O8W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C26 | C30 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.51Å | |
| C29 | C31 | sing | 1.53Å | 1.51Å | |
| O | C19 | doub | 1.21Å | 1.22Å | |
| C24 | C18 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.51Å | 1.54Å | |
| C19 | N4 | sing | 1.35Å | 1.34Å | |
| C18 | N3 | sing | 1.47Å | 1.44Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.47Å | |
| N3 | C17 | sing | 1.35Å | 1.34Å | |
| N4 | C20 | sing | 1.46Å | 1.47Å | |
| C20 | C23 | sing | 1.53Å | 1.52Å | |
| C17 | O1 | doub | 1.21Å | 1.22Å | |
| C17 | C14 | sing | 1.48Å | 1.49Å | |
| C15 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.38Å | Aromatic |
| C16 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | N2 | sing | 1.46Å | 1.46Å | |
| N2 | C9 | sing | 1.35Å | 1.33Å | |
| C9 | O2 | doub | 1.22Å | 1.23Å | |
| C9 | C8 | sing | 1.47Å | 1.48Å | |
| C6 | C8 | sing | 1.42Å | 1.41Å | Aromatic |
| C6 | N1 | doub | 1.30Å | 1.32Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | N | sing | 1.40Å | 1.37Å | Aromatic |
| C7 | N | sing | 1.35Å | 1.36Å | Aromatic |
| C7 | N5 | sing | 1.38Å | 1.34Å | |
| N | C3 | sing | 1.40Å | 1.43Å | |
| C3 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| N3 | H8 | sing | 0.97Å | 1.00Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| N4 | H11 | sing | 0.97Å | 1.00Å | |
| N5 | H12 | sing | 0.97Å | 1.00Å | |
| N5 | H13 | sing | 0.97Å | 1.00Å | |
| C2 | H14 | sing | 1.08Å | 1.08Å | |
| C1 | H15 | sing | 1.08Å | 1.08Å | |
| C | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | 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 | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C28 | H39 | sing | 1.09Å | 1.10Å | |
| C28 | H40 | sing | 1.09Å | 1.10Å | |
| C27 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | H42 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C27 | C28 | 114.6° | 109.5° |
| C27 | C26 | C25 | 109.2° | 109.4° |
| C27 | C26 | C30 | 110.5° | 109.5° |
| C27 | C26 | H32 | 107.6° | 109.5° |
| C26 | C27 | H41 | 108.2° | 109.5° |
| C26 | C27 | H42 | 108.2° | 109.5° |
| C27 | C28 | C29 | 111.6° | 109.5° |
| C27 | C28 | H39 | 108.9° | 109.4° |
| C27 | C28 | H40 | 109.0° | 109.4° |
| C28 | C27 | H41 | 108.2° | 109.4° |
| C28 | C27 | H42 | 108.2° | 109.4° |
| C26 | C25 | C24 | 119.4° | 109.4° |
| C25 | C26 | C30 | 114.1° | 109.5° |
| C26 | C25 | H30 | 106.9° | 109.5° |
| C26 | C25 | H31 | 106.9° | 109.4° |
| C25 | C26 | H32 | 107.5° | 109.5° |
| C25 | C24 | C18 | 112.1° | 109.4° |
| C25 | C24 | H28 | 108.8° | 109.5° |
