C21 | C20 | C19 | H22 | 51.9° | 47.1° |
| C21 | C20 | H23 | H24 | 119.3° | 119.9° |
| C20 | C21 | H25 | H26 | 121.2° | 119.9° |
| C20 | C21 | C22 | H27 | 59.3° | 59.9° |
| C20 | C21 | C22 | H28 | 60.2° | 60.0° |
| C21 | C22 | C23 | H27 | 120.2° | 120.0° |
| C21 | C22 | C23 | H28 | 120.3° | 120.0° |
| C21 | C22 | C23 | C24 | 179.7° | 180.0° |
| C22 | C21 | C20 | H23 | 58.1° | 54.1° |
| C22 | C21 | C20 | H24 | 61.5° | 65.9° |
| C22 | C21 | H25 | H26 | 121.2° | 120.0° |
| C21 | C22 | H27 | H28 | 119.2° | 120.0° |
| C21 | C22 | C23 | H29 | 60.0° | 60.0° |
| C21 | C22 | C23 | H30 | 59.4° | 60.0° |
| N3 | C18 | C17 | N2 | 173.8° | 49.1° |
| N3 | C18 | C17 | C29 | 58.8° | 70.7° |
| N3 | C18 | C17 | H20 | 59.6° | 168.9° |
| C18 | N3 | C19 | H22 | 70.3° | 131.4° |
| C18 | C17 | N2 | C29 | 125.6° | 119.8° |
| C18 | C17 | N2 | H20 | 113.8° | 119.9° |
| C18 | C17 | N2 | C16 | 90.0° | 10.8° |
| C18 | C17 | C29 | H20 | 118.3° | 120.3° |
| C18 | C17 | C29 | H18 | 44.2° | 53.4° |
| C18 | C17 | C29 | H19 | 163.2° | 66.8° |
| C17 | C18 | N3 | H21 | 11.6° | 28.2° |
| C25 | C24 | C23 | C22 | 160.6° | 180.0° |
| C25 | C24 | C23 | H31 | 120.8° | 120.0° |
| C25 | C24 | C23 | H32 | 120.8° | 120.0° |
| C24 | C25 | C26 | C27 | 47.1° | 180.0° |
| C25 | C24 | C23 | H29 | 79.1° | 60.0° |
| C25 | C24 | C23 | H30 | 40.3° | 59.9° |
| C25 | C24 | H31 | H32 | 117.5° | 120.0° |
| C24 | C25 | O2 | H33 | 61.3° | 60.0° |
| C24 | C25 | C26 | H34 | 168.3° | 60.0° |
| C24 | C25 | C26 | H35 | 74.1° | 60.0° |
| C24 | C25 | O1 | H39 | 63.3° | 59.9° |
| C26 | C25 | C24 | C23 | 174.6° | 179.9° |
| C25 | C26 | C27 | H34 | 121.2° | 120.0° |
| C25 | C26 | C27 | H35 | 121.2° | 119.9° |
| C26 | C25 | C24 | H31 | 53.8° | 60.0° |
| C26 | C25 | C24 | H32 | 64.6° | 60.0° |
| C26 | C25 | O2 | H33 | 65.0° | 60.0° |
| C25 | C26 | H34 | H35 | 116.2° | 120.0° |
| C25 | C26 | C27 | H36 | 180.0° | 180.0° |
| C25 | C26 | C27 | H37 | 60.0° | 59.9° |
| C25 | C26 | C27 | H38 | 60.0° | 60.0° |
| C26 | C25 | O1 | H39 | 63.8° | 60.1° |
| C22 | C23 | C24 | H29 | 120.3° | 120.0° |
| C22 | C23 | C24 | H30 | 120.3° | 120.1° |
| C23 | C22 | C21 | H25 | 60.8° | 60.0° |
| C23 | C22 | C21 | H26 | 60.0° | 60.0° |
| C23 | C22 | H27 | H28 | 119.2° | 120.0° |
| C22 | C23 | H29 | H30 | 119.2° | 120.0° |
| C22 | C23 | C24 | H31 | 78.6° | 60.0° |
| C22 | C23 | C24 | H32 | 39.8° | 60.0° |
| C24 | C23 | C22 | H27 | 59.5° | 60.0° |
