QOH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C40 | sing | 1.53Å | 1.51Å | |
| C10 | C9 | sing | 1.53Å | 1.50Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C8 | C7 | sing | 1.53Å | 1.50Å | |
| C6 | C7 | sing | 1.53Å | 1.49Å | |
| C6 | C5 | sing | 1.53Å | 1.50Å | |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C1 | C12 | sing | 1.51Å | 1.49Å | |
| C3 | C2 | sing | 1.53Å | 1.49Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| O35 | C34 | sing | 1.43Å | 1.38Å | |
| C12 | N13 | sing | 1.35Å | 1.31Å | |
| C12 | O37 | doub | 1.21Å | 1.21Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| N13 | C14 | sing | 1.47Å | 1.44Å | |
| C34 | C14 | sing | 1.53Å | 1.48Å | |
| C34 | C36 | sing | 1.53Å | 1.49Å | |
| C14 | C15 | sing | 1.51Å | 1.49Å | |
| C15 | O33 | doub | 1.21Å | 1.21Å | |
| C15 | N16 | sing | 1.35Å | 1.31Å | |
| N16 | C17 | sing | 1.47Å | 1.44Å | |
| C17 | C18 | sing | 1.53Å | 1.49Å | |
| C17 | C31 | sing | 1.51Å | 1.35Å | |
| O20 | C19 | sing | 1.43Å | 1.38Å | |
| C18 | C19 | sing | 1.53Å | 1.47Å | |
| O32 | C31 | doub | 1.21Å | 1.21Å | |
| C31 | N30 | sing | 1.37Å | 1.37Å | |
| C19 | C21 | sing | 1.53Å | 1.45Å | |
| C21 | C22 | sing | 1.53Å | 1.46Å | |
| N30 | C28 | sing | 1.49Å | 1.45Å | |
| C22 | N23 | sing | 1.48Å | 1.43Å | |
| N23 | C24 | sing | 1.37Å | 1.35Å | |
| C28 | C29 | sing | 1.53Å | 1.50Å | |
| C28 | C27 | sing | 1.53Å | 1.50Å | |
| C26 | C24 | sing | 1.51Å | 1.35Å | |
| C26 | C27 | sing | 1.53Å | 1.48Å | |
| C24 | O25 | doub | 1.21Å | 1.21Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| N30 | H25 | sing | 0.97Å | 1.00Å | |
| N23 | H26 | sing | 0.97Å | 1.00Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| O20 | H28 | sing | 0.97Å | 0.95Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| N16 | H31 | sing | 0.97Å | 1.00Å | |
| C14 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H34 | sing | 1.09Å | 1.10Å | |
| C36 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| O35 | H37 | sing | 0.97Å | 0.95Å | |
| N13 | H38 | sing | 0.97Å | 1.00Å | |
| C1 | H39 | sing | 1.09Å | 1.10Å | |
| C1 | H40 | sing | 1.09Å | 1.10Å | |
| C2 | H41 | sing | 1.09Å | 1.10Å | |
| C2 | H42 | sing | 1.09Å | 1.10Å | |
| C3 | H43 | sing | 1.09Å | 1.10Å | |
| C3 | H44 | sing | 1.09Å | 1.10Å | |
| C9 | H45 | sing | 1.09Å | 1.10Å | |
| C9 | H46 | sing | 1.09Å | 1.10Å | |
| C11 | H47 | sing | 1.09Å | 1.10Å | |
| C11 | H48 | sing | 1.09Å | 1.10Å | |
| C11 | H49 | sing | 1.09Å | 1.10Å | |
