9HA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C20 | sing | 1.53Å | 1.53Å | |
| C1 | C | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| O6 | C20 | sing | 1.43Å | 1.44Å | |
| O6 | C18 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C23 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C30 | C25 | sing | 1.53Å | 1.53Å | |
| C60 | C18 | sing | 1.53Å | 1.53Å | |
| O1 | C7 | doub | 1.22Å | 1.22Å | |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C8 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| C8 | N | sing | 1.46Å | 1.44Å | |
| C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C6 | sing | 1.51Å | 1.51Å | |
| C24 | C10 | sing | 1.53Å | 1.54Å | |
| N1 | C9 | sing | 1.35Å | 1.33Å | |
| N1 | C10 | sing | 1.46Å | 1.45Å | |
| O3 | C11 | doub | 1.21Å | 1.22Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C7 | N | sing | 1.35Å | 1.32Å | |
| C7 | O | sing | 1.35Å | 1.46Å | |
| C9 | O2 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C11 | N2 | sing | 1.35Å | 1.33Å | |
| C6 | O | sing | 1.45Å | 1.43Å | |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| O5 | C15 | doub | 1.21Å | 1.22Å | |
| C15 | N3 | sing | 1.35Å | 1.34Å | |
| N2 | N3 | sing | 1.40Å | 1.33Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| N3 | C12 | sing | 1.47Å | 1.47Å | |
| N4 | C14 | sing | 1.35Å | 1.33Å | |
| C14 | O4 | doub | 1.21Å | 1.21Å | |
| 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 | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C4 | H36 | sing | 1.08Å | 1.08Å | |
| C5 | H37 | sing | 1.08Å | 1.08Å | |
| C6 | H38 | sing | 1.09Å | 1.10Å | |
| C6 | H39 | sing | 1.09Å | 1.10Å | |
| C60 | H40 | sing | 1.09Å | 1.10Å | |
| C60 | H41 | sing | 1.09Å | 1.10Å | |
| C60 | H42 | sing | 1.09Å | 1.10Å | |
| C8 | H43 | sing | 1.09Å | 1.10Å | |
| N1 | H44 | sing | 0.97Å | 1.00Å | |
| N2 | H45 | sing | 0.97Å | 1.00Å | |
| N4 | H46 | sing | 0.97Å | 1.00Å | |
| N4 | H47 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C20 | O6 | 109.3° | 109.5° |
| C22 | C20 | C23 | 107.2° | 109.5° |
| C22 | C20 | C21 | 108.7° | 109.5° |
| C20 | C22 | H17 | 109.5° | 109.5° |
| C20 | C22 | H18 | 109.5° | 109.5° |
| C20 | C22 | H19 | 109.5° | 109.5° |
| C | C1 | C2 | 120.1° | 120.0° |
| C1 | C | C5 | 119.8° | 120.0° |
| C1 | C | H2 | 120.1° | 120.0° |
| C | C1 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | 120.1° | 120.0° |
| C2 | C1 | H3 | 120.0° | 120.0° |
| C1 | C2 | H13 | 120.0° | 120.0° |
| C | C5 | C4 | 120.4° | 120.0° |
| C5 | C | H2 | 120.1° | 120.0° |
| C | C5 | H37 | 119.8° | 120.0° |
| C20 | O6 | C18 | 116.5° | 114.0° |
| O6 | C20 | C23 | 113.0° | 109.5° |
| O6 | C20 | C21 | 108.2° | 109.4° |
| O6 | C18 | C60 | 110.3° | 109.5° |
