I65
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C20 | sing | 1.53Å | 1.52Å | |
| C1 | C | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| O6 | C20 | sing | 1.43Å | 1.44Å | |
| O6 | C18 | sing | 1.43Å | 1.43Å | |
| C60 | C18 | sing | 1.53Å | 1.53Å | |
| C20 | C23 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.53Å | |
| C30 | C25 | sing | 1.53Å | 1.53Å | |
| O1 | C7 | doub | 1.21Å | 1.22Å | |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C8 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C24 | C10 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| C8 | N | sing | 1.47Å | 1.44Å | |
| N1 | C9 | sing | 1.35Å | 1.33Å | |
| N1 | C10 | sing | 1.46Å | 1.45Å | |
| O3 | C11 | doub | 1.21Å | 1.22Å | |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C6 | sing | 1.51Å | 1.51Å | |
| C7 | N | sing | 1.35Å | 1.33Å | |
| C7 | O | sing | 1.35Å | 1.45Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C9 | O2 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | N2 | sing | 1.35Å | 1.34Å | |
| C6 | O | sing | 1.45Å | 1.43Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.50Å | |
| C16 | C15 | sing | 1.51Å | 1.52Å | |
| O5 | C15 | doub | 1.21Å | 1.23Å | |
| C15 | N3 | sing | 1.35Å | 1.33Å | |
| N2 | N3 | sing | 1.40Å | 1.34Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| N3 | C12 | sing | 1.46Å | 1.47Å | |
| N4 | C14 | sing | 1.35Å | 1.33Å | |
| C14 | O4 | doub | 1.21Å | 1.22Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| C | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C4 | H38 | sing | 1.08Å | 1.08Å | |
| C5 | H39 | sing | 1.08Å | 1.08Å | |
| C6 | H40 | sing | 1.09Å | 1.10Å | |
| C6 | H41 | sing | 1.09Å | 1.10Å | |
| C60 | H42 | sing | 1.09Å | 1.10Å | |
| C60 | H43 | sing | 1.09Å | 1.10Å | |
| C60 | H44 | sing | 1.09Å | 1.10Å | |
| C8 | H45 | sing | 1.09Å | 1.10Å | |
| N1 | H46 | sing | 0.97Å | 1.00Å | |
| N2 | H47 | sing | 0.97Å | 1.00Å | |
| N4 | H48 | sing | 0.97Å | 1.00Å | |
| N4 | H49 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C20 | O6 | 106.7° | 109.5° |
| C22 | C20 | C23 | 108.2° | 109.4° |
| C22 | C20 | C21 | 110.8° | 109.5° |
| C20 | C22 | H19 | 109.5° | 109.5° |
| C20 | C22 | H20 | 109.5° | 109.5° |
| C20 | C22 | H21 | 109.5° | 109.5° |
| C | C1 | C2 | 120.6° | 120.0° |
| C1 | C | C5 | 119.5° | 120.0° |
| C1 | C | H2 | 120.3° | 120.0° |
| C | C1 | H3 | 119.8° | 120.0° |
| C1 | C2 | C3 | 119.6° | 120.0° |
| C2 | C1 | H3 | 119.7° | 120.0° |
| C1 | C2 | H15 | 120.2° | 120.0° |
| C | C5 | C4 | 120.4° | 120.0° |
| C5 | C | H2 | 120.2° | 120.0° |
| C | C5 | H39 | 119.8° | 120.0° |
| C2 | C3 | C4 | 120.0° | 120.0° |
| C2 | C3 | C6 | 119.9° | 120.0° |
| C3 | C2 | H15 | 120.2° | 120.0° |
| C20 | O6 | C18 | 118.4° | 114.0° |
| O6 | C20 | C23 | 113.4° | 109.4° |
| O6 | C20 | C21 | 109.2° | 109.5° |
