YOH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | N4 | sing | 1.47Å | 1.45Å | |
| N4 | C20 | sing | 1.47Å | 1.45Å | |
| N4 | C21 | sing | 1.47Å | 1.46Å | |
| C20 | C19 | sing | 1.53Å | 1.50Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C1 | N | sing | 1.47Å | 1.48Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C | N | sing | 1.47Å | 1.47Å | |
| N | C2 | sing | 1.47Å | 1.45Å | |
| C3 | C2 | sing | 1.53Å | 1.50Å | |
| C3 | C4 | sing | 1.53Å | 1.48Å | |
| C16 | N3 | sing | 1.47Å | 1.45Å | |
| N3 | C15 | sing | 1.38Å | 1.35Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C5 | C6 | sing | 1.53Å | 1.48Å | |
| C6 | C7 | sing | 1.53Å | 1.48Å | |
| C7 | N1 | sing | 1.46Å | 1.45Å | |
| N5 | C15 | doub | 1.33Å | 1.35Å | Aromatic |
| N5 | C8 | sing | 1.33Å | 1.34Å | Aromatic |
| C15 | N2 | sing | 1.32Å | 1.33Å | Aromatic |
| N1 | C8 | sing | 1.38Å | 1.32Å | |
| N2 | C14 | doub | 1.34Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.42Å | 1.43Å | Aromatic |
| C14 | C9 | sing | 1.42Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.43Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.35Å | Aromatic |
| C10 | C11 | doub | 1.37Å | 1.37Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
| C12 | O | sing | 1.36Å | 1.36Å | |
| C11 | O1 | sing | 1.36Å | 1.37Å | |
| C23 | O | sing | 1.43Å | 1.43Å | |
| O1 | C24 | sing | 1.43Å | 1.43Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C3 | H36 | sing | 1.09Å | 1.10Å | |
| C3 | H37 | sing | 1.09Å | 1.10Å | |
| C2 | H38 | sing | 1.09Å | 1.10Å | |
| C2 | H39 | sing | 1.09Å | 1.10Å | |
| C1 | H41 | sing | 1.09Å | 1.10Å | |
| C1 | H42 | sing | 1.09Å | 1.10Å | |
| C1 | H43 | sing | 1.09Å | 1.10Å | |
| C | H44 | sing | 1.09Å | 1.10Å | |
| C | H45 | sing | 1.09Å | 1.10Å | |
| C | H46 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | N4 | C20 | 110.2° | 111.0° |
| C22 | N4 | C21 | 109.6° | 111.0° |
| N4 | C22 | H20 | 109.5° | 109.5° |
| N4 | C22 | H21 | 109.5° | 109.5° |
| N4 | C22 | H22 | 109.5° | 109.5° |
| C20 | N4 | C21 | 111.0° | 111.0° |
| N4 | C20 | C19 | 114.2° | 109.5° |
| N4 | C20 | H15 | 108.3° | 109.5° |
| N4 | C20 | H16 | 108.3° | 109.5° |
| N4 | C21 | H17 | 109.5° | 109.4° |
| N4 | C21 | H18 | 109.5° | 109.5° |
| N4 | C21 | H19 | 109.5° | 109.5° |
| C20 | C19 | C18 | 111.5° | 109.4° |
| C19 | C20 | H15 | 108.3° | 109.5° |
| C19 | C20 | H16 | 108.3° | 109.5° |
| C20 | C19 | H33 | 109.0° | 109.5° |
| C20 | C19 | H34 | 109.0° | 109.5° |
| C19 | C18 | C17 | 114.8° | 109.4° |
| C19 | C18 | H31 | 108.1° | 109.4° |