| O6 | C18 | C8 | 107.3° | 109.4° |
| O6 | C18 | H12 | 110.3° | 109.5° |
| C2 | C3 | C4 | 120.0° | 120.0° |
| C2 | C3 | C6 | 120.8° | 120.0° |
| C3 | C2 | H13 | 119.9° | 120.0° |
| C23 | C20 | C21 | 110.3° | 109.5° |
| C20 | C23 | H20 | 109.5° | 109.5° |
| C20 | C23 | H21 | 109.5° | 109.4° |
| C20 | C23 | H22 | 109.4° | 109.4° |
| C20 | C21 | H14 | 109.5° | 109.5° |
| C20 | C21 | H15 | 109.5° | 109.5° |
| C20 | C21 | H16 | 109.5° | 109.4° |
| C30 | C29 | C28 | 111.0° | 109.5° |
| C29 | C30 | C25 | 111.9° | 109.5° |
| C30 | C29 | H32 | 109.1° | 109.5° |
| C30 | C29 | H33 | 109.1° | 109.5° |
| C29 | C30 | H34 | 108.9° | 109.4° |
| C29 | C30 | H35 | 108.9° | 109.5° |
| C29 | C28 | C27 | 108.9° | 109.5° |
| C29 | C28 | H30 | 109.6° | 109.5° |
| C29 | C28 | H31 | 109.6° | 109.5° |
| C28 | C29 | H32 | 109.1° | 109.4° |
| C28 | C29 | H33 | 109.1° | 109.5° |
| C30 | C25 | C24 | 110.3° | 109.5° |
| C30 | C25 | C26 | 108.2° | 109.5° |
| C30 | C25 | H25 | 109.2° | 109.5° |
| C25 | C30 | H34 | 108.9° | 109.5° |
| C25 | C30 | H35 | 108.9° | 109.5° |
| C60 | C18 | C8 | 111.1° | 109.5° |
| C60 | C18 | H12 | 108.8° | 109.5° |
| C18 | C60 | H40 | 109.5° | 109.5° |
| C18 | C60 | H41 | 109.5° | 109.5° |
| C18 | C60 | H42 | 109.5° | 109.5° |
| O1 | C7 | N | 123.5° | 120.0° |
| O1 | C7 | O | 119.3° | 120.0° |
| C5 | C4 | C3 | 119.7° | 120.0° |
| C5 | C4 | H36 | 120.1° | 119.9° |
| C4 | C5 | H37 | 119.8° | 120.0° |
| C18 | C8 | C9 | 110.7° | 109.5° |
| C18 | C8 | N | 108.2° | 109.5° |
| C8 | C18 | H12 | 109.0° | 109.5° |
| C18 | C8 | H43 | 109.2° | 109.4° |
| C24 | C25 | C26 | 110.8° | 109.5° |
| C25 | C24 | C10 | 113.3° | 109.5° |
| C25 | C24 | H23 | 108.5° | 109.5° |
| C25 | C24 | H24 | 108.5° | 109.5° |
| C24 | C25 | H25 | 109.1° | 109.4° |
| C25 | C26 | C27 | 111.0° | 109.5° |
| C26 | C25 | H25 | 109.3° | 109.4° |
| C25 | C26 | H26 | 109.1° | 109.4° |
| C25 | C26 | H27 | 109.1° | 109.5° |
| C9 | C8 | N | 108.8° | 109.5° |
| C8 | C9 | N1 | 116.8° | 120.0° |
| C8 | C9 | O2 | 120.3° | 120.0° |
| C9 | C8 | H43 | 109.5° | 109.5° |
| C8 | N | C7 | 122.5° | 120.0° |
| C8 | N | H1 | 118.7° | 120.0° |
| N | C8 | H43 | 110.4° | 109.5° |
| C4 | C3 | C6 | 119.2° | 120.0° |
| C3 | C4 | H36 | 120.1° | 120.0° |
| C3 | C6 | O | 109.0° | 109.5° |
| C3 | C6 | H38 | 109.6° | 109.5° |
| C3 | C6 | H39 | 109.6° | 109.4° |
| C24 | C10 | N1 | 109.8° | 109.5° |
| C24 | C10 | C11 | 112.0° | 109.4° |
| C24 | C10 | H4 | 108.0° | 109.4° |
| C10 | C24 | H23 | 108.5° | 109.5° |
| C10 | C24 | H24 | 108.5° | 109.5° |
| C9 | N1 | C10 | 118.5° | 120.0° |
| N1 | C9 | O2 | 123.0° | 120.0° |
| C9 | N1 | H44 | 120.7° | 120.0° |
| N1 | C10 | C11 | 109.3° | 109.5° |
| N1 | C10 | H4 | 109.2° | 109.5° |