| O6 | C18 | C60 | 109.3° | 109.5° |
| O6 | C18 | C8 | 107.7° | 109.5° |
| O6 | C18 | H14 | 111.0° | 109.5° |
| C60 | C18 | C8 | 109.6° | 109.5° |
| C60 | C18 | H14 | 109.6° | 109.4° |
| C18 | C60 | H42 | 109.5° | 109.5° |
| C18 | C60 | H43 | 109.5° | 109.5° |
| C18 | C60 | H44 | 109.5° | 109.5° |
| C23 | C20 | C21 | 108.6° | 109.4° |
| C20 | C23 | H22 | 109.5° | 109.5° |
| C20 | C23 | H23 | 109.4° | 109.4° |
| C20 | C23 | H24 | 109.5° | 109.5° |
| C20 | C21 | H16 | 109.5° | 109.5° |
| C20 | C21 | H17 | 109.5° | 109.5° |
| C20 | C21 | H18 | 109.5° | 109.5° |
| C30 | C29 | C28 | 110.6° | 109.5° |
| C29 | C30 | C25 | 110.7° | 109.5° |
| C30 | C29 | H34 | 109.2° | 109.5° |
| C30 | C29 | H35 | 109.2° | 109.5° |
| C29 | C30 | H36 | 109.1° | 109.4° |
| C29 | C30 | H37 | 109.2° | 109.4° |
| C29 | C28 | C27 | 111.6° | 109.5° |
| C29 | C28 | H32 | 108.9° | 109.5° |
| C29 | C28 | H33 | 108.9° | 109.5° |
| C28 | C29 | H34 | 109.2° | 109.5° |
| C28 | C29 | H35 | 109.2° | 109.5° |
| C30 | C25 | C24 | 109.7° | 109.4° |
| C30 | C25 | C26 | 109.3° | 109.5° |
| C30 | C25 | H27 | 108.9° | 109.5° |
| C25 | C30 | H36 | 109.2° | 109.5° |
| C25 | C30 | H37 | 109.1° | 109.5° |
| O1 | C7 | N | 123.8° | 120.0° |
| O1 | C7 | O | 118.7° | 120.0° |
| C5 | C4 | C3 | 119.9° | 120.0° |
| C5 | C4 | H38 | 120.0° | 120.0° |
| C4 | C5 | H39 | 119.8° | 120.0° |
| C18 | C8 | C9 | 109.2° | 109.5° |
| C18 | C8 | N | 109.4° | 109.5° |
| C8 | C18 | H14 | 109.6° | 109.5° |
| C18 | C8 | H45 | 109.0° | 109.5° |
| C24 | C25 | C26 | 110.9° | 109.5° |
| C25 | C24 | C10 | 112.8° | 109.5° |
| C25 | C24 | H25 | 108.6° | 109.5° |
| C25 | C24 | H26 | 108.7° | 109.4° |
| C24 | C25 | H27 | 108.9° | 109.5° |
| C25 | C26 | C27 | 111.4° | 109.5° |
| C26 | C25 | H27 | 109.0° | 109.5° |
| C25 | C26 | H28 | 109.0° | 109.5° |
| C25 | C26 | H29 | 109.0° | 109.5° |
| C24 | C10 | N1 | 110.3° | 109.5° |
| C24 | C10 | C11 | 111.3° | 109.5° |
| C24 | C10 | H4 | 107.9° | 109.5° |
| C10 | C24 | H25 | 108.7° | 109.5° |
| C10 | C24 | H26 | 108.6° | 109.5° |
| C9 | C8 | N | 109.6° | 109.5° |
| C8 | C9 | N1 | 117.1° | 120.0° |
| C8 | C9 | O2 | 120.8° | 120.0° |
| C9 | C8 | H45 | 109.4° | 109.5° |
| C8 | N | C7 | 123.3° | 120.0° |
| C8 | N | H1 | 118.3° | 120.0° |
| N | C8 | H45 | 110.1° | 109.5° |
| C9 | N1 | C10 | 118.7° | 120.0° |
| N1 | C9 | O2 | 122.1° | 120.0° |
| C9 | N1 | H46 | 120.6° | 119.9° |
| N1 | C10 | C11 | 110.2° | 109.5° |
| N1 | C10 | H4 | 108.9° | 109.5° |
| C10 | N1 | H46 | 120.6° | 120.1° |
| O3 | C11 | C10 | 120.4° | 120.0° |
| O3 | C11 | N2 | 122.6° | 120.0° |
| C4 | C3 | C6 | 120.0° | 120.0° |
| C3 | C4 | H38 | 120.1° | 120.0° |
| C3 | C6 | O | 111.4° | 109.5° |
| C3 | C6 | H40 | 109.0° | 109.5° |
| C3 | C6 | H41 | 109.0° | 109.5° |
| N | C7 | O | 117.5° | 120.0° |
| C7 | N | H1 | 118.3° | 120.0° |