| C19 | C18 | H32 | 108.1° | 109.5° |
| C18 | C19 | H33 | 109.0° | 109.5° |
| C18 | C19 | H34 | 109.0° | 109.5° |
| C1 | N | C | 110.6° | 111.0° |
| C1 | N | C2 | 111.3° | 111.0° |
| N | C1 | H41 | 109.5° | 109.5° |
| N | C1 | H42 | 109.5° | 109.4° |
| N | C1 | H43 | 109.5° | 109.5° |
| C18 | C17 | C16 | 112.1° | 109.4° |
| C18 | C17 | H13 | 108.8° | 109.5° |
| C18 | C17 | H14 | 108.8° | 109.4° |
| C17 | C18 | H31 | 108.1° | 109.5° |
| C17 | C18 | H32 | 108.1° | 109.5° |
| C17 | C16 | N3 | 110.9° | 109.4° |
| C16 | C17 | H13 | 108.8° | 109.5° |
| C16 | C17 | H14 | 108.8° | 109.5° |
| C17 | C16 | H29 | 109.1° | 109.5° |
| C17 | C16 | H30 | 109.1° | 109.4° |
| C | N | C2 | 109.4° | 111.0° |
| N | C | H44 | 109.5° | 109.4° |
| N | C | H45 | 109.5° | 109.5° |
| N | C | H46 | 109.5° | 109.5° |
| N | C2 | C3 | 114.0° | 109.5° |
| N | C2 | H38 | 108.3° | 109.5° |
| N | C2 | H39 | 108.3° | 109.4° |
| C2 | C3 | C4 | 112.5° | 109.4° |
| C2 | C3 | H36 | 108.7° | 109.5° |
| C2 | C3 | H37 | 108.7° | 109.5° |
| C3 | C2 | H38 | 108.3° | 109.5° |
| C3 | C2 | H39 | 108.3° | 109.5° |
| C3 | C4 | C5 | 111.6° | 109.4° |
| C3 | C4 | H3 | 108.9° | 109.5° |
| C3 | C4 | H4 | 108.9° | 109.5° |
| C4 | C3 | H36 | 108.7° | 109.5° |
| C4 | C3 | H37 | 108.7° | 109.4° |
| C16 | N3 | C15 | 126.4° | 120.0° |
| C16 | N3 | H2 | 105.1° | 120.0° |
| N3 | C16 | H29 | 109.1° | 109.5° |
| N3 | C16 | H30 | 109.1° | 109.5° |
| N3 | C15 | N5 | 116.6° | 118.6° |
| N3 | C15 | N2 | 116.6° | 118.6° |
| C15 | N3 | H2 | 105.1° | 120.0° |
| C4 | C5 | C6 | 113.8° | 109.5° |
| C5 | C4 | H3 | 108.9° | 109.5° |
| C5 | C4 | H4 | 108.9° | 109.4° |
| C4 | C5 | H5 | 108.4° | 109.4° |
| C4 | C5 | H6 | 108.4° | 109.5° |
| C5 | C6 | C7 | 111.4° | 109.5° |
| C6 | C5 | H5 | 108.4° | 109.5° |
| C6 | C5 | H6 | 108.4° | 109.5° |
| C5 | C6 | H7 | 109.0° | 109.4° |
| C5 | C6 | H8 | 109.0° | 109.5° |
| C6 | C7 | N1 | 112.4° | 109.4° |
| C7 | C6 | H7 | 109.0° | 109.5° |
| C7 | C6 | H8 | 109.0° | 109.5° |
| C6 | C7 | H9 | 108.7° | 109.5° |
| C6 | C7 | H10 | 108.7° | 109.5° |
| C7 | N1 | C8 | 119.6° | 120.0° |
| C7 | N1 | H1 | 106.9° | 120.1° |
| N1 | C7 | H9 | 108.7° | 109.5° |
| N1 | C7 | H10 | 108.7° | 109.5° |
| C15 | N5 | C8 | 118.6° | 121.5° |
| N5 | C15 | N2 | 126.5° | 122.7° |
| N5 | C8 | N1 | 114.0° | 120.8° |
| N5 | C8 | C9 | 120.8° | 118.4° |
| C15 | N2 | C14 | 115.8° | 120.4° |
| N1 | C8 | C9 | 125.2° | 120.8° |
| C8 | N1 | H1 | 106.9° | 119.9° |
| N2 | C14 | C9 | 122.8° | 118.8° |
| N2 | C14 | C13 | 117.7° | 121.8° |
| C8 | C9 | C14 | 115.5° | 118.2° |