| C25 | C24 | H29 | 108.8° | 109.4° |
| C24 | C25 | H30 | 106.9° | 109.5° |
| C24 | C25 | H31 | 106.9° | 109.4° |
| C26 | C30 | C31 | 114.4° | 109.5° |
| C30 | C26 | H32 | 107.7° | 109.5° |
| C26 | C30 | H33 | 108.2° | 109.5° |
| C26 | C30 | H34 | 108.3° | 109.5° |
| C28 | C29 | C31 | 111.2° | 109.5° |
| C28 | C29 | H37 | 109.1° | 109.5° |
| C28 | C29 | H38 | 109.1° | 109.5° |
| C29 | C28 | H39 | 109.0° | 109.5° |
| C29 | C28 | H40 | 108.9° | 109.5° |
| C29 | C31 | C30 | 112.6° | 109.5° |
| C29 | C31 | H35 | 108.7° | 109.5° |
| C29 | C31 | H36 | 108.7° | 109.5° |
| C31 | C29 | H37 | 109.0° | 109.5° |
| C31 | C29 | H38 | 109.0° | 109.5° |
| O | C19 | C18 | 121.3° | 120.0° |
| O | C19 | N4 | 122.8° | 120.0° |
| C24 | C18 | C19 | 117.1° | 109.4° |
| C24 | C18 | N3 | 109.7° | 109.4° |
| C24 | C18 | H18 | 106.6° | 109.5° |
| C18 | C24 | H28 | 108.8° | 109.5° |
| C18 | C24 | H29 | 108.8° | 109.4° |
| C31 | C30 | H33 | 108.2° | 109.5° |
| C31 | C30 | H34 | 108.2° | 109.5° |
| C30 | C31 | H35 | 108.7° | 109.4° |
| C30 | C31 | H36 | 108.7° | 109.5° |
| C18 | C19 | N4 | 115.9° | 120.0° |
| C19 | C18 | N3 | 108.6° | 109.5° |
| C19 | C18 | H18 | 106.6° | 109.5° |
| C19 | N4 | C20 | 121.7° | 120.0° |
| C19 | N4 | H11 | 119.1° | 120.0° |
| C18 | N3 | C17 | 122.0° | 119.9° |
| C18 | N3 | H8 | 119.0° | 120.0° |
| N3 | C18 | H18 | 107.7° | 109.4° |
| C20 | C21 | C22 | 113.6° | 109.4° |
| C21 | C20 | N4 | 104.6° | 109.5° |
| C21 | C20 | C23 | 113.8° | 109.4° |
| C21 | C20 | H19 | 108.4° | 109.5° |
| C20 | C21 | H23 | 108.4° | 109.5° |
| C20 | C21 | H24 | 108.4° | 109.4° |
| C22 | C21 | H23 | 108.4° | 109.5° |
| C22 | C21 | H24 | 108.4° | 109.5° |
| C21 | C22 | H25 | 109.5° | 109.5° |
| C21 | C22 | H26 | 109.5° | 109.5° |
| C21 | C22 | H27 | 109.5° | 109.5° |
| N3 | C17 | O1 | 121.8° | 120.1° |
| N3 | C17 | C14 | 117.5° | 119.9° |
| C17 | N3 | H8 | 119.0° | 120.1° |
| N4 | C20 | C23 | 112.0° | 109.5° |
| C20 | N4 | H11 | 119.1° | 120.0° |
| N4 | C20 | H19 | 109.3° | 109.5° |
| C23 | C20 | H19 | 108.5° | 109.4° |
| C20 | C23 | H20 | 109.5° | 109.5° |
| C20 | C23 | H21 | 109.5° | 109.5° |
| C20 | C23 | H22 | 109.5° | 109.5° |
| O1 | C17 | C14 | 120.7° | 120.0° |
| C17 | C14 | C15 | 123.6° | 120.2° |
| C17 | C14 | C13 | 117.9° | 120.1° |
| C14 | C15 | C16 | 120.6° | 119.9° |
| C15 | C14 | C13 | 118.4° | 119.7° |
| C14 | C15 | H10 | 119.7° | 120.1° |
| C15 | C16 | C11 | 120.9° | 120.1° |
| C16 | C15 | H10 | 119.7° | 120.0° |
| C15 | C16 | H17 | 119.6° | 119.9° |
| C14 | C13 | C12 | 120.7° | 119.8° |
| C14 | C13 | H9 | 119.7° | 120.0° |