| C7 | O | C6 | 120.3° | 117.0° |
| C28 | C27 | C26 | 111.4° | 109.4° |
| C28 | C27 | H30 | 109.0° | 109.5° |
| C28 | C27 | H31 | 109.0° | 109.5° |
| C27 | C28 | H32 | 109.0° | 109.5° |
| C27 | C28 | H33 | 108.9° | 109.4° |
| C10 | C11 | N2 | 117.0° | 120.0° |
| C11 | C10 | H4 | 108.2° | 109.4° |
| C11 | N2 | N3 | 121.3° | 120.0° |
| C11 | N2 | H47 | 119.3° | 119.9° |
| O | C6 | H40 | 109.0° | 109.5° |
| O | C6 | H41 | 109.0° | 109.4° |
| C27 | C26 | H28 | 109.0° | 109.5° |
| C27 | C26 | H29 | 109.0° | 109.4° |
| C26 | C27 | H30 | 109.0° | 109.5° |
| C26 | C27 | H31 | 109.0° | 109.5° |
| C17 | C16 | C15 | 105.8° | 109.5° |
| C17 | C16 | H9 | 110.4° | 109.5° |
| C17 | C16 | H10 | 110.4° | 109.5° |
| C16 | C17 | H11 | 109.5° | 109.5° |
| C16 | C17 | H12 | 109.5° | 109.5° |
| C16 | C17 | H13 | 109.5° | 109.5° |
| C16 | C15 | O5 | 120.9° | 120.0° |
| C16 | C15 | N3 | 117.1° | 120.0° |
| C15 | C16 | H9 | 110.4° | 109.4° |
| C15 | C16 | H10 | 110.4° | 109.5° |
| O5 | C15 | N3 | 122.0° | 120.0° |
| C15 | N3 | N2 | 118.3° | 120.0° |
| C15 | N3 | C12 | 121.4° | 120.0° |
| N2 | N3 | C12 | 120.4° | 120.0° |
| N3 | N2 | H47 | 119.4° | 120.1° |
| C12 | C13 | C14 | 106.8° | 109.5° |
| C13 | C12 | N3 | 109.0° | 109.5° |
| C13 | C12 | H5 | 109.6° | 109.5° |
| C13 | C12 | H6 | 109.6° | 109.5° |
| C12 | C13 | H7 | 110.1° | 109.5° |
| C12 | C13 | H8 | 110.2° | 109.5° |
| C13 | C14 | N4 | 117.4° | 120.0° |
| C13 | C14 | O4 | 119.8° | 120.0° |
| C14 | C13 | H7 | 110.2° | 109.5° |
| C14 | C13 | H8 | 110.1° | 109.4° |
| N3 | C12 | H5 | 109.6° | 109.5° |
| N3 | C12 | H6 | 109.6° | 109.5° |
| N4 | C14 | O4 | 122.7° | 120.0° |
| C14 | N4 | H48 | 120.0° | 120.0° |
| C14 | N4 | H49 | 120.0° | 120.0° |
| H5 | C12 | H6 | 109.5° | 109.4° |
| H7 | C13 | H8 | 109.4° | 109.4° |
| H9 | C16 | H10 | 109.4° | 109.4° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H11 | C17 | H13 | 109.5° | 109.5° |
| H12 | C17 | H13 | 109.4° | 109.4° |
| H16 | C21 | H17 | 109.5° | 109.4° |
| H16 | C21 | H18 | 109.4° | 109.4° |
| H17 | C21 | H18 | 109.4° | 109.5° |
| H19 | C22 | H20 | 109.4° | 109.4° |
| H19 | C22 | H21 | 109.4° | 109.5° |
| H20 | C22 | H21 | 109.5° | 109.4° |
| H22 | C23 | H23 | 109.5° | 109.5° |
| H22 | C23 | H24 | 109.4° | 109.5° |
| H23 | C23 | H24 | 109.5° | 109.4° |
| H25 | C24 | H26 | 109.5° | 109.5° |
| H28 | C26 | H29 | 109.5° | 109.5° |
| H30 | C27 | H31 | 109.5° | 109.5° |
| H32 | C28 | H33 | 109.5° | 109.5° |
| H34 | C29 | H35 | 109.4° | 109.5° |
| H36 | C30 | H37 | 109.5° | 109.5° |
| H40 | C6 | H41 | 109.4° | 109.4° |
| H42 | C60 | H43 | 109.5° | 109.5° |
| H42 | C60 | H44 | 109.5° | 109.5° |
| H43 | C60 | H44 | 109.5° | 109.4° |
| H48 | N4 | H49 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C20 | O6 | C23 | 119.0° | 120.0° |
| C22 | C20 | O6 | C21 | 119.8° | 120.1° |