| C40 | H50 | sing | 1.09Å | 1.10Å | |
| C40 | H51 | sing | 1.09Å | 1.10Å | |
| C40 | H52 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C40 | 109.3° | 109.5° |
| C11 | C10 | C9 | 109.9° | 109.5° |
| C11 | C10 | H11 | 110.1° | 109.5° |
| C10 | C11 | H47 | 109.5° | 109.5° |
| C10 | C11 | H48 | 109.5° | 109.5° |
| C10 | C11 | H49 | 109.5° | 109.4° |
| C40 | C10 | C9 | 107.0° | 109.5° |
| C40 | C10 | H11 | 110.1° | 109.5° |
| C10 | C40 | H50 | 109.5° | 109.4° |
| C10 | C40 | H51 | 109.4° | 109.5° |
| C10 | C40 | H52 | 109.5° | 109.5° |
| C10 | C9 | C8 | 111.9° | 109.5° |
| C9 | C10 | H11 | 110.3° | 109.4° |
| C10 | C9 | H45 | 108.9° | 109.5° |
| C10 | C9 | H46 | 108.8° | 109.5° |
| C9 | C8 | C7 | 106.5° | 109.5° |
| C9 | C8 | H9 | 110.2° | 109.5° |
| C9 | C8 | H10 | 110.2° | 109.5° |
| C8 | C9 | H45 | 108.8° | 109.5° |
| C8 | C9 | H46 | 108.9° | 109.4° |
| C8 | C7 | C6 | 108.7° | 109.5° |
| C8 | C7 | H7 | 109.7° | 109.5° |
| C8 | C7 | H8 | 109.7° | 109.5° |
| C7 | C8 | H9 | 110.2° | 109.5° |
| C7 | C8 | H10 | 110.2° | 109.4° |
| C7 | C6 | C5 | 108.2° | 109.5° |
| C7 | C6 | H5 | 109.8° | 109.5° |
| C7 | C6 | H6 | 109.8° | 109.5° |
| C6 | C7 | H7 | 109.7° | 109.5° |
| C6 | C7 | H8 | 109.7° | 109.4° |
| C6 | C5 | C4 | 110.1° | 109.5° |
| C6 | C5 | H3 | 109.3° | 109.5° |
| C6 | C5 | H4 | 109.4° | 109.5° |
| C5 | C6 | H5 | 109.8° | 109.5° |
| C5 | C6 | H6 | 109.8° | 109.5° |
| C2 | C1 | C12 | 103.6° | 109.5° |
| C1 | C2 | C3 | 110.1° | 109.5° |
| C2 | C1 | H39 | 110.9° | 109.5° |
| C2 | C1 | H40 | 110.9° | 109.5° |
| C1 | C2 | H41 | 109.3° | 109.5° |
| C1 | C2 | H42 | 109.3° | 109.5° |
| C1 | C12 | N13 | 116.0° | 120.0° |
| C1 | C12 | O37 | 119.7° | 120.0° |
| C12 | C1 | H39 | 110.9° | 109.5° |
| C12 | C1 | H40 | 110.9° | 109.4° |
| C2 | C3 | C4 | 107.7° | 109.5° |
| C3 | C2 | H41 | 109.3° | 109.4° |
| C3 | C2 | H42 | 109.3° | 109.5° |
| C2 | C3 | H43 | 109.9° | 109.5° |
| C2 | C3 | H44 | 109.9° | 109.4° |
| C3 | C4 | C5 | 109.9° | 109.5° |
| C3 | C4 | H1 | 109.4° | 109.5° |
| C3 | C4 | H2 | 109.4° | 109.5° |
| C4 | C3 | H43 | 109.9° | 109.5° |
| C4 | C3 | H44 | 109.9° | 109.5° |
| O35 | C34 | C14 | 105.0° | 109.5° |
| O35 | C34 | C36 | 106.8° | 109.5° |
| O35 | C34 | H33 | 112.5° | 109.4° |
| C34 | O35 | H37 | 109.5° | 114.0° |
| N13 | C12 | O37 | 124.2° | 120.1° |
| C12 | N13 | C14 | 123.3° | 120.0° |
| C12 | N13 | H38 | 118.4° | 120.0° |
| C5 | C4 | H1 | 109.3° | 109.5° |
| C5 | C4 | H2 | 109.4° | 109.4° |