| C16 | C11 | C12 | 118.3° | 120.3° |
| C16 | C11 | C10 | 120.1° | 119.8° |
| C11 | C16 | H17 | 119.5° | 120.0° |
| C13 | C12 | C11 | 121.1° | 120.2° |
| C13 | C12 | H7 | 119.4° | 119.9° |
| C12 | C13 | H9 | 119.7° | 120.1° |
| C12 | C11 | C10 | 121.5° | 119.9° |
| C11 | C12 | H7 | 119.4° | 119.9° |
| C11 | C10 | N2 | 114.1° | 109.5° |
| C11 | C10 | H5 | 108.3° | 109.5° |
| C11 | C10 | H6 | 108.3° | 109.5° |
| C10 | N2 | C9 | 122.4° | 120.0° |
| C10 | N2 | H4 | 118.8° | 120.0° |
| N2 | C10 | H5 | 108.3° | 109.5° |
| N2 | C10 | H6 | 108.3° | 109.5° |
| N2 | C9 | O2 | 123.4° | 120.0° |
| N2 | C9 | C8 | 116.3° | 120.0° |
| C9 | N2 | H4 | 118.8° | 120.0° |
| O2 | C9 | C8 | 120.3° | 120.0° |
| C9 | C8 | C6 | 131.1° | 126.5° |
| C9 | C8 | C7 | 124.2° | 126.5° |
| C8 | C6 | N1 | 112.4° | 108.3° |
| C6 | C8 | C7 | 104.5° | 107.0° |
| C8 | C6 | H3 | 123.8° | 125.9° |
| C6 | N1 | N | 104.5° | 109.2° |
| N1 | C6 | H3 | 123.8° | 125.8° |
| C8 | C7 | N | 106.6° | 107.1° |
| C8 | C7 | N5 | 129.6° | 126.5° |
| N1 | N | C7 | 112.0° | 108.5° |
| N1 | N | C3 | 118.7° | 125.7° |
| N | C7 | N5 | 123.8° | 126.4° |
| C7 | N | C3 | 129.2° | 125.8° |
| C7 | N5 | H12 | 109.5° | 120.1° |
| C7 | N5 | H13 | 109.5° | 119.9° |
| N | C3 | C2 | 119.7° | 120.1° |
| N | C3 | C4 | 120.0° | 120.1° |
| C2 | C3 | C4 | 120.2° | 119.9° |
| C3 | C2 | C1 | 119.6° | 119.9° |
| C3 | C2 | H14 | 120.2° | 120.1° |
| C3 | C4 | C5 | 119.6° | 119.9° |
| C3 | C4 | H1 | 120.2° | 120.0° |
| C2 | C1 | C | 120.4° | 120.1° |
| C1 | C2 | H14 | 120.2° | 120.0° |
| C2 | C1 | H15 | 119.8° | 120.0° |
| C4 | C5 | C | 120.3° | 120.1° |
| C5 | C4 | H1 | 120.2° | 120.1° |
| C4 | C5 | H2 | 119.8° | 120.0° |
| C1 | C | C5 | 119.9° | 120.1° |
| C | C1 | H15 | 119.8° | 120.0° |
| C1 | C | H16 | 120.0° | 119.9° |
| C | C5 | H2 | 119.8° | 119.9° |
| C5 | C | H16 | 120.1° | 120.0° |
| H5 | C10 | H6 | 109.5° | 109.5° |
| H12 | N5 | H13 | 109.5° | 120.0° |
| H20 | C23 | H21 | 109.4° | 109.5° |
| H20 | C23 | H22 | 109.4° | 109.4° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H23 | C21 | H24 | 109.5° | 109.5° |
| H25 | C22 | H26 | 109.5° | 109.5° |
| H25 | C22 | H27 | 109.4° | 109.5° |
| H26 | C22 | H27 | 109.5° | 109.4° |
| H28 | C24 | H29 | 109.5° | 109.5° |
| H30 | C25 | H31 | 109.5° | 109.5° |
| H33 | C30 | H34 | 109.5° | 109.5° |
| H35 | C31 | H36 | 109.5° | 109.5° |
| H37 | C29 | H38 | 109.4° | 109.5° |
| H39 | C28 | H40 | 109.5° | 109.6° |
| H41 | C27 | H42 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C27 | C28 | H41 | 120.7° | 120.0° |
| C26 | C27 | C28 | H42 | 120.7° | 120.0° |