| C10 | N1 | H44 | 120.7° | 120.0° |
| O3 | C11 | C10 | 120.1° | 120.0° |
| O3 | C11 | N2 | 122.9° | 120.0° |
| C28 | C27 | C26 | 111.4° | 109.5° |
| C28 | C27 | H28 | 109.0° | 109.5° |
| C28 | C27 | H29 | 109.0° | 109.5° |
| C27 | C28 | H30 | 109.6° | 109.5° |
| C27 | C28 | H31 | 109.6° | 109.5° |
| N | C7 | O | 117.2° | 120.0° |
| C7 | N | H1 | 118.7° | 120.0° |
| C7 | O | C6 | 118.7° | 117.0° |
| C10 | C11 | N2 | 117.0° | 120.0° |
| C11 | C10 | H4 | 108.4° | 109.5° |
| C27 | C26 | H26 | 109.1° | 109.4° |
| C27 | C26 | H27 | 109.1° | 109.5° |
| C26 | C27 | H28 | 109.0° | 109.4° |
| C26 | C27 | H29 | 109.0° | 109.4° |
| C11 | N2 | N3 | 121.5° | 120.0° |
| C11 | N2 | H45 | 119.3° | 120.0° |
| O | C6 | H38 | 109.6° | 109.5° |
| O | C6 | H39 | 109.6° | 109.5° |
| C16 | C15 | O5 | 119.6° | 120.0° |
| C16 | C15 | N3 | 121.2° | 120.0° |
| C15 | C16 | H9 | 109.5° | 109.5° |
| C15 | C16 | H10 | 109.5° | 109.5° |
| C15 | C16 | H11 | 109.5° | 109.5° |
| O5 | C15 | N3 | 119.2° | 120.0° |
| C15 | N3 | N2 | 121.2° | 120.0° |
| C15 | N3 | C12 | 120.5° | 120.0° |
| N2 | N3 | C12 | 118.3° | 120.0° |
| N3 | N2 | H45 | 119.3° | 120.0° |
| C14 | C13 | C12 | 108.8° | 109.5° |
| C13 | C14 | N4 | 117.6° | 120.0° |
| C13 | C14 | O4 | 121.7° | 120.0° |
| C14 | C13 | H7 | 109.7° | 109.5° |
| C14 | C13 | H8 | 109.7° | 109.5° |
| C13 | C12 | N3 | 109.2° | 109.5° |
| C13 | C12 | H5 | 109.5° | 109.5° |
| C13 | C12 | H6 | 109.5° | 109.5° |
| C12 | C13 | H7 | 109.6° | 109.5° |
| C12 | C13 | H8 | 109.6° | 109.5° |
| N3 | C12 | H5 | 109.5° | 109.4° |
| N3 | C12 | H6 | 109.5° | 109.5° |
| N4 | C14 | O4 | 120.7° | 120.0° |
| C14 | N4 | H46 | 120.0° | 120.0° |
| C14 | N4 | H47 | 120.0° | 120.0° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H7 | C13 | H8 | 109.4° | 109.5° |
| H9 | C16 | H10 | 109.5° | 109.5° |
| H9 | C16 | H11 | 109.5° | 109.4° |
| H10 | C16 | H11 | 109.5° | 109.4° |
| H14 | C21 | H15 | 109.5° | 109.5° |
| H14 | C21 | H16 | 109.4° | 109.5° |
| H15 | C21 | H16 | 109.4° | 109.5° |
| H17 | C22 | H18 | 109.5° | 109.4° |
| H17 | C22 | H19 | 109.5° | 109.5° |
| H18 | C22 | H19 | 109.5° | 109.5° |
| H20 | C23 | H21 | 109.5° | 109.5° |
| H20 | C23 | H22 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H23 | C24 | H24 | 109.5° | 109.5° |
| H26 | C26 | H27 | 109.5° | 109.5° |
| H28 | C27 | H29 | 109.5° | 109.5° |
| H30 | C28 | H31 | 109.5° | 109.5° |
| H32 | C29 | H33 | 109.5° | 109.5° |
| H34 | C30 | H35 | 109.5° | 109.5° |
| H38 | C6 | H39 | 109.5° | 109.5° |
| H40 | C60 | H41 | 109.5° | 109.5° |
| H40 | C60 | H42 | 109.4° | 109.5° |
| H41 | C60 | H42 | 109.5° | 109.4° |
| H46 | N4 | H47 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C20 | O6 | C23 | 119.3° | 120.1° |