| C4 | C5 | H3 | 109.4° | 109.4° |
| C4 | C5 | H4 | 109.3° | 109.5° |
| N13 | C14 | C34 | 103.5° | 109.5° |
| N13 | C14 | C15 | 107.5° | 109.5° |
| N13 | C14 | H32 | 112.5° | 109.5° |
| C14 | N13 | H38 | 118.3° | 120.1° |
| C14 | C34 | C36 | 110.5° | 109.5° |
| C34 | C14 | C15 | 109.7° | 109.5° |
| C34 | C14 | H32 | 111.8° | 109.5° |
| C14 | C34 | H33 | 111.0° | 109.5° |
| C36 | C34 | H33 | 110.8° | 109.5° |
| C34 | C36 | H34 | 109.5° | 109.5° |
| C34 | C36 | H35 | 109.4° | 109.5° |
| C34 | C36 | H36 | 109.5° | 109.4° |
| C14 | C15 | O33 | 120.2° | 120.0° |
| C14 | C15 | N16 | 116.3° | 120.0° |
| C15 | C14 | H32 | 111.6° | 109.4° |
| O33 | C15 | N16 | 123.5° | 120.0° |
| C15 | N16 | C17 | 121.4° | 120.0° |
| C15 | N16 | H31 | 119.3° | 120.0° |
| N16 | C17 | C18 | 107.2° | 109.5° |
| N16 | C17 | C31 | 106.0° | 109.5° |
| N16 | C17 | H12 | 111.4° | 109.5° |
| C17 | N16 | H31 | 119.3° | 120.0° |
| C18 | C17 | C31 | 108.5° | 109.4° |
| C17 | C18 | C19 | 110.1° | 109.4° |
| C18 | C17 | H12 | 110.6° | 109.5° |
| C17 | C18 | H29 | 109.3° | 109.4° |
| C17 | C18 | H30 | 109.3° | 109.4° |
| C17 | C31 | O32 | 119.3° | 120.9° |
| C17 | C31 | N30 | 121.3° | 118.2° |
| C31 | C17 | H12 | 112.9° | 109.5° |
| O20 | C19 | C18 | 108.0° | 109.5° |
| O20 | C19 | C21 | 106.4° | 109.5° |
| O20 | C19 | H27 | 111.9° | 109.5° |
| C19 | O20 | H28 | 109.5° | 114.0° |
| C18 | C19 | C21 | 109.1° | 109.5° |
| C18 | C19 | H27 | 110.5° | 109.5° |
| C19 | C18 | H29 | 109.3° | 109.5° |
| C19 | C18 | H30 | 109.3° | 109.6° |
| O32 | C31 | N30 | 119.3° | 120.9° |
| C31 | N30 | C28 | 120.3° | 113.3° |
| C31 | N30 | H25 | 119.8° | 123.4° |
| C19 | C21 | C22 | 109.5° | 109.5° |
| C19 | C21 | H13 | 109.5° | 109.5° |
| C19 | C21 | H14 | 109.4° | 109.5° |
| C21 | C19 | H27 | 110.8° | 109.5° |
| C21 | C22 | N23 | 106.7° | 108.6° |
| C22 | C21 | H13 | 109.5° | 109.5° |
| C22 | C21 | H14 | 109.5° | 109.5° |
| C21 | C22 | H15 | 110.2° | 109.6° |
| C21 | C22 | H16 | 110.1° | 109.6° |
| N30 | C28 | C29 | 110.6° | 109.7° |
| N30 | C28 | C27 | 111.1° | 108.2° |
| N30 | C28 | H19 | 109.4° | 109.7° |
| C28 | N30 | H25 | 119.9° | 123.3° |
| C22 | N23 | C24 | 120.4° | 115.2° |
| N23 | C22 | H15 | 110.2° | 109.6° |
| N23 | C22 | H16 | 110.2° | 109.6° |
| C22 | N23 | H26 | 119.8° | 122.4° |
| N23 | C24 | C26 | 116.7° | 118.7° |
| N23 | C24 | O25 | 120.9° | 120.7° |
| C24 | N23 | H26 | 119.8° | 122.4° |
| C29 | C28 | C27 | 108.2° | 109.7° |
| C29 | C28 | H19 | 108.7° | 109.7° |