| C8 | C9 | C10 | 125.3° | 121.9° |
| C9 | C14 | C13 | 119.4° | 119.4° |
| C14 | C9 | C10 | 119.2° | 119.9° |
| C14 | C13 | C12 | 120.9° | 119.6° |
| C14 | C13 | H12 | 119.6° | 120.2° |
| C9 | C10 | C11 | 119.7° | 119.7° |
| C9 | C10 | H11 | 120.2° | 120.1° |
| C13 | C12 | C11 | 120.6° | 120.7° |
| C13 | C12 | O | 123.9° | 119.7° |
| C12 | C13 | H12 | 119.6° | 120.2° |
| C10 | C11 | C12 | 120.1° | 120.7° |
| C10 | C11 | O1 | 125.3° | 119.6° |
| C11 | C10 | H11 | 120.2° | 120.2° |
| C11 | C12 | O | 115.5° | 119.6° |
| C12 | C11 | O1 | 114.4° | 119.6° |
| C12 | O | C23 | 117.1° | 117.0° |
| C11 | O1 | C24 | 118.2° | 117.0° |
| O | C23 | H26 | 109.5° | 109.5° |
| O | C23 | H27 | 109.5° | 109.5° |
| O | C23 | H28 | 109.5° | 109.5° |
| O1 | C24 | H23 | 109.5° | 109.5° |
| O1 | C24 | H24 | 109.5° | 109.5° |
| O1 | C24 | H25 | 109.5° | 109.5° |
| H3 | C4 | H4 | 109.5° | 109.5° |
| H5 | C5 | H6 | 109.5° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H9 | C7 | H10 | 109.5° | 109.5° |
| H13 | C17 | H14 | 109.5° | 109.5° |
| H15 | C20 | H16 | 109.5° | 109.4° |
| H17 | C21 | H18 | 109.4° | 109.4° |
| H17 | C21 | H19 | 109.5° | 109.4° |
| H18 | C21 | H19 | 109.5° | 109.5° |
| H20 | C22 | H21 | 109.4° | 109.4° |
| H20 | C22 | H22 | 109.5° | 109.4° |
| H21 | C22 | H22 | 109.5° | 109.5° |
| H23 | C24 | H24 | 109.5° | 109.5° |
| H23 | C24 | H25 | 109.5° | 109.4° |
| H24 | C24 | H25 | 109.4° | 109.5° |
| H26 | C23 | H27 | 109.4° | 109.4° |
| H26 | C23 | H28 | 109.5° | 109.5° |
| H27 | C23 | H28 | 109.5° | 109.5° |
| H29 | C16 | H30 | 109.5° | 109.5° |
| H31 | C18 | H32 | 109.5° | 109.5° |
| H33 | C19 | H34 | 109.5° | 109.5° |
| H36 | C3 | H37 | 109.5° | 109.5° |
| H38 | C2 | H39 | 109.5° | 109.5° |
| H41 | C1 | H42 | 109.5° | 109.5° |
| H41 | C1 | H43 | 109.5° | 109.5° |
| H42 | C1 | H43 | 109.5° | 109.5° |
| H44 | C | H45 | 109.5° | 109.5° |
| H44 | C | H46 | 109.5° | 109.5° |
| H45 | C | H46 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | N4 | C20 | C21 | 121.6° | 124.0° |
| C22 | N4 | C20 | C19 | 151.7° | 66.0° |
| C22 | N4 | C20 | H15 | 31.0° | 173.9° |
| C22 | N4 | C20 | H16 | 87.6° | 54.0° |
| C22 | N4 | C21 | H17 | 180.0° | 56.1° |
| C22 | N4 | C21 | H18 | 60.0° | 176.0° |
| C22 | N4 | C21 | H19 | 60.0° | 63.9° |
| N4 | C22 | H20 | H21 | 120.0° | 120.0° |
| N4 | C22 | H20 | H22 | 120.0° | 120.0° |
| N4 | C22 | H21 | H22 | 120.0° | 120.0° |
| N4 | C20 | C19 | H15 | 120.7° | 120.0° |
| N4 | C20 | C19 | H16 | 120.7° | 120.0° |
| N4 | C20 | C19 | C18 | 147.7° | 180.0° |
| N4 | C20 | H15 | H16 | 117.8° | 120.0° |