| C22 | C20 | O6 | C21 | 118.3° | 120.0° |
| C22 | C20 | O6 | C18 | 172.6° | 176.9° |
| C22 | C20 | C23 | C21 | 118.2° | 120.0° |
| C22 | C20 | C21 | H14 | 180.0° | 54.3° |
| C22 | C20 | C21 | H15 | 60.0° | 65.8° |
| C22 | C20 | C21 | H16 | 60.0° | 174.3° |
| C20 | C22 | H17 | H18 | 120.0° | 120.0° |
| C20 | C22 | H17 | H19 | 120.0° | 120.0° |
| C20 | C22 | H18 | H19 | 120.0° | 120.0° |
| C22 | C20 | C23 | H20 | 180.0° | 179.2° |
| C22 | C20 | C23 | H21 | 60.0° | 60.8° |
| C22 | C20 | C23 | H22 | 60.0° | 59.2° |
| C | C1 | C2 | H3 | 180.0° | 179.9° |
| C1 | C | C5 | H2 | 180.0° | 179.7° |
| C | C1 | C2 | C3 | 0.3° | 0.0° |
| C1 | C | C5 | C4 | 0.0° | NaN° |
| C | C1 | C2 | H13 | 179.8° | 180.0° |
| C1 | C | C5 | H37 | 179.9° | 179.7° |
| C2 | C1 | C | C5 | 0.2° | 0.0° |
| C1 | C2 | C3 | H13 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | C6 | 179.6° | 180.0° |
| C2 | C1 | C | H2 | 179.7° | 179.7° |
| C | C5 | C4 | H37 | 180.0° | 179.7° |
| C | C5 | C4 | C3 | 0.1° | 0.0° |
| C5 | C | C1 | H3 | 179.8° | 179.9° |
| C | C5 | C4 | H36 | 179.9° | 179.9° |
| O6 | C20 | C23 | C21 | 121.3° | 120.0° |
| C20 | O6 | C18 | C60 | 108.7° | 96.3° |
| C20 | O6 | C18 | C8 | 130.2° | 143.7° |
| C20 | O6 | C18 | H12 | 11.6° | 23.7° |
| O6 | C20 | C21 | H14 | 61.4° | 174.2° |
| O6 | C20 | C21 | H15 | 178.6° | 54.2° |
| O6 | C20 | C21 | H16 | 58.6° | 65.7° |
| O6 | C20 | C22 | H17 | 180.0° | 60.0° |
| O6 | C20 | C22 | H18 | 60.0° | 59.9° |
| O6 | C20 | C22 | H19 | 60.0° | 179.9° |
| O6 | C20 | C23 | H20 | 59.5° | 60.7° |
| O6 | C20 | C23 | H21 | 60.5° | 59.3° |
| O6 | C20 | C23 | H22 | 179.5° | 179.3° |
| C18 | O6 | C20 | C23 | 53.3° | 56.8° |
| C18 | O6 | C20 | C21 | 69.1° | 63.1° |
| O6 | C18 | C60 | C8 | 118.9° | 120.0° |
| O6 | C18 | C60 | H12 | 121.1° | 120.0° |
| O6 | C18 | C8 | H12 | 119.4° | 120.0° |
| O6 | C18 | C8 | C9 | 162.2° | 58.6° |
| O6 | C18 | C8 | N | 78.6° | 61.4° |
| O6 | C18 | C60 | H40 | 180.0° | 54.6° |
| O6 | C18 | C60 | H41 | 60.0° | 65.4° |
| O6 | C18 | C60 | H42 | 60.0° | 174.6° |
| O6 | C18 | C8 | H43 | 41.6° | 178.6° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | C6 | 179.7° | 180.0° |
| C2 | C3 | C6 | O | 98.8° | 90.0° |
| C3 | C2 | C1 | H3 | 179.7° | 179.9° |
| C2 | C3 | C4 | H36 | 179.9° | 179.9° |
| C2 | C3 | C6 | H38 | 141.3° | 30.1° |
| C2 | C3 | C6 | H39 | 21.1° | 150.0° |
| C23 | C20 | C21 | H14 | 62.7° | 65.8° |
| C23 | C20 | C21 | H15 | 57.3° | 174.2° |
| C23 | C20 | C21 | H16 | 177.3° | 54.2° |
| C23 | C20 | C22 | H17 | 57.2° | 60.0° |
| C23 | C20 | C22 | H18 | 62.9° | 180.0° |
| C23 | C20 | C22 | H19 | 177.2° | 60.0° |
| C20 | C23 | H20 | H21 | 120.0° | 120.0° |