| C28 | C29 | H22 | 109.5° | 109.5° |
| C28 | C29 | H23 | 109.5° | 109.5° |
| C28 | C29 | H24 | 109.5° | 109.4° |
| C28 | C27 | C26 | 109.8° | 109.5° |
| C27 | C28 | H19 | 108.7° | 109.7° |
| C28 | C27 | H20 | 109.4° | 109.4° |
| C28 | C27 | H21 | 109.4° | 109.4° |
| C24 | C26 | C27 | 113.3° | 109.5° |
| C26 | C24 | O25 | 122.3° | 120.7° |
| C24 | C26 | H17 | 108.5° | 109.5° |
| C24 | C26 | H18 | 108.5° | 109.5° |
| C27 | C26 | H17 | 108.5° | 109.4° |
| C27 | C26 | H18 | 108.5° | 109.5° |
| C26 | C27 | H20 | 109.4° | 109.5° |
| C26 | C27 | H21 | 109.4° | 109.5° |
| H1 | C4 | H2 | 109.4° | 109.5° |
| H3 | C5 | H4 | 109.4° | 109.4° |
| H5 | C6 | H6 | 109.4° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H9 | C8 | H10 | 109.5° | 109.5° |
| H13 | C21 | H14 | 109.5° | 109.5° |
| H15 | C22 | H16 | 109.5° | 109.8° |
| H17 | C26 | H18 | 109.5° | 109.5° |
| H20 | C27 | H21 | 109.5° | 109.5° |
| H22 | C29 | H23 | 109.5° | 109.5° |
| H22 | C29 | H24 | 109.4° | 109.5° |
| H23 | C29 | H24 | 109.5° | 109.4° |
| H29 | C18 | H30 | 109.5° | 109.5° |
| H34 | C36 | H35 | 109.5° | 109.5° |
| H34 | C36 | H36 | 109.5° | 109.4° |
| H35 | C36 | H36 | 109.5° | 109.5° |
| H39 | C1 | H40 | 109.5° | 109.4° |
| H41 | C2 | H42 | 109.4° | 109.4° |
| H43 | C3 | H44 | 109.5° | 109.4° |
| H45 | C9 | H46 | 109.5° | 109.5° |
| H47 | C11 | H48 | 109.5° | 109.5° |
| H47 | C11 | H49 | 109.5° | 109.4° |
| H48 | C11 | H49 | 109.5° | 109.5° |
| H50 | C40 | H51 | 109.5° | 109.5° |
| H50 | C40 | H52 | 109.5° | 109.5° |
| H51 | C40 | H52 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C40 | C9 | 119.0° | 120.0° |
| C11 | C10 | C40 | H11 | 121.1° | 120.0° |
| C11 | C10 | C9 | H11 | 121.6° | 119.9° |
| C11 | C10 | C9 | C8 | 51.2° | 175.0° |
| C11 | C10 | C9 | H45 | 69.2° | 55.0° |
| C11 | C10 | C9 | H46 | 171.6° | 65.1° |
| C10 | C11 | H47 | H48 | 120.0° | 120.1° |
| C10 | C11 | H47 | H49 | 120.0° | 119.9° |
| C10 | C11 | H48 | H49 | 120.0° | 120.0° |
| C11 | C10 | C40 | H50 | 180.0° | 60.0° |
| C11 | C10 | C40 | H51 | 60.0° | 180.0° |
| C11 | C10 | C40 | H52 | 60.0° | 59.9° |
| C40 | C10 | C9 | H11 | 119.8° | 120.0° |
| C40 | C10 | C9 | C8 | 169.8° | 65.0° |
| C40 | C10 | C9 | H45 | 49.4° | 175.0° |
| C40 | C10 | C9 | H46 | 69.8° | 55.0° |
| C40 | C10 | C11 | H47 | 180.0° | 59.9° |
| C40 | C10 | C11 | H48 | 60.0° | 180.0° |
| C40 | C10 | C11 | H49 | 60.0° | 60.0° |
| C10 | C40 | H50 | H51 | 120.0° | 119.9° |
| C10 | C40 | H50 | H52 | 120.0° | 120.0° |