| C20 | N4 | C21 | H17 | 58.0° | 180.0° |
| C20 | N4 | C21 | H18 | 61.9° | 60.1° |
| C20 | N4 | C21 | H19 | 178.1° | 60.0° |
| C20 | N4 | C22 | H20 | 180.0° | 60.0° |
| C20 | N4 | C22 | H21 | 60.0° | 180.0° |
| C20 | N4 | C22 | H22 | 60.0° | 60.0° |
| N4 | C20 | C19 | H33 | 27.4° | 60.1° |
| N4 | C20 | C19 | H34 | 92.0° | 60.0° |
| C21 | N4 | C20 | C19 | 86.7° | 170.0° |
| C21 | N4 | C20 | H15 | 152.6° | 50.0° |
| C21 | N4 | C20 | H16 | 34.0° | 70.0° |
| N4 | C21 | H17 | H18 | 120.0° | 120.0° |
| N4 | C21 | H17 | H19 | 120.0° | 120.0° |
| N4 | C21 | H18 | H19 | 120.0° | 120.1° |
| C21 | N4 | C22 | H20 | 57.5° | 176.1° |
| C21 | N4 | C22 | H21 | 62.5° | 56.1° |
| C21 | N4 | C22 | H22 | 177.5° | 63.9° |
| C20 | C19 | C18 | H33 | 120.3° | 120.0° |
| C20 | C19 | C18 | H34 | 120.3° | 120.0° |
| C20 | C19 | C18 | C17 | 147.3° | 180.0° |
| C19 | C20 | H15 | H16 | 117.8° | 120.0° |
| C20 | C19 | C18 | H31 | 26.6° | 60.0° |
| C20 | C19 | C18 | H32 | 91.9° | 60.0° |
| C20 | C19 | H33 | H34 | 119.1° | 120.0° |
| C19 | C18 | C17 | H31 | 120.8° | 119.9° |
| C19 | C18 | C17 | H32 | 120.8° | 120.0° |
| C19 | C18 | C17 | C16 | 163.1° | 180.0° |
| C19 | C18 | C17 | H13 | 42.7° | 60.0° |
| C19 | C18 | C17 | H14 | 76.5° | 60.0° |
| C18 | C19 | C20 | H15 | 91.6° | 60.0° |
| C18 | C19 | C20 | H16 | 27.0° | 60.0° |
| C19 | C18 | H31 | H32 | 117.6° | 120.1° |
| C18 | C19 | H33 | H34 | 119.1° | 120.0° |
| C1 | N | C | C2 | 123.0° | 123.9° |
| C1 | N | C2 | C3 | 48.2° | 66.1° |
| C1 | N | C2 | H38 | 72.5° | 54.0° |
| C1 | N | C2 | H39 | 168.8° | 174.0° |
| N | C1 | H41 | H42 | 120.0° | 120.0° |
| N | C1 | H41 | H43 | 120.0° | 120.0° |
| N | C1 | H42 | H43 | 120.0° | 120.0° |
| C1 | N | C | H44 | 180.0° | 176.1° |
| C1 | N | C | H45 | 60.0° | 56.1° |
| C1 | N | C | H46 | 60.0° | 64.0° |
| C18 | C17 | C16 | H13 | 120.4° | 120.0° |
| C18 | C17 | C16 | H14 | 120.4° | 119.9° |
| C18 | C17 | C16 | N3 | 121.2° | 180.0° |
| C18 | C17 | H13 | H14 | 118.8° | 120.0° |
| C18 | C17 | C16 | H29 | 118.6° | 60.0° |
| C18 | C17 | C16 | H30 | 1.0° | 60.1° |
| C17 | C18 | H31 | H32 | 117.6° | 120.0° |
| C17 | C18 | C19 | H33 | 92.4° | 60.0° |
| C17 | C18 | C19 | H34 | 27.0° | 60.0° |
| C17 | C16 | N3 | H29 | 120.2° | 120.0° |
| C17 | C16 | N3 | H30 | 120.2° | 119.9° |
| C17 | C16 | N3 | C15 | 107.4° | 180.0° |
| C17 | C16 | N3 | H2 | 14.9° | 0.0° |
| C16 | C17 | H13 | H14 | 118.8° | 120.0° |
| C17 | C16 | H29 | H30 | 119.4° | 120.0° |
| C16 | C17 | C18 | H31 | 76.1° | 60.0° |
| C16 | C17 | C18 | H32 | 42.3° | 60.0° |
| C | N | C2 | C3 | 170.7° | 170.0° |