| C20 | C23 | H20 | H22 | 120.0° | 120.0° |
| C20 | C23 | H21 | H22 | 120.0° | 119.9° |
| C20 | C21 | H14 | H15 | 120.0° | 120.0° |
| C20 | C21 | H14 | H16 | 120.0° | 120.0° |
| C20 | C21 | H15 | H16 | 120.0° | 119.9° |
| C21 | C20 | C22 | H17 | 62.0° | 180.0° |
| C21 | C20 | C22 | H18 | 177.9° | 60.0° |
| C21 | C20 | C22 | H19 | 58.0° | 60.0° |
| C21 | C20 | C23 | H20 | 61.8° | 59.2° |
| C21 | C20 | C23 | H21 | 178.2° | 179.3° |
| C21 | C20 | C23 | H22 | 58.2° | 60.8° |
| C30 | C29 | C28 | H32 | 120.2° | 120.0° |
| C30 | C29 | C28 | H33 | 120.2° | 120.0° |
| C29 | C30 | C25 | H34 | 120.4° | 120.0° |
| C29 | C30 | C25 | H35 | 120.4° | 120.0° |
| C29 | C30 | C25 | C24 | 178.3° | 180.0° |
| C29 | C30 | C25 | C26 | 56.9° | 60.0° |
| C30 | C29 | C28 | C27 | 56.4° | 60.0° |
| C29 | C30 | C25 | H25 | 61.9° | 60.0° |
| C30 | C29 | C28 | H30 | 176.3° | 60.0° |
| C30 | C29 | C28 | H31 | 63.5° | 180.0° |
| C30 | C29 | H32 | H33 | 119.3° | 120.0° |
| C29 | C30 | H34 | H35 | 118.9° | 120.0° |
| C28 | C29 | C30 | C25 | 57.7° | 60.0° |
| C29 | C28 | C27 | H30 | 119.9° | 120.0° |
| C29 | C28 | C27 | H31 | 119.9° | 120.0° |
| C29 | C28 | C27 | C26 | 57.6° | 60.0° |
| C29 | C28 | C27 | H28 | 62.6° | 180.0° |
| C29 | C28 | C27 | H29 | 177.9° | 60.0° |
| C29 | C28 | H30 | H31 | 120.3° | 120.0° |
| C28 | C29 | H32 | H33 | 119.3° | 120.0° |
| C28 | C29 | C30 | H34 | 62.6° | 180.0° |
| C28 | C29 | C30 | H35 | 178.1° | 60.0° |
| C30 | C25 | C24 | C26 | 119.7° | 120.0° |
| C30 | C25 | C24 | H25 | 119.9° | 120.0° |
| C30 | C25 | C26 | H25 | 118.8° | 120.1° |
| C30 | C25 | C24 | C10 | 174.2° | 67.7° |
| C30 | C25 | C26 | C27 | 57.5° | 60.0° |
| C30 | C25 | C24 | H23 | 53.7° | 52.3° |
| C30 | C25 | C24 | H24 | 65.2° | 172.3° |
| C30 | C25 | C26 | H26 | 62.7° | 59.9° |
| C30 | C25 | C26 | H27 | 177.7° | 180.0° |
| C25 | C30 | C29 | H32 | 62.5° | 180.0° |
| C25 | C30 | C29 | H33 | 178.0° | 60.0° |
| C25 | C30 | H34 | H35 | 118.9° | 120.0° |
| C60 | C18 | C8 | H12 | 119.9° | 120.0° |
| C60 | C18 | C8 | C9 | 41.5° | 178.6° |
| C60 | C18 | C8 | N | 160.7° | 58.6° |
| C18 | C60 | H40 | H41 | 120.0° | 120.1° |
| C18 | C60 | H40 | H42 | 120.0° | 120.0° |
| C18 | C60 | H41 | H42 | 120.0° | 120.0° |
| C60 | C18 | C8 | H43 | 79.1° | 61.4° |
| O1 | C7 | N | C8 | 4.0° | 4.7° |
| O1 | C7 | N | O | 179.6° | 180.0° |
| O1 | C7 | O | C6 | 4.1° | 0.0° |
| O1 | C7 | N | H1 | 176.0° | 175.0° |
| C5 | C4 | C3 | H36 | 180.0° | 179.9° |
| C5 | C4 | C3 | C6 | 179.8° | 180.0° |
| C4 | C5 | C | H2 | 179.9° | 179.7° |
| C18 | C8 | C9 | N | 118.8° | 120.0° |
| C18 | C8 | C9 | H43 | 120.4° | 120.0° |
| C18 | C8 | N | H43 | 119.4° | 119.9° |
| C18 | C8 | C9 | N1 | 114.9° | 71.9° |
| C18 | C8 | N | C7 | 127.5° | 95.3° |