| C10 | C40 | H51 | H52 | 120.0° | 120.0° |
| C10 | C9 | C8 | H45 | 120.4° | 120.0° |
| C10 | C9 | C8 | H46 | 120.4° | 120.0° |
| C10 | C9 | C8 | C7 | 164.5° | 180.0° |
| C10 | C9 | C8 | H9 | 45.0° | 60.0° |
| C10 | C9 | C8 | H10 | 75.9° | 60.0° |
| C10 | C9 | H45 | H46 | 118.9° | 120.0° |
| C9 | C10 | C11 | H47 | 62.8° | 180.0° |
| C9 | C10 | C11 | H48 | 177.2° | 59.9° |
| C9 | C10 | C11 | H49 | 57.2° | 60.1° |
| C9 | C10 | C40 | H50 | 61.0° | 60.0° |
| C9 | C10 | C40 | H51 | 59.0° | 59.9° |
| C9 | C10 | C40 | H52 | 179.0° | 180.0° |
| C9 | C8 | C7 | H9 | 119.5° | 120.0° |
| C9 | C8 | C7 | H10 | 119.6° | 120.0° |
| C9 | C8 | C7 | C6 | 175.3° | 180.0° |
| C9 | C8 | C7 | H7 | 55.5° | 60.0° |
| C9 | C8 | C7 | H8 | 64.8° | 60.1° |
| C9 | C8 | H9 | H10 | 121.4° | 120.0° |
| C8 | C9 | C10 | H11 | 70.4° | 55.0° |
| C8 | C9 | H45 | H46 | 118.9° | 119.9° |
| C8 | C7 | C6 | H7 | 119.9° | 120.0° |
| C8 | C7 | C6 | H8 | 119.9° | 120.0° |
| C8 | C7 | C6 | C5 | 110.7° | 180.0° |
| C8 | C7 | C6 | H5 | 9.1° | 60.0° |
| C8 | C7 | C6 | H6 | 129.5° | 60.0° |
| C8 | C7 | H7 | H8 | 120.4° | 120.0° |
| C7 | C8 | H9 | H10 | 121.4° | 120.0° |
| C7 | C8 | C9 | H45 | 75.1° | 60.0° |
| C7 | C8 | C9 | H46 | 44.2° | 60.0° |
| C7 | C6 | C5 | H5 | 119.8° | 120.0° |
| C7 | C6 | C5 | H6 | 119.8° | 120.0° |
| C7 | C6 | C5 | C4 | 125.7° | 180.0° |
| C7 | C6 | C5 | H3 | 5.6° | 60.0° |
| C7 | C6 | C5 | H4 | 114.2° | 60.0° |
| C7 | C6 | H5 | H6 | 120.6° | 120.0° |
| C6 | C7 | H7 | H8 | 120.4° | 119.9° |
| C6 | C7 | C8 | H9 | 65.1° | 60.0° |
| C6 | C7 | C8 | H10 | 55.8° | 60.0° |
| C6 | C5 | C4 | C3 | 55.1° | 180.0° |
| C6 | C5 | C4 | H3 | 120.1° | 120.0° |
| C6 | C5 | C4 | H4 | 120.1° | 120.1° |
| C6 | C5 | C4 | H1 | 175.2° | 60.0° |
| C6 | C5 | C4 | H2 | 65.0° | 60.0° |
| C6 | C5 | H3 | H4 | 119.7° | 120.0° |
| C5 | C6 | H5 | H6 | 120.6° | 120.0° |
| C5 | C6 | C7 | H7 | 129.5° | 60.0° |
| C5 | C6 | C7 | H8 | 9.2° | 60.0° |
| C2 | C1 | C12 | H39 | 119.0° | 120.0° |
| C2 | C1 | C12 | H40 | 119.1° | 120.1° |
| C1 | C2 | C3 | H41 | 120.1° | 120.0° |
| C1 | C2 | C3 | H42 | 120.1° | 120.1° |
| C1 | C2 | C3 | C4 | 159.2° | 180.0° |
| C2 | C1 | C12 | N13 | 126.0° | 180.0° |
| C2 | C1 | C12 | O37 | 52.3° | 0.0° |
| C2 | C1 | H39 | H40 | 122.8° | 120.0° |
| C1 | C2 | H41 | H42 | 119.7° | 120.0° |
| C1 | C2 | C3 | H43 | 39.4° | 59.9° |
| C1 | C2 | C3 | H44 | 81.1° | 60.0° |
| C12 | C1 | C2 | C3 | 149.9° | 180.0° |
| C1 | C12 | N13 | O37 | 178.2° | 180.0° |
| C1 | C12 | N13 | C14 | 178.6° | 180.0° |