| C24 | C23 | C22 | H28 | 60.0° | 59.9° |
| C24 | C23 | H29 | H30 | 119.1° | 120.0° |
| C23 | C24 | H31 | H32 | 117.6° | 120.0° |
| C28 | N4 | C9 | H40 | 180.0° | 179.9° |
| C28 | N4 | C9 | C10 | 94.8° | 54.1° |
| C28 | N4 | C9 | C8 | 143.9° | 173.4° |
| N4 | C28 | C19 | H22 | 163.6° | 107.1° |
| C28 | N4 | C9 | H41 | 23.7° | 65.3° |
| N2 | C17 | C29 | H20 | 120.9° | 120.1° |
| C17 | N2 | C16 | O5 | 173.4° | 5.9° |
| C17 | N2 | C16 | C11 | 7.6° | 174.1° |
| C17 | N2 | C32 | H12 | 160.5° | 169.1° |
| C17 | N2 | C32 | H13 | 80.6° | 71.0° |
| N2 | C17 | C29 | H18 | 165.0° | 66.2° |
| N2 | C17 | C29 | H19 | 76.0° | 173.6° |
| C16 | N2 | C17 | C29 | 144.4° | 130.6° |
| N2 | C16 | O5 | C11 | 179.1° | 180.0° |
| N2 | C16 | C11 | N1 | 57.6° | 165.8° |
| N2 | C16 | C11 | C12 | 70.9° | 74.9° |
| N2 | C16 | C11 | H2 | 171.2° | 46.5° |
| C16 | N2 | C32 | H12 | 22.2° | 11.3° |
| C16 | N2 | C32 | H13 | 96.7° | 108.6° |
| C16 | N2 | C17 | H20 | 23.8° | 109.1° |
| C17 | C29 | C30 | H16 | 67.8° | 177.8° |
| C17 | C29 | C30 | H17 | 172.9° | 57.6° |
| C17 | C29 | H18 | H19 | 118.5° | 120.2° |
| O5 | C16 | C11 | N1 | 123.4° | 14.2° |
| O5 | C16 | C11 | C12 | 108.1° | 105.2° |
| O5 | C16 | C11 | H2 | 9.8° | 133.5° |
| C27 | C26 | H34 | H35 | 116.2° | 120.0° |
| C26 | C27 | H36 | H37 | 120.0° | 120.1° |
| C26 | C27 | H36 | H38 | 120.0° | 120.0° |
| C26 | C27 | H37 | H38 | 120.0° | 120.0° |
| C16 | C11 | N1 | C10 | 89.6° | 70.9° |
| C16 | C11 | N1 | C12 | 129.3° | 119.3° |
| C16 | C11 | N1 | H2 | 113.0° | 119.5° |
| C16 | C11 | C12 | H2 | 117.8° | 121.4° |
| C16 | C11 | C12 | C13 | 46.8° | 56.2° |
| C16 | C11 | C12 | C14 | 174.7° | 176.2° |
| C16 | C11 | N1 | H1 | 90.4° | 109.0° |
| C16 | C11 | C12 | H3 | 71.1° | 63.8° |
| O6 | C10 | C9 | N4 | 135.0° | 104.5° |
| O6 | C10 | C9 | N1 | 179.4° | 179.8° |
| O6 | C10 | C9 | C8 | 105.3° | 14.8° |
| O6 | C10 | N1 | C11 | 14.4° | 34.3° |
| O6 | C10 | N1 | H1 | 165.6° | 145.8° |
| O6 | C10 | C9 | H41 | 15.8° | 136.2° |
| N4 | C9 | C10 | C8 | 119.7° | 119.2° |
| N4 | C9 | C10 | H41 | 119.1° | 119.3° |
| N4 | C9 | C10 | N1 | 45.6° | 75.3° |
| N4 | C9 | C8 | H41 | 121.0° | 121.2° |
| N4 | C9 | C8 | C7 | 173.6° | 67.7° |
| N4 | C9 | C8 | H42 | 65.7° | 52.3° |
| N4 | C9 | C8 | H43 | 52.8° | 172.3° |
| C10 | C9 | C8 | H41 | 121.3° | 121.4° |
| C9 | C10 | N1 | C11 | 165.0° | 145.5° |
| C10 | C9 | C8 | C7 | 55.8° | 175.0° |