| C | N | C2 | H38 | 50.0° | 70.0° |
| C | N | C2 | H39 | 68.7° | 50.0° |
| C | N | C1 | H41 | 180.0° | 63.9° |
| C | N | C1 | H42 | 60.0° | 56.1° |
| C | N | C1 | H43 | 60.0° | 176.1° |
| N | C | H44 | H45 | 120.0° | 120.0° |
| N | C | H44 | H46 | 120.0° | 120.0° |
| N | C | H45 | H46 | 120.0° | 120.0° |
| N | C2 | C3 | H38 | 120.7° | 120.1° |
| N | C2 | C3 | H39 | 120.6° | 120.0° |
| N | C2 | C3 | C4 | 162.0° | 180.0° |
| N | C2 | C3 | H36 | 41.6° | 60.0° |
| N | C2 | C3 | H37 | 77.6° | 60.0° |
| N | C2 | H38 | H39 | 117.9° | 120.0° |
| C2 | N | C1 | H41 | 58.1° | 60.0° |
| C2 | N | C1 | H42 | 178.1° | 180.0° |
| C2 | N | C1 | H43 | 61.9° | 60.0° |
| C2 | N | C | H44 | 57.1° | 60.0° |
| C2 | N | C | H45 | 63.0° | 180.0° |
| C2 | N | C | H46 | 177.1° | 60.0° |
| C2 | C3 | C4 | H36 | 120.4° | 120.0° |
| C2 | C3 | C4 | H37 | 120.4° | 120.0° |
| C2 | C3 | C4 | C5 | 172.8° | 180.0° |
| C2 | C3 | C4 | H3 | 66.9° | 60.0° |
| C2 | C3 | C4 | H4 | 52.4° | 60.1° |
| C2 | C3 | H36 | H37 | 118.6° | 120.0° |
| C3 | C2 | H38 | H39 | 117.9° | 120.0° |
| C3 | C4 | C5 | H3 | 120.3° | 120.0° |
| C3 | C4 | C5 | H4 | 120.3° | 120.0° |
| C3 | C4 | C5 | C6 | 158.6° | 180.0° |
| C3 | C4 | H3 | H4 | 119.0° | 120.0° |
| C3 | C4 | C5 | H5 | 80.8° | 60.0° |
| C3 | C4 | C5 | H6 | 38.0° | 59.9° |
| C4 | C3 | H36 | H37 | 118.6° | 120.0° |
| C4 | C3 | C2 | H38 | 77.3° | 59.9° |
| C4 | C3 | C2 | H39 | 41.3° | 60.1° |
| C16 | N3 | C15 | H2 | 122.3° | 180.0° |
| C16 | N3 | C15 | N5 | 160.5° | 180.0° |
| C16 | N3 | C15 | N2 | 25.6° | 0.0° |
| N3 | C16 | C17 | H13 | 0.8° | 60.0° |
| N3 | C16 | C17 | H14 | 118.4° | 60.1° |
| N3 | C16 | H29 | H30 | 119.4° | 120.0° |
| N3 | C15 | N5 | N2 | 173.3° | 180.0° |
| N3 | C15 | N5 | C8 | 169.5° | 180.0° |
| N3 | C15 | N2 | C14 | 169.8° | 179.7° |
| C15 | N3 | C16 | H29 | 132.5° | 60.0° |
| C15 | N3 | C16 | H30 | 12.9° | 60.0° |
| C4 | C5 | C6 | H5 | 120.6° | 119.9° |
| C4 | C5 | C6 | H6 | 120.6° | 120.0° |
| C4 | C5 | C6 | C7 | 176.5° | 180.0° |
| C5 | C4 | H3 | H4 | 119.0° | 120.0° |
| C4 | C5 | H5 | H6 | 118.1° | 120.0° |
| C4 | C5 | C6 | H7 | 63.2° | 60.0° |
| C4 | C5 | C6 | H8 | 56.2° | 60.0° |
| C5 | C4 | C3 | H36 | 52.3° | 60.0° |
| C5 | C4 | C3 | H37 | 66.8° | 60.0° |
| C5 | C6 | C7 | H7 | 120.3° | 119.9° |
| C5 | C6 | C7 | H8 | 120.3° | 120.1° |
| C5 | C6 | C7 | N1 | 126.6° | 180.0° |
| C6 | C5 | C4 | H3 | 38.3° | 60.0° |
| C6 | C5 | C4 | H4 | 81.1° | 60.0° |
| C6 | C5 | H5 | H6 | 118.0° | 120.1° |
| C5 | C6 | H7 | H8 | 119.1° | 120.0° |
| C5 | C6 | C7 | H9 | 6.2° | 60.0° |