| C1 | C12 | N13 | H38 | 1.4° | 0.0° |
| C12 | C1 | H39 | H40 | 122.7° | 119.9° |
| C12 | C1 | C2 | H41 | 90.0° | 60.0° |
| C12 | C1 | C2 | H42 | 29.8° | 59.9° |
| C2 | C3 | C4 | H43 | 119.7° | 120.0° |
| C2 | C3 | C4 | H44 | 119.7° | 120.0° |
| C2 | C3 | C4 | C5 | 120.6° | 180.0° |
| C2 | C3 | C4 | H1 | 0.6° | 60.0° |
| C2 | C3 | C4 | H2 | 119.3° | 60.0° |
| C3 | C2 | C1 | H39 | 91.0° | 60.0° |
| C3 | C2 | C1 | H40 | 30.9° | 60.0° |
| C3 | C2 | H41 | H42 | 119.7° | 120.0° |
| C2 | C3 | H43 | H44 | 120.8° | 119.9° |
| C3 | C4 | C5 | H1 | 120.1° | 120.0° |
| C3 | C4 | C5 | H2 | 120.1° | 120.0° |
| C3 | C4 | H1 | H2 | 119.8° | 120.0° |
| C3 | C4 | C5 | H3 | 175.2° | 60.0° |
| C3 | C4 | C5 | H4 | 65.0° | 59.9° |
| C4 | C3 | C2 | H41 | 80.7° | 60.0° |
| C4 | C3 | C2 | H42 | 39.1° | 59.9° |
| C4 | C3 | H43 | H44 | 120.8° | 120.0° |
| O35 | C34 | C14 | N13 | 56.9° | 65.0° |
| O35 | C34 | C14 | C36 | 114.8° | 120.0° |
| O35 | C34 | C14 | H33 | 121.9° | 119.9° |
| O35 | C34 | C36 | H33 | 122.9° | 119.9° |
| O35 | C34 | C14 | C15 | 171.3° | 55.0° |
| O35 | C34 | C14 | H32 | 64.3° | 175.0° |
| O35 | C34 | C36 | H34 | 180.0° | 60.1° |
| O35 | C34 | C36 | H35 | 60.0° | 60.0° |
| O35 | C34 | C36 | H36 | 60.0° | 180.0° |
| C12 | N13 | C14 | H38 | 180.0° | 180.0° |
| C12 | N13 | C14 | C34 | 175.8° | 85.0° |
| C12 | N13 | C14 | C15 | 68.3° | 155.0° |
| C12 | N13 | C14 | H32 | 55.0° | 35.1° |
| N13 | C12 | C1 | H39 | 115.0° | 60.0° |
| N13 | C12 | C1 | H40 | 6.9° | 59.9° |
| O37 | C12 | N13 | C14 | 0.5° | 0.0° |
| O37 | C12 | N13 | H38 | 179.5° | 180.0° |
| O37 | C12 | C1 | H39 | 66.8° | 120.0° |
| O37 | C12 | C1 | H40 | 171.3° | 120.0° |
| C5 | C4 | H1 | H2 | 119.8° | 120.0° |
| C4 | C5 | H3 | H4 | 119.7° | 119.9° |
| C4 | C5 | C6 | H5 | 114.5° | 60.0° |
| C4 | C5 | C6 | H6 | 5.9° | 60.0° |
| C5 | C4 | C3 | H43 | 119.7° | 60.0° |
| C5 | C4 | C3 | H44 | 0.9° | 60.0° |
| N13 | C14 | C34 | C15 | 114.4° | 120.0° |
| N13 | C14 | C34 | H32 | 121.3° | 120.0° |
| N13 | C14 | C34 | C36 | 171.7° | 55.0° |
| N13 | C14 | C15 | H32 | 123.7° | 120.0° |
| N13 | C14 | C15 | O33 | 41.0° | 0.0° |
| N13 | C14 | C15 | N16 | 138.6° | 180.0° |
| N13 | C14 | C34 | H33 | 64.9° | 175.1° |
| C14 | C34 | C36 | H33 | 123.5° | 120.1° |
| C34 | C14 | C15 | H32 | 124.4° | 120.0° |
| C34 | C14 | C15 | O33 | 70.8° | 120.0° |
| C34 | C14 | C15 | N16 | 109.5° | 60.0° |
| C14 | C34 | C36 | H34 | 66.3° | 59.9° |
| C14 | C34 | C36 | H35 | 53.7° | 180.0° |