| C22 | C20 | O6 | C18 | 159.9° | 177.6° |
| C22 | C20 | C23 | C21 | 120.3° | 120.0° |
| C22 | C20 | C21 | H16 | 180.0° | 54.2° |
| C22 | C20 | C21 | H17 | 60.0° | 65.8° |
| C22 | C20 | C21 | H18 | 60.0° | 174.2° |
| C20 | C22 | H19 | H20 | 120.0° | 120.0° |
| C20 | C22 | H19 | H21 | 120.0° | 120.1° |
| C20 | C22 | H20 | H21 | 120.0° | 120.0° |
| C22 | C20 | C23 | H22 | 180.0° | 179.0° |
| C22 | C20 | C23 | H23 | 60.0° | 61.0° |
| C22 | C20 | C23 | H24 | 60.0° | 59.0° |
| C | C1 | C2 | H3 | 180.0° | 180.0° |
| C1 | C | C5 | H2 | 180.0° | 179.8° |
| C | C1 | C2 | C3 | 0.2° | 0.0° |
| C1 | C | C5 | C4 | 0.4° | 0.1° |
| C | C1 | C2 | H15 | 179.8° | 180.0° |
| C1 | C | C5 | H39 | 179.6° | 179.7° |
| C2 | C1 | C | C5 | 0.1° | 0.0° |
| C1 | C2 | C3 | H15 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.3° | 0.0° |
| C1 | C2 | C3 | C6 | 179.9° | 180.0° |
| C2 | C1 | C | H2 | 179.8° | 179.8° |
| C | C5 | C4 | H39 | 180.0° | 179.6° |
| C | C5 | C4 | C3 | 0.3° | 0.1° |
| C5 | C | C1 | H3 | 179.8° | 179.9° |
| C | C5 | C4 | H38 | 179.7° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C2 | C3 | C4 | C6 | 179.6° | 180.0° |
| C2 | C3 | C6 | O | 97.5° | 90.0° |
| C3 | C2 | C1 | H3 | 179.8° | 180.0° |
| C2 | C3 | C4 | H38 | 179.9° | 180.0° |
| C2 | C3 | C6 | H40 | 142.2° | 30.0° |
| C2 | C3 | C6 | H41 | 22.8° | 150.0° |
| C20 | O6 | C18 | C60 | 107.0° | 96.1° |
| O6 | C20 | C23 | C21 | 121.6° | 120.0° |
| C20 | O6 | C18 | C8 | 134.0° | 143.9° |
| C20 | O6 | C18 | H14 | 13.9° | 23.8° |
| O6 | C20 | C21 | H16 | 62.8° | 174.2° |
| O6 | C20 | C21 | H17 | 177.2° | 54.3° |
| O6 | C20 | C21 | H18 | 57.2° | 65.8° |
| O6 | C20 | C22 | H19 | 180.0° | 59.9° |
| O6 | C20 | C22 | H20 | 60.0° | 60.0° |
| O6 | C20 | C22 | H21 | 60.0° | 180.0° |
| O6 | C20 | C23 | H22 | 61.9° | 61.0° |
| O6 | C20 | C23 | H23 | 58.1° | 59.0° |
| O6 | C20 | C23 | H24 | 178.1° | 179.0° |
| O6 | C18 | C60 | C8 | 117.8° | 120.0° |
| O6 | C18 | C60 | H14 | 121.9° | 120.0° |
| C18 | O6 | C20 | C23 | 40.9° | 57.6° |
| C18 | O6 | C20 | C21 | 80.3° | 62.3° |
| O6 | C18 | C8 | H14 | 120.9° | 120.0° |
| O6 | C18 | C8 | C9 | 167.1° | 59.4° |
| O6 | C18 | C8 | N | 72.9° | 60.6° |
| O6 | C18 | C60 | H42 | 180.0° | 54.7° |
| O6 | C18 | C60 | H43 | 60.0° | 65.4° |
| O6 | C18 | C60 | H44 | 60.0° | 174.7° |
| O6 | C18 | C8 | H45 | 47.6° | 179.4° |
| C60 | C18 | C8 | H14 | 120.3° | 120.0° |
| C60 | C18 | C8 | C9 | 48.3° | 179.4° |
| C60 | C18 | C8 | N | 168.4° | 59.4° |
| C18 | C60 | H42 | H43 | 120.0° | 120.0° |
| C18 | C60 | H42 | H44 | 120.0° | 120.0° |
| C18 | C60 | H43 | H44 | 120.0° | 120.0° |
| C60 | C18 | C8 | H45 | 71.1° | 60.6° |
| C23 | C20 | C21 | H16 | 61.4° | 65.8° |
| C23 | C20 | C21 | H17 | 58.7° | 174.3° |
| C23 | C20 | C21 | H18 | 178.7° | 54.2° |
| C23 | C20 | C22 | H19 | 57.7° | 60.1° |