| C9 | C10 | N1 | H1 | 15.0° | 34.4° |
| C10 | C9 | N4 | H40 | 85.2° | 125.8° |
| C10 | C9 | C8 | H42 | 176.5° | 65.0° |
| C10 | C9 | C8 | H43 | 64.9° | 55.0° |
| N1 | C10 | C9 | C8 | 74.1° | 165.4° |
| C10 | N1 | C11 | H1 | 180.0° | 179.9° |
| C10 | N1 | C11 | C12 | 141.1° | 48.4° |
| C10 | N1 | C11 | H2 | 23.5° | 169.6° |
| N1 | C10 | C9 | H41 | 164.7° | 44.0° |
| C9 | C8 | C7 | H42 | 120.7° | 120.0° |
| C9 | C8 | C7 | H43 | 120.7° | 120.0° |
| C9 | C8 | C7 | C33 | 37.0° | 94.7° |
| C9 | C8 | C7 | C6 | 145.4° | 84.9° |
| C8 | C9 | N4 | H40 | 36.1° | 6.5° |
| C9 | C8 | H42 | H43 | 117.8° | 120.0° |
| N1 | C11 | C12 | H2 | 118.1° | 121.2° |
| N1 | C11 | C12 | C13 | 170.9° | 173.6° |
| N1 | C11 | C12 | C14 | 61.2° | 66.5° |
| N1 | C11 | C12 | H3 | 53.0° | 53.6° |
| C11 | C12 | C13 | C14 | 125.8° | 120.0° |
| C11 | C12 | C13 | H3 | 117.8° | 120.0° |
| C11 | C12 | C14 | H3 | 114.2° | 120.0° |
| C11 | C12 | C14 | C15 | 61.7° | 175.0° |
| C12 | C11 | N1 | H1 | 38.9° | 131.7° |
| C11 | C12 | C14 | H4 | 59.4° | 65.0° |
| C11 | C12 | C14 | H5 | 177.1° | 55.0° |
| C11 | C12 | C13 | H9 | 180.0° | 64.2° |
| C11 | C12 | C13 | H10 | 60.0° | 175.8° |
| C11 | C12 | C13 | H11 | 60.0° | 55.8° |
| C | O | N | C33 | 1.8° | 0.0° |
| C | O | N | C1 | 178.4° | 180.0° |
| O | C | H45 | H46 | 120.0° | 120.0° |
| O | C | H45 | H47 | 120.0° | 120.0° |
| O | C | H46 | H47 | 120.0° | 119.9° |
| C8 | C7 | C33 | C6 | 177.9° | 179.7° |
| C8 | C7 | C33 | N | 177.0° | 180.0° |
| C8 | C7 | C6 | C1 | 176.5° | 179.9° |
| C8 | C7 | C6 | C5 | 2.7° | 0.0° |
| C7 | C8 | C9 | H41 | 65.5° | 53.6° |
| C7 | C8 | H42 | H43 | 117.8° | 120.0° |
| C8 | C7 | C33 | H44 | 3.1° | 0.0° |
| C7 | C33 | N | H44 | 180.0° | 180.0° |
| C7 | C33 | N | O | 176.9° | 180.0° |
| C7 | C33 | N | C1 | 0.1° | 0.0° |
| C33 | C7 | C6 | C1 | 1.5° | 0.4° |
| C33 | C7 | C6 | C5 | 179.4° | 179.8° |
| C33 | C7 | C8 | H42 | 83.7° | 145.3° |
| C33 | C7 | C8 | H43 | 157.8° | 25.3° |
| N | C33 | C7 | C6 | 1.0° | 0.3° |
| C33 | N | O | C1 | 176.6° | 180.0° |
| C33 | N | C1 | C6 | 0.8° | 0.3° |
| C33 | N | C1 | C2 | 178.5° | 179.9° |
| C13 | C12 | C14 | H3 | 116.6° | 120.0° |
| C13 | C12 | C14 | C15 | 67.4° | 65.0° |
| C13 | C12 | C11 | H2 | 71.0° | 65.2° |
| C13 | C12 | C14 | H4 | 171.4° | 55.0° |
| C13 | C12 | C14 | H5 | 53.7° | 175.0° |
| C12 | C13 | H9 | H10 | 120.0° | 120.0° |