| C27 | C26 | C25 | C30 | 124.2° | 120.0° |
| C27 | C26 | C25 | H32 | 116.4° | 120.0° |
| C27 | C26 | C25 | C24 | 160.4° | 65.1° |
| C27 | C26 | C30 | H32 | 117.2° | 120.0° |
| C26 | C27 | C28 | C29 | 26.2° | 60.0° |
| C27 | C26 | C30 | C31 | 55.7° | 60.0° |
| C27 | C26 | C25 | H30 | 39.0° | 55.0° |
| C27 | C26 | C25 | H31 | 78.2° | 175.0° |
| C27 | C26 | C30 | H33 | 65.0° | 60.0° |
| C27 | C26 | C30 | H34 | 176.4° | 180.0° |
| C26 | C27 | C28 | H39 | 146.5° | 180.0° |
| C26 | C27 | C28 | H40 | 94.1° | 60.0° |
| C26 | C27 | H41 | H42 | 117.7° | 120.1° |
| C28 | C27 | C26 | C25 | 157.0° | 180.0° |
| C28 | C27 | C26 | C30 | 30.7° | 60.0° |
| C27 | C28 | C29 | H39 | 120.3° | 120.0° |
| C27 | C28 | C29 | H40 | 120.3° | 119.9° |
| C27 | C28 | C29 | C31 | 63.3° | 60.0° |
| C28 | C27 | C26 | H32 | 86.6° | 60.0° |
| C27 | C28 | C29 | H37 | 57.0° | 60.0° |
| C27 | C28 | C29 | H38 | 176.5° | 180.0° |
| C27 | C28 | H39 | H40 | 119.1° | 120.0° |
| C28 | C27 | H41 | H42 | 117.7° | 119.9° |
| C26 | C25 | C24 | H30 | 121.4° | 120.0° |
| C26 | C25 | C24 | H31 | 121.4° | 119.9° |
| C25 | C26 | C30 | H32 | 119.3° | 120.1° |
| C26 | C25 | C24 | C18 | 98.4° | NaN° |
| C25 | C26 | C30 | C31 | 179.2° | 180.0° |
| C26 | C25 | C24 | H28 | 141.2° | 59.9° |
| C26 | C25 | C24 | H29 | 22.0° | 60.1° |
| C26 | C25 | H30 | H31 | 115.5° | 120.0° |
| C25 | C26 | C30 | H33 | 58.5° | 59.9° |
| C25 | C26 | C30 | H34 | 60.0° | 60.0° |
| C25 | C26 | C27 | H41 | 82.2° | 60.1° |
| C25 | C26 | C27 | H42 | 36.3° | 60.0° |
| C24 | C25 | C26 | C30 | 36.2° | 175.0° |
| C25 | C24 | C18 | H28 | 120.4° | 120.0° |
| C25 | C24 | C18 | H29 | 120.4° | 119.9° |
| C25 | C24 | C18 | C19 | 68.9° | 175.0° |
| C25 | C24 | C18 | N3 | 166.8° | 65.0° |
| C25 | C24 | C18 | H18 | 50.3° | 54.9° |
| C25 | C24 | H28 | H29 | 118.8° | 120.0° |
| C24 | C25 | H30 | H31 | 115.5° | 120.0° |
| C24 | C25 | C26 | H32 | 83.1° | 55.0° |
| C26 | C30 | C31 | C29 | 20.3° | 60.0° |
| C26 | C30 | C31 | H33 | 120.7° | 120.0° |
| C26 | C30 | C31 | H34 | 120.8° | 120.0° |
| C30 | C26 | C25 | H30 | 85.2° | 65.0° |
| C30 | C26 | C25 | H31 | 157.6° | 55.1° |
| C26 | C30 | H33 | H34 | 117.8° | 120.0° |
| C26 | C30 | C31 | H35 | 100.2° | 180.0° |
| C26 | C30 | C31 | H36 | 140.8° | 60.0° |
| C30 | C26 | C27 | H41 | 151.4° | 180.0° |
| C30 | C26 | C27 | H42 | 90.0° | 60.0° |
| C28 | C29 | C31 | H37 | 120.3° | 120.0° |
| C28 | C29 | C31 | H38 | 120.3° | 120.0° |
| C28 | C29 | C31 | C30 | 38.4° | 60.0° |
| C28 | C29 | C31 | H35 | 158.8° | 180.0° |
| C28 | C29 | C31 | H36 | 82.1° | 60.0° |