| C18 | C8 | C9 | O2 | 65.8° | 108.2° |
| C18 | C8 | N | H1 | 52.5° | 84.4° |
| C8 | C18 | C60 | H40 | 61.1° | 65.4° |
| C8 | C18 | C60 | H41 | 58.9° | 174.6° |
| C8 | C18 | C60 | H42 | 178.9° | 54.6° |
| C24 | C25 | C26 | H25 | 120.3° | 119.9° |
| C25 | C24 | C10 | H23 | 120.6° | 120.0° |
| C25 | C24 | C10 | H24 | 120.6° | 120.0° |
| C25 | C24 | C10 | N1 | 61.7° | 173.8° |
| C25 | C24 | C10 | C11 | 176.7° | 66.2° |
| C24 | C25 | C26 | C27 | 178.5° | 180.0° |
| C25 | C24 | C10 | H4 | 57.3° | 53.7° |
| C25 | C24 | H23 | H24 | 118.2° | 120.0° |
| C24 | C25 | C26 | H26 | 58.3° | 60.1° |
| C24 | C25 | C26 | H27 | 61.3° | 60.0° |
| C24 | C25 | C30 | H34 | 57.9° | 60.0° |
| C24 | C25 | C30 | H35 | 61.4° | 60.0° |
| C26 | C25 | C24 | C10 | 54.5° | 172.3° |
| C25 | C26 | C27 | C28 | 59.7° | 60.0° |
| C25 | C26 | C27 | H26 | 120.2° | 119.9° |
| C25 | C26 | C27 | H27 | 120.3° | 120.1° |
| C26 | C25 | C24 | H23 | 66.1° | 67.7° |
| C26 | C25 | C24 | H24 | 175.1° | 52.2° |
| C25 | C26 | H26 | H27 | 119.3° | 120.1° |
| C25 | C26 | C27 | H28 | 60.6° | 180.0° |
| C25 | C26 | C27 | H29 | 180.0° | 60.0° |
| C26 | C25 | C30 | H34 | 63.4° | 180.0° |
| C26 | C25 | C30 | H35 | 177.3° | 60.0° |
| C9 | C8 | N | H43 | 120.2° | 120.0° |
| C8 | C9 | N1 | O2 | 179.3° | 180.0° |
| C8 | C9 | N1 | C10 | 179.3° | 174.8° |
| C9 | C8 | N | C7 | 112.2° | 144.7° |
| C9 | C8 | N | H1 | 67.8° | 35.6° |
| C9 | C8 | C18 | H12 | 78.4° | 61.3° |
| C8 | C9 | N1 | H44 | 0.7° | 5.2° |
| N | C8 | C9 | N1 | 126.2° | 168.1° |
| C8 | N | C7 | H1 | 180.0° | 179.7° |
| C8 | N | C7 | O | 175.6° | 175.3° |
| N | C8 | C9 | O2 | 53.1° | 11.9° |
| N | C8 | C18 | H12 | 40.8° | 178.6° |
| C4 | C3 | C6 | O | 81.0° | 90.0° |
| C4 | C3 | C2 | H13 | 179.9° | 180.0° |
| C3 | C4 | C5 | H37 | 179.9° | 179.7° |
| C4 | C3 | C6 | H38 | 39.0° | 149.9° |
| C4 | C3 | C6 | H39 | 159.1° | 30.0° |
| C3 | C6 | O | C7 | 77.4° | 179.9° |
| C3 | C6 | O | H38 | 119.9° | 120.0° |
| C3 | C6 | O | H39 | 119.9° | 119.9° |
| C6 | C3 | C2 | H13 | 0.4° | 0.1° |
| C6 | C3 | C4 | H36 | 0.2° | 0.0° |
| C3 | C6 | H38 | H39 | 120.2° | 119.9° |
| C24 | C10 | N1 | C9 | 171.4° | 86.5° |
| C24 | C10 | N1 | C11 | 123.2° | 120.0° |
| C24 | C10 | N1 | H4 | 118.3° | 120.0° |
| C24 | C10 | C11 | O3 | 80.6° | 105.0° |
| C24 | C10 | C11 | H4 | 119.1° | 120.0° |
| C24 | C10 | C11 | N2 | 99.7° | 75.0° |
| C10 | C24 | H23 | H24 | 118.2° | 120.0° |
| C10 | C24 | C25 | H25 | 65.8° | 52.3° |
| C24 | C10 | N1 | H44 | 8.6° | 93.5° |
| C9 | N1 | C10 | H44 | 180.0° | 180.0° |
| C9 | N1 | C10 | C11 | 65.4° | 153.5° |
| C9 | N1 | C10 | H4 | 53.1° | 33.5° |
| N1 | C9 | C8 | H43 | 5.5° | 48.1° |
| N1 | C10 | C11 | O3 | 41.3° | 15.0° |
| C10 | N1 | C9 | O2 | 1.4° | 5.3° |