| C12 | C13 | H9 | H11 | 120.0° | 120.0° |
| C12 | C13 | H10 | H11 | 120.0° | 119.9° |
| C12 | C14 | C15 | H4 | 121.2° | 120.0° |
| C12 | C14 | C15 | H5 | 121.2° | 120.0° |
| C14 | C12 | C11 | H2 | 56.8° | 54.8° |
| C12 | C14 | H4 | H5 | 116.3° | 120.0° |
| C12 | C14 | C15 | H6 | 180.0° | 180.0° |
| C12 | C14 | C15 | H7 | 60.0° | 60.0° |
| C12 | C14 | C15 | H8 | 60.0° | 60.0° |
| C14 | C12 | C13 | H9 | 54.2° | 55.8° |
| C14 | C12 | C13 | H10 | 174.3° | 64.2° |
| C14 | C12 | C13 | H11 | 65.8° | 175.8° |
| C7 | C6 | C1 | N | 1.4° | 0.5° |
| C7 | C6 | C1 | C5 | 179.3° | 179.8° |
| C7 | C6 | C1 | C2 | 178.0° | 179.8° |
| C7 | C6 | C5 | C4 | 178.2° | 180.0° |
| C6 | C7 | C8 | H42 | 93.9° | 35.0° |
| C6 | C7 | C8 | H43 | 24.6° | 155.0° |
| C6 | C7 | C33 | H44 | 179.0° | 179.8° |
| C7 | C6 | C5 | H48 | 1.8° | 0.1° |
| O | N | C1 | C6 | 176.4° | 179.7° |
| O | N | C1 | C2 | 4.3° | 0.0° |
| O | N | C33 | H44 | 3.0° | 0.0° |
| N | O | C | H45 | 180.0° | 60.0° |
| N | O | C | H46 | 60.0° | 60.0° |
| N | O | C | H47 | 60.0° | 180.0° |
| N | C1 | C6 | C2 | 179.3° | 179.7° |
| N | C1 | C6 | C5 | 179.3° | 179.7° |
| N | C1 | C2 | C3 | 179.9° | 179.3° |
| C1 | N | C33 | H44 | 179.9° | 180.0° |
| N | C1 | C2 | H51 | 0.1° | 0.1° |
| C15 | C14 | C12 | H3 | 175.9° | 55.0° |
| C15 | C14 | H4 | H5 | 116.3° | 120.0° |
| C14 | C15 | H6 | H7 | 120.0° | 120.1° |
| C14 | C15 | H6 | H8 | 120.0° | 120.0° |
| C14 | C15 | H7 | H8 | 120.0° | 120.0° |
| C1 | C6 | C5 | C4 | 0.9° | 0.2° |
| C6 | C1 | C2 | C3 | 0.7° | 0.3° |
| C1 | C6 | C5 | H48 | 179.1° | 179.8° |
| C6 | C1 | C2 | H51 | 179.3° | 179.7° |
| C5 | C6 | C1 | C2 | 1.3° | 0.0° |
| C6 | C5 | C4 | H48 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.1° | 0.1° |
| C6 | C5 | C4 | H49 | 179.9° | 180.0° |
| C1 | C2 | C3 | H51 | 180.0° | 179.4° |
| C1 | C2 | C3 | C4 | 0.2° | 0.5° |
| C1 | C2 | C3 | H50 | 179.8° | 179.8° |
| C5 | C4 | C3 | C2 | 0.6° | 0.3° |
| C5 | C4 | C3 | H49 | 180.0° | 180.0° |
| C5 | C4 | C3 | H50 | 179.4° | 180.0° |
| C2 | C3 | C4 | H50 | 180.0° | 179.7° |
| C2 | C3 | C4 | H49 | 179.4° | 179.7° |
| C3 | C4 | C5 | H48 | 179.9° | 180.0° |
| C4 | C3 | C2 | H51 | 179.7° | 179.9° |
| H1 | N1 | C11 | H2 | 156.5° | 10.5° |
| H2 | C11 | C12 | H3 | 171.0° | 174.8° |
| H3 | C12 | C14 | H4 | 54.8° | 175.0° |
| H3 | C12 | C14 | H5 | 62.9° | 65.0° |
| H3 | C12 | C13 | H9 | 62.2° | 175.8° |
| H3 | C12 | C13 | H10 | 57.8° | 55.8° |