| C28 | C29 | H37 | H38 | 119.2° | 120.0° |
| C29 | C28 | H39 | H40 | 119.0° | 120.0° |
| C29 | C28 | C27 | H41 | 94.5° | 180.0° |
| C29 | C28 | C27 | H42 | 147.0° | 60.1° |
| C29 | C31 | C30 | H35 | 120.5° | 120.0° |
| C29 | C31 | C30 | H36 | 120.5° | 120.0° |
| C29 | C31 | C30 | H33 | 100.4° | 60.0° |
| C29 | C31 | C30 | H34 | 141.0° | 180.0° |
| C29 | C31 | H35 | H36 | 118.6° | 120.0° |
| C31 | C29 | H37 | H38 | 119.2° | 120.0° |
| C31 | C29 | C28 | H39 | 176.4° | 179.9° |
| C31 | C29 | C28 | H40 | 57.1° | 60.0° |
| O | C19 | C18 | C24 | 4.6° | 120.0° |
| O | C19 | C18 | N4 | 178.1° | 180.0° |
| O | C19 | C18 | N3 | 120.3° | 0.0° |
| O | C19 | N4 | C20 | 16.8° | 0.0° |
| O | C19 | N4 | H11 | 163.2° | 180.0° |
| O | C19 | C18 | H18 | 123.8° | 120.0° |
| C24 | C18 | C19 | N3 | 124.9° | 119.9° |
| C24 | C18 | C19 | H18 | 119.2° | 120.0° |
| C24 | C18 | C19 | N4 | 177.3° | 60.1° |
| C24 | C18 | N3 | H18 | 115.8° | 120.0° |
| C24 | C18 | N3 | C17 | 88.7° | 155.0° |
| C24 | C18 | N3 | H8 | 91.3° | 25.0° |
| C18 | C24 | H28 | H29 | 118.8° | 120.0° |
| C18 | C24 | C25 | H30 | 23.0° | 60.0° |
| C18 | C24 | C25 | H31 | 140.2° | 60.1° |
| C31 | C30 | C26 | H32 | 61.5° | 60.0° |
| C31 | C30 | H33 | H34 | 117.7° | 120.0° |
| C30 | C31 | H35 | H36 | 118.6° | 120.0° |
| C30 | C31 | C29 | H37 | 81.9° | 60.0° |
| C30 | C31 | C29 | H38 | 158.6° | 180.0° |
| C19 | C18 | N3 | H18 | 115.1° | 120.1° |
| C19 | C18 | N3 | C17 | 142.1° | 85.0° |
| C18 | C19 | N4 | C20 | 161.2° | 180.0° |
| C19 | C18 | N3 | H8 | 37.9° | 94.9° |
| C18 | C19 | N4 | H11 | 18.7° | 0.0° |
| C19 | C18 | C24 | H28 | 51.5° | 65.0° |
| C19 | C18 | C24 | H29 | 170.7° | 55.1° |
| N4 | C19 | C18 | N3 | 57.8° | 180.0° |
| C19 | N4 | C20 | C21 | 94.1° | 155.0° |
| C19 | N4 | C20 | H11 | 180.0° | 180.0° |
| C19 | N4 | C20 | C23 | 142.1° | 85.0° |
| N4 | C19 | C18 | H18 | 58.1° | 60.0° |
| C19 | N4 | C20 | H19 | 21.8° | 34.9° |
| C18 | N3 | C17 | H8 | 180.0° | 180.0° |
| C18 | N3 | C17 | O1 | 2.7° | 0.0° |
| C18 | N3 | C17 | C14 | 176.6° | 180.0° |
| N3 | C18 | C24 | H28 | 72.9° | 55.0° |
| N3 | C18 | C24 | H29 | 46.4° | 175.1° |
| C20 | C21 | C22 | H23 | 120.6° | 120.0° |
| C20 | C21 | C22 | H24 | 120.6° | 120.0° |
| C21 | C20 | N4 | C23 | 123.7° | 120.0° |
| C21 | C20 | N4 | H19 | 115.9° | 120.1° |
| C21 | C20 | C23 | H19 | 120.8° | 120.0° |
| C21 | C20 | N4 | H11 | 85.9° | 25.0° |
| C21 | C20 | C23 | H20 | 180.0° | 60.1° |
| C21 | C20 | C23 | H21 | 60.0° | 60.0° |
| C21 | C20 | C23 | H22 | 60.0° | 180.0° |
| C20 | C21 | H23 | H24 | 118.1° | 120.0° |