| C23 | C20 | C22 | H20 | 62.3° | 180.0° |
| C23 | C20 | C22 | H21 | 177.7° | 60.0° |
| C20 | C23 | H22 | H23 | 120.0° | 120.0° |
| C20 | C23 | H22 | H24 | 120.0° | 120.0° |
| C20 | C23 | H23 | H24 | 120.0° | 120.0° |
| C20 | C21 | H16 | H17 | 120.0° | 120.0° |
| C20 | C21 | H16 | H18 | 120.0° | 120.0° |
| C20 | C21 | H17 | H18 | 120.0° | 120.1° |
| C21 | C20 | C22 | H19 | 61.3° | 180.0° |
| C21 | C20 | C22 | H20 | 178.8° | 60.0° |
| C21 | C20 | C22 | H21 | 58.7° | 59.9° |
| C21 | C20 | C23 | H22 | 59.7° | 59.0° |
| C21 | C20 | C23 | H23 | 179.7° | 179.0° |
| C21 | C20 | C23 | H24 | 60.3° | 61.1° |
| C30 | C29 | C28 | H34 | 120.2° | 120.0° |
| C30 | C29 | C28 | H35 | 120.2° | 120.0° |
| C29 | C30 | C25 | H36 | 120.2° | 119.9° |
| C29 | C30 | C25 | H37 | 120.2° | 120.0° |
| C29 | C30 | C25 | C24 | 179.0° | 180.0° |
| C29 | C30 | C25 | C26 | 59.2° | 60.0° |
| C30 | C29 | C28 | C27 | 54.9° | 60.0° |
| C29 | C30 | C25 | H27 | 59.8° | 60.0° |
| C30 | C29 | C28 | H32 | 175.2° | 60.0° |
| C30 | C29 | C28 | H33 | 65.4° | 180.0° |
| C30 | C29 | H34 | H35 | 119.5° | 120.0° |
| C29 | C30 | H36 | H37 | 119.4° | 120.0° |
| C28 | C29 | C30 | C25 | 58.0° | 60.0° |
| C29 | C28 | C27 | H32 | 120.3° | 120.0° |
| C29 | C28 | C27 | H33 | 120.3° | 120.0° |
| C29 | C28 | C27 | C26 | 53.5° | 60.0° |
| C29 | C28 | C27 | H30 | 66.8° | 180.0° |
| C29 | C28 | C27 | H31 | 173.8° | 60.0° |
| C29 | C28 | H32 | H33 | 119.0° | 120.0° |
| C28 | C29 | H34 | H35 | 119.5° | 120.0° |
| C28 | C29 | C30 | H36 | 62.2° | 180.0° |
| C28 | C29 | C30 | H37 | 178.2° | 60.0° |
| C30 | C25 | C24 | C26 | 120.9° | 120.0° |
| C30 | C25 | C24 | H27 | 119.2° | 120.0° |
| C30 | C25 | C26 | H27 | 118.9° | 120.0° |
| C30 | C25 | C24 | C10 | 172.9° | 67.3° |
| C30 | C25 | C26 | C27 | 57.8° | 60.0° |
| C30 | C25 | C24 | H25 | 52.4° | 52.7° |
| C30 | C25 | C24 | H26 | 66.6° | 172.7° |
| C30 | C25 | C26 | H28 | 62.5° | 60.0° |
| C30 | C25 | C26 | H29 | 178.0° | 180.0° |
| C25 | C30 | C29 | H34 | 62.1° | 180.0° |
| C25 | C30 | C29 | H35 | 178.2° | 60.0° |
| C25 | C30 | H36 | H37 | 119.4° | 120.1° |
| O1 | C7 | N | C8 | 5.4° | 4.7° |
| O1 | C7 | N | O | 180.0° | 179.9° |
| O1 | C7 | O | C6 | 4.2° | 0.1° |
| O1 | C7 | N | H1 | 174.6° | 175.0° |
| C5 | C4 | C3 | H38 | 180.0° | 179.9° |
| C5 | C4 | C3 | C6 | 179.6° | 180.0° |
| C4 | C5 | C | H2 | 179.6° | 179.7° |
| C18 | C8 | C9 | N | 119.9° | 120.0° |
| C18 | C8 | C9 | H45 | 119.3° | 120.0° |
| C18 | C8 | N | H45 | 119.9° | 120.0° |
| C18 | C8 | C9 | N1 | 120.9° | 72.8° |
| C18 | C8 | N | C7 | 124.6° | 95.1° |
| C18 | C8 | C9 | O2 | 59.8° | 107.2° |
| C18 | C8 | N | H1 | 55.4° | 84.6° |
| C8 | C18 | C60 | H42 | 62.2° | 65.3° |
| C8 | C18 | C60 | H43 | 57.8° | 174.6° |
| C8 | C18 | C60 | H44 | 177.8° | 54.7° |
| C24 | C25 | C26 | H27 | 119.9° | 120.0° |