| H3 | C12 | C13 | H11 | 177.8° | 64.2° |
| H4 | C14 | C15 | H6 | 58.8° | 60.0° |
| H4 | C14 | C15 | H7 | 178.8° | 180.0° |
| H4 | C14 | C15 | H8 | 61.2° | 60.0° |
| H5 | C14 | C15 | H6 | 58.8° | 60.0° |
| H5 | C14 | C15 | H7 | 61.2° | 60.0° |
| H5 | C14 | C15 | H8 | 178.8° | 180.0° |
| H6 | C15 | H7 | H8 | 120.0° | 120.0° |
| H9 | C13 | H10 | H11 | 120.0° | 120.0° |
| H12 | C32 | C31 | H14 | 70.2° | 52.3° |
| H12 | C32 | C31 | H15 | 48.8° | 67.7° |
| H13 | C32 | C31 | H14 | 48.7° | 172.1° |
| H13 | C32 | C31 | H15 | 167.7° | 52.2° |
| H14 | C31 | C30 | H16 | 55.9° | 61.3° |
| H14 | C31 | C30 | H17 | 63.5° | 178.6° |
| H15 | C31 | C30 | H16 | 174.8° | 58.6° |
| H15 | C31 | C30 | H17 | 55.5° | 61.5° |
| H16 | C30 | C29 | H18 | 52.7° | 62.2° |
| H16 | C30 | C29 | H19 | 171.8° | 57.9° |
| H17 | C30 | C29 | H18 | 66.6° | 177.6° |
| H17 | C30 | C29 | H19 | 52.4° | 62.3° |
| H18 | C29 | C17 | H20 | 74.0° | 173.7° |
| H19 | C29 | C17 | H20 | 44.9° | 53.5° |
| H21 | N3 | C19 | H22 | 109.7° | 48.7° |
| H22 | C19 | C20 | H23 | 68.3° | 167.1° |
| H22 | C19 | C20 | H24 | 172.2° | 72.9° |
| H23 | C20 | C21 | H25 | 177.7° | 174.1° |
| H23 | C20 | C21 | H26 | 61.6° | 66.0° |
| H24 | C20 | C21 | H25 | 58.1° | 54.2° |
| H24 | C20 | C21 | H26 | 178.9° | 174.1° |
| H25 | C21 | C22 | H27 | 178.9° | 180.0° |
| H25 | C21 | C22 | H28 | 59.4° | 60.0° |
| H26 | C21 | C22 | H27 | 60.3° | 60.0° |
| H26 | C21 | C22 | H28 | 179.8° | 180.0° |
| H27 | C22 | C23 | H29 | 179.8° | 180.0° |
| H27 | C22 | C23 | H30 | 60.8° | 60.1° |
| H28 | C22 | C23 | H29 | 60.3° | 60.0° |
| H28 | C22 | C23 | H30 | 179.7° | 180.0° |
| H29 | C23 | C24 | H31 | 41.7° | 180.0° |
| H29 | C23 | C24 | H32 | 160.1° | 60.0° |
| H30 | C23 | C24 | H31 | 161.1° | 60.0° |
| H30 | C23 | C24 | H32 | 80.5° | 180.0° |
| H34 | C26 | C27 | H36 | 58.8° | 60.0° |
| H34 | C26 | C27 | H37 | 178.8° | 180.0° |
| H34 | C26 | C27 | H38 | 61.2° | 60.0° |
| H35 | C26 | C27 | H36 | 58.8° | 60.1° |
| H35 | C26 | C27 | H37 | 61.2° | 60.0° |
| H35 | C26 | C27 | H38 | 178.8° | 179.9° |
| H36 | C27 | H37 | H38 | 120.0° | 120.0° |
| H40 | N4 | C9 | H41 | 156.3° | 114.8° |
| H41 | C9 | C8 | H42 | 55.2° | 173.5° |
| H41 | C9 | C8 | H43 | 173.8° | 66.4° |
| H45 | C | H46 | H47 | 120.0° | 120.0° |
| H48 | C5 | C4 | H49 | 0.1° | 0.0° |
| H49 | C4 | C3 | H50 | 0.6° | 0.1° |
| H50 | C3 | C2 | H51 | 0.3° | 0.4° |