| C20 | C21 | C22 | H25 | 180.0° | 60.0° |
| C20 | C21 | C22 | H26 | 60.0° | 60.0° |
| C20 | C21 | C22 | H27 | 60.0° | 180.0° |
| C22 | C21 | C20 | N4 | 72.7° | 65.0° |
| C22 | C21 | C20 | C23 | 49.9° | 175.0° |
| C22 | C21 | C20 | H19 | 170.8° | 55.1° |
| C22 | C21 | H23 | H24 | 118.1° | 120.0° |
| C21 | C22 | H25 | H26 | 120.0° | 120.0° |
| C21 | C22 | H25 | H27 | 120.0° | 120.0° |
| C21 | C22 | H26 | H27 | 120.0° | 120.0° |
| N3 | C17 | O1 | C14 | 179.3° | 180.0° |
| N3 | C17 | C14 | C15 | 26.3° | 0.0° |
| N3 | C17 | C14 | C13 | 157.5° | 180.0° |
| C17 | N3 | C18 | H18 | 27.0° | 35.1° |
| N4 | C20 | C23 | H19 | 120.8° | 120.0° |
| N4 | C20 | C23 | H20 | 61.6° | 59.9° |
| N4 | C20 | C23 | H21 | 58.4° | 180.0° |
| N4 | C20 | C23 | H22 | 178.4° | 60.0° |
| N4 | C20 | C21 | H23 | 47.9° | 175.0° |
| N4 | C20 | C21 | H24 | 166.7° | 55.0° |
| C23 | C20 | N4 | H11 | 37.9° | 95.0° |
| C20 | C23 | H20 | H21 | 120.0° | 120.1° |
| C20 | C23 | H20 | H22 | 120.0° | 120.0° |
| C20 | C23 | H21 | H22 | 120.0° | 120.0° |
| C23 | C20 | C21 | H23 | 170.5° | 55.0° |
| C23 | C20 | C21 | H24 | 70.7° | 65.0° |
| O1 | C17 | C14 | C15 | 153.0° | 179.9° |
| O1 | C17 | C14 | C13 | 23.2° | 0.0° |
| O1 | C17 | N3 | H8 | 177.3° | 180.0° |
| C17 | C14 | C15 | C13 | 176.1° | 179.9° |
| C17 | C14 | C15 | C16 | 174.5° | 179.8° |
| C17 | C14 | C13 | C12 | 174.6° | 180.0° |
| C14 | C17 | N3 | H8 | 3.4° | 0.0° |
| C17 | C14 | C13 | H9 | 5.4° | 0.0° |
| C17 | C14 | C15 | H10 | 5.5° | 0.0° |
| C14 | C15 | C16 | H10 | 180.0° | 179.8° |
| C14 | C15 | C16 | C11 | 0.2° | 0.5° |
| C15 | C14 | C13 | C12 | 1.8° | 0.0° |
| C15 | C14 | C13 | H9 | 178.2° | 180.0° |
| C14 | C15 | C16 | H17 | 179.8° | 179.9° |
| C16 | C15 | C14 | C13 | 1.6° | 0.3° |
| C15 | C16 | C11 | H17 | 180.0° | 179.6° |
| C15 | C16 | C11 | C12 | 1.0° | 0.5° |
| C15 | C16 | C11 | C10 | 177.3° | 179.8° |
| C14 | C13 | C12 | H9 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.5° | 0.1° |
| C14 | C13 | C12 | H7 | 179.4° | 180.0° |
| C13 | C14 | C15 | H10 | 178.4° | 180.0° |
| C16 | C11 | C12 | C13 | 0.9° | 0.3° |
| C16 | C11 | C12 | C10 | 178.3° | 179.7° |
| C16 | C11 | C10 | N2 | 163.2° | 90.3° |
| C16 | C11 | C10 | H5 | 76.1° | 149.7° |
| C16 | C11 | C10 | H6 | 42.5° | 29.7° |
| C16 | C11 | C12 | H7 | 179.1° | 179.8° |
| C11 | C16 | C15 | H10 | 179.8° | 179.7° |
| C13 | C12 | C11 | H7 | 180.0° | 179.9° |
| C13 | C12 | C11 | C10 | 177.4° | 180.0° |
| C12 | C11 | C10 | N2 | 15.0° | 90.0° |
| C12 | C11 | C10 | H5 | 105.6° | 30.0° |
| C12 | C11 | C10 | H6 | 135.8° | 150.0° |