| C25 | C24 | C10 | H25 | 120.5° | 120.0° |
| C25 | C24 | C10 | H26 | 120.5° | 120.0° |
| C25 | C24 | C10 | N1 | 68.3° | 174.0° |
| C25 | C24 | C10 | C11 | 169.1° | 66.0° |
| C24 | C25 | C26 | C27 | 178.9° | 180.0° |
| C25 | C24 | C10 | H4 | 50.6° | 54.0° |
| C25 | C24 | H25 | H26 | 118.5° | 119.9° |
| C24 | C25 | C26 | H28 | 58.6° | 60.0° |
| C24 | C25 | C26 | H29 | 60.8° | 60.0° |
| C24 | C25 | C30 | H36 | 60.9° | 60.1° |
| C24 | C25 | C30 | H37 | 58.8° | 60.0° |
| C26 | C25 | C24 | C10 | 52.0° | 172.7° |
| C25 | C26 | C27 | C28 | 55.3° | 60.0° |
| C25 | C26 | C27 | H28 | 120.3° | 120.0° |
| C25 | C26 | C27 | H29 | 120.3° | 120.0° |
| C26 | C25 | C24 | H25 | 68.5° | 67.3° |
| C26 | C25 | C24 | H26 | 172.5° | 52.7° |
| C25 | C26 | H28 | H29 | 119.2° | 120.0° |
| C25 | C26 | C27 | H30 | 65.0° | 180.0° |
| C25 | C26 | C27 | H31 | 175.6° | 60.0° |
| C26 | C25 | C30 | H36 | 61.0° | 179.9° |
| C26 | C25 | C30 | H37 | 179.4° | 60.0° |
| C24 | C10 | N1 | C9 | 175.8° | 85.5° |
| C24 | C10 | N1 | C11 | 123.2° | 120.0° |
| C24 | C10 | N1 | H4 | 118.2° | 120.0° |
| C24 | C10 | C11 | O3 | 80.3° | 105.3° |
| C24 | C10 | C11 | H4 | 118.4° | 120.0° |
| C24 | C10 | C11 | N2 | 100.4° | 74.7° |
| C10 | C24 | H25 | H26 | 118.5° | 120.0° |
| C10 | C24 | C25 | H27 | 67.9° | 52.7° |
| C24 | C10 | N1 | H46 | 4.2° | 94.6° |
| C9 | C8 | N | H45 | 120.4° | 120.0° |
| C8 | C9 | N1 | O2 | 179.2° | 180.0° |
| C8 | C9 | N1 | C10 | 176.5° | 174.3° |
| C9 | C8 | N | C7 | 115.6° | 144.9° |
| C9 | C8 | N | H1 | 64.4° | 35.4° |
| C9 | C8 | C18 | H14 | 72.0° | 60.6° |
| C8 | C9 | N1 | H46 | 3.5° | 5.6° |
| N | C8 | C9 | N1 | 119.2° | 167.2° |
| C8 | N | C7 | H1 | 180.0° | 179.7° |
| C8 | N | C7 | O | 174.6° | 175.2° |
| N | C8 | C9 | O2 | 60.1° | 12.8° |
| N | C8 | C18 | H14 | 48.1° | 179.4° |
| C9 | N1 | C10 | H46 | 180.0° | 180.0° |
| C9 | N1 | C10 | C11 | 61.0° | 154.6° |
| C9 | N1 | C10 | H4 | 57.6° | 34.6° |
| N1 | C9 | C8 | H45 | 1.7° | 47.2° |
| N1 | C10 | C11 | O3 | 42.4° | 14.7° |
| C10 | N1 | C9 | O2 | 2.8° | 5.7° |
| N1 | C10 | C11 | H4 | 119.0° | 120.0° |
| N1 | C10 | C11 | N2 | 137.0° | 165.4° |
| N1 | C10 | C24 | H25 | 171.2° | 54.0° |
| N1 | C10 | C24 | H26 | 52.2° | 66.0° |
| O3 | C11 | C10 | N2 | 179.4° | 180.0° |
| O3 | C11 | N2 | N3 | 5.6° | 4.1° |
| O3 | C11 | C10 | H4 | 161.4° | 134.7° |
| O3 | C11 | N2 | H47 | 174.4° | 175.8° |
| C4 | C3 | C6 | O | 82.9° | 90.0° |
| C4 | C3 | C2 | H15 | 179.7° | 180.0° |
| C3 | C4 | C5 | H39 | 179.7° | 179.7° |
| C4 | C3 | C6 | H40 | 37.4° | 150.0° |
| C4 | C3 | C6 | H41 | 156.8° | 30.0° |
| C3 | C6 | O | C7 | 79.7° | 180.0° |
| C3 | C6 | O | H40 | 120.3° | 120.1° |
| C3 | C6 | O | H41 | 120.3° | 120.0° |
| C6 | C3 | C2 | H15 | 0.2° | 0.0° |
| C6 | C3 | C4 | H38 | 0.4° | 0.0° |
| C3 | C6 | H40 | H41 | 119.2° | 120.0° |