| C5 | C6 | C7 | H10 | 113.0° | 60.1° |
| C6 | C7 | N1 | H9 | 120.4° | 120.0° |
| C6 | C7 | N1 | H10 | 120.4° | 120.0° |
| C6 | C7 | N1 | C8 | 162.4° | 180.0° |
| C6 | C7 | N1 | H1 | 41.0° | 0.2° |
| C7 | C6 | C5 | H5 | 55.9° | 60.1° |
| C7 | C6 | C5 | H6 | 62.8° | 60.0° |
| C7 | C6 | H7 | H8 | 119.1° | 120.0° |
| C6 | C7 | H9 | H10 | 118.7° | 120.0° |
| C7 | N1 | C8 | N5 | 7.2° | 0.5° |
| C7 | N1 | C8 | H1 | 121.4° | 179.8° |
| C7 | N1 | C8 | C9 | 175.0° | 179.8° |
| N1 | C7 | C6 | H7 | 113.1° | 60.0° |
| N1 | C7 | C6 | H8 | 6.3° | 60.0° |
| N1 | C7 | H9 | H10 | 118.7° | 120.0° |
| C15 | N5 | C8 | N1 | 176.5° | 180.0° |
| N5 | C15 | N2 | C14 | 3.5° | 0.3° |
| C15 | N5 | C8 | C9 | 1.5° | 0.3° |
| N5 | C15 | N3 | H2 | 38.2° | 0.0° |
| C8 | N5 | C15 | N2 | 3.8° | 0.0° |
| N5 | C8 | N1 | C9 | 177.8° | 179.7° |
| N5 | C8 | C9 | C14 | 0.6° | 0.3° |
| N5 | C8 | C9 | C10 | 179.3° | 179.8° |
| N5 | C8 | N1 | H1 | 128.6° | 179.7° |
| C15 | N2 | C14 | C9 | 1.0° | 0.3° |
| C15 | N2 | C14 | C13 | 177.1° | 179.8° |
| N2 | C15 | N3 | H2 | 147.9° | 180.0° |
| N1 | C8 | C9 | C14 | 178.3° | 180.0° |
| N1 | C8 | C9 | C10 | 1.6° | 0.0° |
| C8 | N1 | C7 | H9 | 77.2° | 60.0° |
| C8 | N1 | C7 | H10 | 42.0° | 60.0° |
| N2 | C14 | C9 | C8 | 0.9° | 0.0° |
| N2 | C14 | C9 | C13 | 178.0° | 179.9° |
| N2 | C14 | C9 | C10 | 179.1° | 179.9° |
| N2 | C14 | C13 | C12 | 179.5° | 180.0° |
| N2 | C14 | C13 | H12 | 0.5° | 0.0° |
| C8 | C9 | C14 | C10 | 180.0° | 180.0° |
| C8 | C9 | C14 | C13 | 178.9° | 179.9° |
| C8 | C9 | C10 | C11 | 179.3° | 180.0° |
| C9 | C8 | N1 | H1 | 53.5° | 0.0° |
| C8 | C9 | C10 | H11 | 0.7° | 0.1° |
| C9 | C14 | C13 | C12 | 1.4° | 0.1° |
| C14 | C9 | C10 | C11 | 0.7° | 0.0° |
| C14 | C9 | C10 | H11 | 179.3° | 179.9° |
| C9 | C14 | C13 | H12 | 178.6° | 180.0° |
| C13 | C14 | C9 | C10 | 1.1° | 0.0° |
| C14 | C13 | C12 | H12 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.0° | 0.0° |
| C14 | C13 | C12 | O | 180.0° | 180.0° |
| C9 | C10 | C11 | H11 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 2.2° | 0.1° |
| C9 | C10 | C11 | O1 | 173.1° | 180.0° |
| C13 | C12 | C11 | C10 | 1.9° | 0.0° |
| C13 | C12 | C11 | O | 179.9° | 180.0° |
| C13 | C12 | C11 | O1 | 173.9° | 180.0° |
| C13 | C12 | O | C23 | 12.2° | 0.0° |
| C10 | C11 | C12 | O1 | 175.8° | 180.0° |
| C10 | C11 | C12 | O | 178.2° | 180.0° |
| C10 | C11 | O1 | C24 | 34.7° | 0.0° |
| C11 | C12 | O | C23 | 167.7° | 180.0° |
| C12 | C11 | O1 | C24 | 149.8° | 180.0° |
| C12 | C11 | C10 | H11 | 177.9° | 180.0° |
| C11 | C12 | C13 | H12 | 179.9° | 180.0° |