| C11 | C12 | C13 | H9 | 179.4° | 179.9° |
| C12 | C11 | C16 | H17 | 179.0° | 179.9° |
| C11 | C10 | N2 | H5 | 120.7° | 120.0° |
| C11 | C10 | N2 | H6 | 120.7° | 120.0° |
| C11 | C10 | N2 | C9 | 87.0° | 180.0° |
| C11 | C10 | N2 | H4 | 93.0° | 0.0° |
| C11 | C10 | H5 | H6 | 117.9° | 120.0° |
| C10 | C11 | C12 | H7 | 2.5° | 0.1° |
| C10 | C11 | C16 | H17 | 2.7° | 0.2° |
| C10 | N2 | C9 | H4 | 180.0° | 180.0° |
| C10 | N2 | C9 | O2 | 5.6° | 0.0° |
| C10 | N2 | C9 | C8 | 171.9° | 180.0° |
| N2 | C10 | H5 | H6 | 117.9° | 120.0° |
| N2 | C9 | O2 | C8 | 177.4° | 180.0° |
| N2 | C9 | C8 | C6 | 10.9° | 0.1° |
| N2 | C9 | C8 | C7 | 175.2° | 180.0° |
| C9 | N2 | C10 | H5 | 33.7° | 60.0° |
| C9 | N2 | C10 | H6 | 152.3° | 60.0° |
| O2 | C9 | C8 | C6 | 166.7° | 179.9° |
| O2 | C9 | C8 | C7 | 7.2° | 0.0° |
| O2 | C9 | N2 | H4 | 174.3° | 180.0° |
| C9 | C8 | C6 | C7 | 174.8° | 179.9° |
| C9 | C8 | C6 | N1 | 173.7° | 180.0° |
| C9 | C8 | C7 | N | 173.9° | 180.0° |
| C9 | C8 | C7 | N5 | 4.7° | 0.1° |
| C9 | C8 | C6 | H3 | 6.2° | 0.2° |
| C8 | C9 | N2 | H4 | 8.1° | 0.0° |
| C8 | C6 | N1 | H3 | 180.0° | 179.8° |
| C8 | C6 | N1 | N | 0.3° | 0.0° |
| C6 | C8 | C7 | N | 1.4° | 0.0° |
| C6 | C8 | C7 | N5 | 180.0° | 180.0° |
| N1 | C6 | C8 | C7 | 1.1° | 0.0° |
| C6 | N1 | N | C7 | 0.6° | 0.0° |
| C6 | N1 | N | C3 | 175.2° | 180.0° |
| C8 | C7 | N | N1 | 1.3° | 0.0° |
| C8 | C7 | N | N5 | 178.7° | 179.9° |
| C8 | C7 | N | C3 | 174.0° | 180.0° |
| C7 | C8 | C6 | H3 | 179.0° | 179.8° |
| C8 | C7 | N5 | H12 | 180.0° | 179.9° |
| C8 | C7 | N5 | H13 | 60.0° | 0.1° |
| N1 | N | C7 | C3 | 175.2° | 180.0° |
| N1 | N | C7 | N5 | 180.0° | 179.9° |
| N1 | N | C3 | C2 | 70.4° | 35.0° |
| N1 | N | C3 | C4 | 111.9° | 145.0° |
| N | N1 | C6 | H3 | 179.7° | 179.8° |
| C7 | N | C3 | C2 | 104.5° | 145.0° |
| C7 | N | C3 | C4 | 73.1° | 35.0° |
| N | C7 | N5 | H12 | 1.6° | 0.0° |
| N | C7 | N5 | H13 | 118.4° | 180.0° |
| N5 | C7 | N | C3 | 4.8° | 0.0° |
| C7 | N5 | H12 | H13 | 120.0° | 180.0° |
| N | C3 | C2 | C4 | 177.6° | 180.0° |
| N | C3 | C2 | C1 | 177.3° | 180.0° |
| N | C3 | C4 | C5 | 177.5° | 179.9° |
| N | C3 | C4 | H1 | 2.5° | 0.3° |
| N | C3 | C2 | H14 | 2.7° | 0.0° |
| C3 | C2 | C1 | H14 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C2 | C1 | C | 0.3° | 0.3° |
| C2 | C3 | C4 | H1 | 179.8° | 179.7° |
| C3 | C2 | C1 | H15 | 179.7° | 180.0° |
| C4 | C3 | C2 | C1 | 0.3° | 0.0° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | C | 0.0° | 0.2° |
| C3 | C4 | C5 | H2 | 180.0° | 179.7° |
| C4 | C3 | C2 | H14 | 179.7° | 180.0° |