| N | C7 | O | C6 | 175.8° | 180.0° |
| C7 | N | C8 | H45 | 4.8° | 24.9° |
| O | C7 | N | H1 | 5.4° | 5.1° |
| C7 | O | C6 | H40 | 160.0° | 59.9° |
| C7 | O | C6 | H41 | 40.6° | 60.0° |
| C28 | C27 | C26 | H30 | 120.3° | 120.0° |
| C28 | C27 | C26 | H31 | 120.3° | 120.0° |
| C28 | C27 | C26 | H28 | 65.0° | 60.0° |
| C28 | C27 | C26 | H29 | 175.6° | 180.0° |
| C28 | C27 | H30 | H31 | 119.1° | 120.0° |
| C27 | C28 | H32 | H33 | 119.0° | 120.0° |
| C27 | C28 | C29 | H34 | 65.3° | 180.0° |
| C27 | C28 | C29 | H35 | 175.1° | 60.0° |
| O2 | C9 | C8 | H45 | 179.1° | 132.8° |
| O2 | C9 | N1 | H46 | 177.2° | 174.4° |
| C10 | C11 | N2 | N3 | 175.0° | 175.9° |
| C11 | C10 | C24 | H25 | 48.6° | 174.0° |
| C11 | C10 | C24 | H26 | 70.4° | 54.0° |
| C11 | C10 | N1 | H46 | 119.0° | 25.4° |
| C10 | C11 | N2 | H47 | 5.0° | 4.1° |
| C11 | N2 | N3 | C15 | 76.8° | 75.0° |
| C11 | N2 | N3 | H47 | 180.0° | 179.9° |
| C11 | N2 | N3 | C12 | 104.6° | 105.0° |
| N2 | C11 | C10 | H4 | 18.0° | 45.3° |
| O | C6 | H40 | H41 | 119.1° | 119.9° |
| C27 | C26 | C25 | H27 | 61.2° | 60.0° |
| C27 | C26 | H28 | H29 | 119.1° | 120.0° |
| C26 | C27 | H30 | H31 | 119.1° | 120.0° |
| C26 | C27 | C28 | H32 | 173.8° | 60.0° |
| C26 | C27 | C28 | H33 | 66.8° | 180.0° |
| C17 | C16 | C15 | H9 | 119.4° | 120.0° |
| C17 | C16 | C15 | H10 | 119.4° | 120.0° |
| C17 | C16 | C15 | O5 | 26.0° | 0.0° |
| C17 | C16 | C15 | N3 | 152.9° | 180.0° |
| C17 | C16 | H9 | H10 | 121.7° | 120.0° |
| C16 | C17 | H11 | H12 | 120.0° | 120.0° |
| C16 | C17 | H11 | H13 | 120.0° | 120.0° |
| C16 | C17 | H12 | H13 | 120.0° | 120.0° |
| C16 | C15 | O5 | N3 | 178.9° | 180.0° |
| C16 | C15 | N3 | N2 | 13.5° | 0.0° |
| C16 | C15 | N3 | C12 | 165.1° | 180.0° |
| C15 | C16 | H9 | H10 | 121.7° | 120.0° |
| C15 | C16 | C17 | H11 | 180.0° | 60.0° |
| C15 | C16 | C17 | H12 | 60.0° | 60.0° |
| C15 | C16 | C17 | H13 | 60.0° | 180.0° |
| O5 | C15 | N3 | N2 | 167.5° | 180.0° |
| O5 | C15 | N3 | C12 | 13.9° | 0.0° |
| O5 | C15 | C16 | H9 | 93.4° | 120.0° |
| O5 | C15 | C16 | H10 | 145.5° | 120.0° |
| C15 | N3 | N2 | C12 | 178.6° | 180.0° |
| C15 | N3 | C12 | C13 | 102.6° | 85.0° |
| C15 | N3 | C12 | H5 | 17.3° | 154.9° |
| C15 | N3 | C12 | H6 | 137.5° | 35.0° |
| N3 | C15 | C16 | H9 | 87.6° | 60.0° |
| N3 | C15 | C16 | H10 | 33.5° | 60.0° |
| C15 | N3 | N2 | H47 | 103.2° | 105.0° |
| N2 | N3 | C12 | C13 | 78.8° | 95.0° |
| N2 | N3 | C12 | H5 | 161.3° | 25.0° |
| N2 | N3 | C12 | H6 | 41.1° | 144.9° |
| C12 | C13 | C14 | H7 | 119.6° | 120.1° |
| C12 | C13 | C14 | H8 | 119.6° | 120.0° |
| C13 | C12 | N3 | H5 | 119.9° | 120.0° |
| C13 | C12 | N3 | H6 | 119.9° | 120.1° |
| C12 | C13 | C14 | N4 | 154.2° | 180.0° |
| C12 | C13 | C14 | O4 | 25.4° | 0.1° |
| C13 | C12 | H5 | H6 | 120.2° | 120.0° |
| C12 | C13 | H7 | H8 | 121.3° | 120.1° |