| O | C12 | C11 | O1 | 6.0° | 0.0° |
| O | C12 | C13 | H12 | 0.0° | 0.0° |
| C12 | O | C23 | H26 | 180.0° | 60.0° |
| C12 | O | C23 | H27 | 60.0° | 60.0° |
| C12 | O | C23 | H28 | 60.0° | 180.0° |
| O1 | C11 | C10 | H11 | 6.9° | 0.1° |
| C11 | O1 | C24 | H23 | 180.0° | 180.0° |
| C11 | O1 | C24 | H24 | 60.0° | 60.0° |
| C11 | O1 | C24 | H25 | 60.0° | 60.1° |
| O | C23 | H26 | H27 | 120.0° | 120.0° |
| O | C23 | H26 | H28 | 120.0° | 120.1° |
| O | C23 | H27 | H28 | 120.0° | 120.1° |
| O1 | C24 | H23 | H24 | 120.0° | 120.1° |
| O1 | C24 | H23 | H25 | 120.0° | 120.0° |
| O1 | C24 | H24 | H25 | 120.0° | 120.0° |
| H1 | N1 | C7 | H9 | 161.4° | 119.7° |
| H1 | N1 | C7 | H10 | 79.4° | 120.2° |
| H2 | N3 | C16 | H29 | 105.3° | 120.0° |
| H2 | N3 | C16 | H30 | 135.1° | 119.9° |
| H3 | C4 | C5 | H5 | 158.9° | 60.0° |
| H3 | C4 | C5 | H6 | 82.4° | 180.0° |
| H3 | C4 | C3 | H36 | 172.7° | 180.0° |
| H3 | C4 | C3 | H37 | 53.5° | 60.0° |
| H4 | C4 | C5 | H5 | 39.5° | 180.0° |
| H4 | C4 | C5 | H6 | 158.3° | 60.0° |
| H4 | C4 | C3 | H36 | 68.0° | 59.9° |
| H4 | C4 | C3 | H37 | 172.9° | 180.0° |
| H5 | C5 | C6 | H7 | 176.2° | 180.0° |
| H5 | C5 | C6 | H8 | 64.4° | 60.0° |
| H6 | C5 | C6 | H7 | 57.5° | 60.0° |
| H6 | C5 | C6 | H8 | 176.9° | NaN° |
| H7 | C6 | C7 | H9 | 126.5° | 60.0° |
| H7 | C6 | C7 | H10 | 7.3° | 180.0° |
| H8 | C6 | C7 | H9 | 114.1° | 180.0° |
| H8 | C6 | C7 | H10 | 126.7° | 60.0° |
| H13 | C17 | C16 | H29 | 121.0° | 180.0° |
| H13 | C17 | C16 | H30 | 119.4° | 60.0° |
| H13 | C17 | C18 | H31 | 163.5° | 179.9° |
| H13 | C17 | C18 | H32 | 78.1° | 60.0° |
| H14 | C17 | C16 | H29 | 1.8° | 59.9° |
| H14 | C17 | C16 | H30 | 121.4° | 180.0° |
| H14 | C17 | C18 | H31 | 44.3° | 59.9° |
| H14 | C17 | C18 | H32 | 162.7° | 180.0° |
| H15 | C20 | C19 | H33 | 148.1° | 60.0° |
| H15 | C20 | C19 | H34 | 28.7° | 180.0° |
| H16 | C20 | C19 | H33 | 93.3° | 180.0° |
| H16 | C20 | C19 | H34 | 147.3° | 60.0° |
| H17 | C21 | H18 | H19 | 120.0° | 119.9° |
| H20 | C22 | H21 | H22 | 120.0° | 119.9° |
| H23 | C24 | H24 | H25 | 120.0° | 120.0° |
| H26 | C23 | H27 | H28 | 120.0° | 119.9° |
| H31 | C18 | C19 | H33 | 146.8° | 59.9° |
| H31 | C18 | C19 | H34 | 93.8° | 180.0° |
| H32 | C18 | C19 | H33 | 28.4° | 180.0° |
| H32 | C18 | C19 | H34 | 147.8° | 60.0° |
| H36 | C3 | C2 | H38 | 162.2° | 180.0° |
| H36 | C3 | C2 | H39 | 79.1° | 60.0° |
| H37 | C3 | C2 | H38 | 43.1° | 60.0° |
| H37 | C3 | C2 | H39 | 161.8° | 180.0° |
| H41 | C1 | H42 | H43 | 120.0° | 120.0° |
| H44 | C | H45 | H46 | 120.0° | 120.0° |