| N1 | C10 | C11 | H4 | 119.0° | 120.0° |
| N1 | C10 | C11 | N2 | 138.4° | 164.9° |
| N1 | C10 | C24 | H23 | 177.8° | 53.8° |
| N1 | C10 | C24 | H24 | 58.9° | 66.2° |
| O3 | C11 | C10 | N2 | 179.7° | 180.0° |
| O3 | C11 | N2 | N3 | 1.9° | 4.2° |
| O3 | C11 | C10 | H4 | 160.2° | 135.1° |
| O3 | C11 | N2 | H45 | 178.1° | 175.7° |
| C28 | C27 | C26 | H28 | 120.3° | 120.0° |
| C28 | C27 | C26 | H29 | 120.3° | 120.0° |
| C28 | C27 | C26 | H26 | 60.5° | 60.0° |
| C28 | C27 | C26 | H27 | 180.0° | 180.0° |
| C28 | C27 | H28 | H29 | 119.1° | 120.0° |
| C27 | C28 | H30 | H31 | 120.3° | 120.0° |
| C27 | C28 | C29 | H32 | 63.9° | 180.0° |
| C27 | C28 | C29 | H33 | 176.6° | 60.0° |
| N | C7 | O | C6 | 175.5° | 180.0° |
| C7 | N | C8 | H43 | 8.0° | 24.6° |
| O | C7 | N | H1 | 4.4° | 5.0° |
| C7 | O | C6 | H38 | 162.7° | 60.0° |
| C7 | O | C6 | H39 | 42.5° | 60.0° |
| O2 | C9 | C8 | H43 | 173.8° | 131.9° |
| O2 | C9 | N1 | H44 | 178.5° | 174.7° |
| C10 | C11 | N2 | N3 | 178.5° | 175.8° |
| C11 | C10 | C24 | H23 | 56.1° | 173.8° |
| C11 | C10 | C24 | H24 | 62.7° | 53.8° |
| C11 | C10 | N1 | H44 | 114.6° | 26.5° |
| C10 | C11 | N2 | H45 | 1.6° | 4.3° |
| C27 | C26 | C25 | H25 | 61.3° | 60.1° |
| C27 | C26 | H26 | H27 | 119.3° | 120.0° |
| C26 | C27 | H28 | H29 | 119.1° | 120.0° |
| C26 | C27 | C28 | H30 | 177.6° | 60.0° |
| C26 | C27 | C28 | H31 | 62.3° | 180.0° |
| C11 | N2 | N3 | C15 | 79.6° | 75.0° |
| C11 | N2 | N3 | H45 | 180.0° | 179.9° |
| C11 | N2 | N3 | C12 | 102.7° | 104.9° |
| N2 | C11 | C10 | H4 | 19.4° | 44.9° |
| O | C6 | H38 | H39 | 120.2° | 120.0° |
| C16 | C15 | O5 | N3 | 178.8° | 180.0° |
| C16 | C15 | N3 | N2 | 19.1° | 0.0° |
| C16 | C15 | N3 | C12 | 158.6° | 180.0° |
| C15 | C16 | H9 | H10 | 120.0° | 120.0° |
| C15 | C16 | H9 | H11 | 120.0° | 120.1° |
| C15 | C16 | H10 | H11 | 120.0° | 120.0° |
| O5 | C15 | N3 | N2 | 162.1° | 180.0° |
| O5 | C15 | N3 | C12 | 20.2° | 0.0° |
| O5 | C15 | C16 | H9 | 0.0° | 180.0° |
| O5 | C15 | C16 | H10 | 120.0° | 60.0° |
| O5 | C15 | C16 | H11 | 120.0° | 60.0° |
| C15 | N3 | N2 | C12 | 177.8° | 180.0° |
| C15 | N3 | C12 | C13 | 98.8° | 85.0° |
| C15 | N3 | C12 | H5 | 21.1° | 155.0° |
| C15 | N3 | C12 | H6 | 141.2° | 35.0° |
| N3 | C15 | C16 | H9 | 178.8° | 0.0° |
| N3 | C15 | C16 | H10 | 58.8° | 120.0° |
| N3 | C15 | C16 | H11 | 61.2° | 120.0° |
| C15 | N3 | N2 | H45 | 100.5° | 105.0° |
| N2 | N3 | C12 | C13 | 83.4° | 95.0° |
| N2 | N3 | C12 | H5 | 156.7° | 25.0° |
| N2 | N3 | C12 | H6 | 36.6° | 145.0° |
| C14 | C13 | C12 | H7 | 119.9° | 120.0° |
| C14 | C13 | C12 | H8 | 119.9° | 120.0° |
| C14 | C13 | C12 | N3 | 176.4° | 180.0° |
| C13 | C14 | N4 | O4 | 179.7° | 180.0° |