| C2 | C1 | C | H15 | 180.0° | 179.7° |
| C2 | C1 | C | C5 | 0.2° | 0.5° |
| C2 | C1 | C | H16 | 179.8° | 180.0° |
| C4 | C5 | C | C1 | 0.0° | 0.5° |
| C4 | C5 | C | H2 | 180.0° | 180.0° |
| C4 | C5 | C | H16 | 180.0° | 180.0° |
| C1 | C | C5 | H16 | 180.0° | 179.5° |
| C1 | C | C5 | H2 | 180.0° | 179.4° |
| C | C1 | C2 | H14 | 179.7° | 179.7° |
| C | C5 | C4 | H1 | 180.0° | 180.0° |
| C5 | C | C1 | H15 | 179.8° | 179.7° |
| H1 | C4 | C5 | H2 | 0.0° | 0.0° |
| H2 | C5 | C | H16 | 0.0° | 0.0° |
| H4 | N2 | C10 | H5 | 146.3° | 120.0° |
| H4 | N2 | C10 | H6 | 27.7° | 120.0° |
| H7 | C12 | C13 | H9 | 0.6° | 0.0° |
| H8 | N3 | C18 | H18 | 152.9° | 145.0° |
| H10 | C15 | C16 | H17 | 0.2° | 0.1° |
| H11 | N4 | C20 | H19 | 158.2° | 145.0° |
| H14 | C2 | C1 | H15 | 0.3° | 0.0° |
| H15 | C1 | C | H16 | 0.2° | 0.3° |
| H18 | C18 | C24 | H28 | 170.7° | 174.9° |
| H18 | C18 | C24 | H29 | 70.1° | 65.0° |
| H19 | C20 | C23 | H20 | 59.2° | 180.0° |
| H19 | C20 | C23 | H21 | 179.2° | 60.0° |
| H19 | C20 | C23 | H22 | 60.8° | 60.0° |
| H19 | C20 | C21 | H23 | 68.6° | 65.0° |
| H19 | C20 | C21 | H24 | 50.2° | 175.0° |
| H20 | C23 | H21 | H22 | 119.9° | 119.9° |
| H23 | C21 | C22 | H25 | 59.4° | 179.9° |
| H23 | C21 | C22 | H26 | 179.4° | 60.0° |
| H23 | C21 | C22 | H27 | 60.6° | 60.0° |
| H24 | C21 | C22 | H25 | 59.4° | 60.0° |
| H24 | C21 | C22 | H26 | 60.6° | 180.0° |
| H24 | C21 | C22 | H27 | 179.4° | 60.0° |
| H25 | C22 | H26 | H27 | 120.0° | 120.0° |
| H28 | C24 | C25 | H30 | 97.4° | 179.9° |
| H28 | C24 | C25 | H31 | 19.8° | 60.0° |
| H29 | C24 | C25 | H30 | 143.4° | 59.9° |
| H29 | C24 | C25 | H31 | 99.4° | 180.0° |
| H30 | C25 | C26 | H32 | 155.5° | 175.0° |
| H31 | C25 | C26 | H32 | 38.3° | 65.0° |
| H32 | C26 | C30 | H33 | 177.8° | 180.0° |
| H32 | C26 | C30 | H34 | 59.2° | 60.0° |
| H32 | C26 | C27 | H41 | 34.2° | 60.0° |
| H32 | C26 | C27 | H42 | 152.7° | 180.0° |
| H33 | C30 | C31 | H35 | 139.1° | 60.0° |
| H33 | C30 | C31 | H36 | 20.0° | 180.0° |
| H34 | C30 | C31 | H35 | 20.6° | 60.0° |
| H34 | C30 | C31 | H36 | 98.5° | 60.0° |
| H35 | C31 | C29 | H37 | 38.5° | 60.0° |
| H35 | C31 | C29 | H38 | 80.9° | 60.0° |
| H36 | C31 | C29 | H37 | 157.6° | NaN° |
| H36 | C31 | C29 | H38 | 38.2° | 60.0° |
| H37 | C29 | C28 | H39 | 63.3° | 60.0° |
| H37 | C29 | C28 | H40 | 177.3° | 179.9° |
| H38 | C29 | C28 | H39 | 56.2° | 60.0° |
| H38 | C29 | C28 | H40 | 63.2° | 60.1° |
| H39 | C28 | C27 | H41 | 25.8° | 60.0° |
| H39 | C28 | C27 | H42 | 92.7° | 59.9° |
| H40 | C28 | C27 | H41 | 145.2° | 60.0° |
| H40 | C28 | C27 | H42 | 26.6° | 180.0° |