| C14 | C13 | C12 | N3 | 179.8° | 180.0° |
| C13 | C14 | N4 | O4 | 179.6° | 179.9° |
| C14 | C13 | C12 | H5 | 59.8° | 60.0° |
| C14 | C13 | C12 | H6 | 60.3° | 59.9° |
| C14 | C13 | H7 | H8 | 121.2° | 119.9° |
| C13 | C14 | N4 | H48 | 179.6° | 0.0° |
| C13 | C14 | N4 | H49 | 0.4° | 180.0° |
| N3 | C12 | H5 | H6 | 120.2° | 119.9° |
| N3 | C12 | C13 | H7 | 60.2° | 60.0° |
| N3 | C12 | C13 | H8 | 60.7° | 60.0° |
| C12 | N3 | N2 | H47 | 75.4° | 74.9° |
| N4 | C14 | C13 | H7 | 34.6° | 59.9° |
| N4 | C14 | C13 | H8 | 86.2° | 60.0° |
| C14 | N4 | H48 | H49 | 180.0° | 180.0° |
| O4 | C14 | C13 | H7 | 145.0° | 120.0° |
| O4 | C14 | C13 | H8 | 94.2° | 120.1° |
| O4 | C14 | N4 | H48 | 0.0° | 180.0° |
| O4 | C14 | N4 | H49 | 180.0° | 0.0° |
| H1 | N | C8 | H45 | 175.2° | 155.4° |
| H2 | C | C1 | H3 | 0.2° | 0.2° |
| H2 | C | C5 | H39 | 0.4° | 0.1° |
| H3 | C1 | C2 | H15 | 0.1° | 0.0° |
| H4 | C10 | C24 | H25 | 69.9° | 66.0° |
| H4 | C10 | C24 | H26 | 171.1° | 174.0° |
| H4 | C10 | N1 | H46 | 122.5° | 145.4° |
| H5 | C12 | C13 | H7 | 59.8° | 60.0° |
| H5 | C12 | C13 | H8 | 179.4° | 179.9° |
| H6 | C12 | C13 | H7 | 179.9° | 180.0° |
| H6 | C12 | C13 | H8 | 59.2° | 60.0° |
| H9 | C16 | C17 | H11 | 60.5° | 180.0° |
| H9 | C16 | C17 | H12 | 59.5° | 60.0° |
| H9 | C16 | C17 | H13 | 179.4° | 60.0° |
| H10 | C16 | C17 | H11 | 60.6° | 60.0° |
| H10 | C16 | C17 | H12 | 179.4° | 179.9° |
| H10 | C16 | C17 | H13 | 59.5° | 60.0° |
| H11 | C17 | H12 | H13 | 120.0° | 120.0° |
| H14 | C18 | C60 | H42 | 58.1° | 174.7° |
| H14 | C18 | C60 | H43 | 178.1° | 54.6° |
| H14 | C18 | C60 | H44 | 61.8° | 65.3° |
| H14 | C18 | C8 | H45 | 168.6° | 59.4° |
| H16 | C21 | H17 | H18 | 120.0° | 120.0° |
| H19 | C22 | H20 | H21 | 120.0° | 120.0° |
| H22 | C23 | H23 | H24 | 120.0° | 120.0° |
| H25 | C24 | C25 | H27 | 171.6° | 172.7° |
| H26 | C24 | C25 | H27 | 52.6° | 67.3° |
| H27 | C25 | C26 | H28 | 178.5° | 180.0° |
| H27 | C25 | C26 | H29 | 59.1° | 60.0° |
| H27 | C25 | C30 | H36 | 180.0° | 59.9° |
| H27 | C25 | C30 | H37 | 60.4° | 180.0° |
| H28 | C26 | C27 | H30 | 174.7° | 60.0° |
| H28 | C26 | C27 | H31 | 55.3° | 180.0° |
| H29 | C26 | C27 | H30 | 55.3° | 60.0° |
| H29 | C26 | C27 | H31 | 64.1° | 60.0° |
| H30 | C27 | C28 | H32 | 53.5° | 60.0° |
| H30 | C27 | C28 | H33 | 172.9° | 60.0° |
| H31 | C27 | C28 | H32 | 65.9° | 180.0° |
| H31 | C27 | C28 | H33 | 53.5° | 60.0° |
| H32 | C28 | C29 | H34 | 55.0° | 60.0° |
| H32 | C28 | C29 | H35 | 64.6° | 180.0° |
| H33 | C28 | C29 | H34 | 174.4° | 60.0° |
| H33 | C28 | C29 | H35 | 54.8° | 60.0° |
| H34 | C29 | C30 | H36 | 177.7° | 60.0° |
| H34 | C29 | C30 | H37 | 58.0° | 59.9° |
| H35 | C29 | C30 | H36 | 58.0° | 60.0° |
| H35 | C29 | C30 | H37 | 61.6° | 179.9° |
| H38 | C4 | C5 | H39 | 0.3° | 0.3° |
| H42 | C60 | H43 | H44 | 120.0° | 120.0° |