| C14 | C13 | C12 | H5 | 56.4° | 60.0° |
| C14 | C13 | C12 | H6 | 63.6° | 60.0° |
| C14 | C13 | H7 | H8 | 120.3° | 120.0° |
| C13 | C14 | N4 | H46 | 179.7° | 0.0° |
| C13 | C14 | N4 | H47 | 0.3° | 180.0° |
| C13 | C12 | N3 | H5 | 120.0° | 120.0° |
| C13 | C12 | N3 | H6 | 120.0° | 120.0° |
| C12 | C13 | C14 | N4 | 159.2° | 180.0° |
| C12 | C13 | C14 | O4 | 20.5° | 0.0° |
| C13 | C12 | H5 | H6 | 120.1° | 120.0° |
| C12 | C13 | H7 | H8 | 120.3° | 120.0° |
| N3 | C12 | H5 | H6 | 120.1° | 120.0° |
| N3 | C12 | C13 | H7 | 63.7° | 60.0° |
| N3 | C12 | C13 | H8 | 56.5° | 60.0° |
| C12 | N3 | N2 | H45 | 77.3° | 75.0° |
| N4 | C14 | C13 | H7 | 80.9° | 60.0° |
| N4 | C14 | C13 | H8 | 39.3° | 60.0° |
| C14 | N4 | H46 | H47 | 180.0° | 180.0° |
| O4 | C14 | C13 | H7 | 99.4° | 120.0° |
| O4 | C14 | C13 | H8 | 140.4° | 120.0° |
| O4 | C14 | N4 | H46 | 0.0° | 179.9° |
| O4 | C14 | N4 | H47 | 180.0° | 0.0° |
| H1 | N | C8 | H43 | 172.0° | 155.7° |
| H2 | C | C1 | H3 | 0.3° | 0.3° |
| H2 | C | C5 | H37 | 0.1° | 0.0° |
| H3 | C1 | C2 | H13 | 0.3° | 0.0° |
| H4 | C10 | C24 | H23 | 63.2° | 66.3° |
| H4 | C10 | C24 | H24 | 177.9° | 173.8° |
| H4 | C10 | N1 | H44 | 126.9° | 146.5° |
| H5 | C12 | C13 | H7 | 176.3° | 60.0° |
| H5 | C12 | C13 | H8 | 63.5° | 180.0° |
| H6 | C12 | C13 | H7 | 56.3° | 180.0° |
| H6 | C12 | C13 | H8 | 176.4° | 60.0° |
| H9 | C16 | H10 | H11 | 120.0° | 119.9° |
| H12 | C18 | C60 | H40 | 58.8° | 174.6° |
| H12 | C18 | C60 | H41 | 178.8° | 54.6° |
| H12 | C18 | C60 | H42 | 61.1° | 65.4° |
| H12 | C18 | C8 | H43 | 161.0° | 58.6° |
| H14 | C21 | H15 | H16 | 120.0° | 120.0° |
| H17 | C22 | H18 | H19 | 120.0° | 120.0° |
| H20 | C23 | H21 | H22 | 120.0° | 120.1° |
| H23 | C24 | C25 | H25 | 173.6° | 172.3° |
| H24 | C24 | C25 | H25 | 54.7° | 67.7° |
| H25 | C25 | C26 | H26 | 178.5° | 180.0° |
| H25 | C25 | C26 | H27 | 59.0° | 59.9° |
| H25 | C25 | C30 | H34 | 177.7° | 60.0° |
| H25 | C25 | C30 | H35 | 58.5° | 180.0° |
| H26 | C26 | C27 | H28 | 179.2° | 60.0° |
| H26 | C26 | C27 | H29 | 59.8° | 179.9° |
| H27 | C26 | C27 | H28 | 59.7° | 60.0° |
| H27 | C26 | C27 | H29 | 59.8° | 60.0° |
| H28 | C27 | C28 | H30 | 57.3° | 60.0° |
| H28 | C27 | C28 | H31 | 177.5° | 60.0° |
| H29 | C27 | C28 | H30 | 62.1° | 180.0° |
| H29 | C27 | C28 | H31 | 58.0° | 60.0° |
| H30 | C28 | C29 | H32 | 56.1° | 60.0° |
| H30 | C28 | C29 | H33 | 63.5° | 180.0° |
| H31 | C28 | C29 | H32 | 176.2° | 60.0° |
| H31 | C28 | C29 | H33 | 56.7° | 60.0° |
| H32 | C29 | C30 | H34 | 177.1° | 60.0° |
| H32 | C29 | C30 | H35 | 57.9° | 60.0° |
| H33 | C29 | C30 | H34 | 57.6° | 60.0° |
| H33 | C29 | C30 | H35 | 61.7° | 180.0° |
| H36 | C4 | C5 | H37 | 0.1° | 0.2° |
| H40 | C60 | H41 | H42 | 119.9° | 120.0° |