| C14 | C34 | C36 | H36 | 173.7° | 60.0° |
| C14 | C34 | O35 | H37 | 180.0° | 60.0° |
| C34 | C14 | N13 | H38 | 4.2° | 95.0° |
| C36 | C34 | C14 | C15 | 73.9° | 175.0° |
| C36 | C34 | C14 | H32 | 50.5° | 65.1° |
| C34 | C36 | H34 | H35 | 120.0° | 120.0° |
| C34 | C36 | H34 | H36 | 120.0° | 120.0° |
| C34 | C36 | H35 | H36 | 120.0° | 119.9° |
| C36 | C34 | O35 | H37 | 62.7° | 60.0° |
| C14 | C15 | O33 | N16 | 179.6° | 180.0° |
| C14 | C15 | N16 | C17 | 179.7° | 180.0° |
| C14 | C15 | N16 | H31 | 0.3° | 0.0° |
| C15 | C14 | C34 | H33 | 49.5° | 64.9° |
| C15 | C14 | N13 | H38 | 111.7° | 25.0° |
| O33 | C15 | N16 | C17 | 0.0° | 0.0° |
| O33 | C15 | N16 | H31 | 180.0° | 179.9° |
| O33 | C15 | C14 | H32 | 164.8° | 120.0° |
| C15 | N16 | C17 | H31 | 180.0° | 180.0° |
| C15 | N16 | C17 | C18 | 124.2° | 155.0° |
| C15 | N16 | C17 | C31 | 120.1° | 85.0° |
| C15 | N16 | C17 | H12 | 3.0° | 35.0° |
| N16 | C15 | C14 | H32 | 14.9° | 60.0° |
| N16 | C17 | C18 | C31 | 114.0° | 120.0° |
| N16 | C17 | C18 | H12 | 121.6° | 120.0° |
| N16 | C17 | C31 | H12 | 122.2° | 120.1° |
| N16 | C17 | C18 | C19 | 140.4° | 162.2° |
| N16 | C17 | C31 | O32 | 14.5° | 63.3° |
| N16 | C17 | C31 | N30 | 165.3° | 116.7° |
| N16 | C17 | C18 | H29 | 20.2° | 42.2° |
| N16 | C17 | C18 | H30 | 99.5° | 77.8° |
| C18 | C17 | C31 | H12 | 123.0° | 120.0° |
| C17 | C18 | C19 | O20 | 82.6° | 104.2° |
| C17 | C18 | C19 | H29 | 120.1° | 119.9° |
| C17 | C18 | C19 | H30 | 120.1° | 120.0° |
| C18 | C17 | C31 | O32 | 100.3° | 56.7° |
| C18 | C17 | C31 | N30 | 79.8° | 123.3° |
| C17 | C18 | C19 | C21 | 162.1° | 135.9° |
| C17 | C18 | C19 | H27 | 40.0° | 15.9° |
| C17 | C18 | H29 | H30 | 119.7° | 119.9° |
| C18 | C17 | N16 | H31 | 55.8° | 25.0° |
| C31 | C17 | C18 | C19 | 105.6° | 77.9° |
| C17 | C31 | O32 | N30 | 179.9° | 180.0° |
| C17 | C31 | N30 | C28 | 178.9° | 179.5° |
| C17 | C31 | N30 | H25 | 1.1° | 0.5° |
| C31 | C17 | C18 | H29 | 134.3° | 162.2° |
| C31 | C17 | C18 | H30 | 14.5° | 42.2° |
| C31 | C17 | N16 | H31 | 59.9° | 95.0° |
| O20 | C19 | C18 | C21 | 115.3° | 120.0° |
| O20 | C19 | C18 | H27 | 122.7° | 120.0° |
| O20 | C19 | C21 | H27 | 121.9° | 120.0° |
| O20 | C19 | C21 | C22 | 141.2° | 89.5° |
| O20 | C19 | C21 | H13 | 21.1° | 150.5° |
| O20 | C19 | C21 | H14 | 98.8° | 30.5° |
| O20 | C19 | C18 | H29 | 37.5° | 15.8° |
| O20 | C19 | C18 | H30 | 157.3° | 135.8° |
| C18 | C19 | C21 | H27 | 121.8° | 120.0° |
| C18 | C19 | C21 | C22 | 102.6° | 150.5° |
| C19 | C18 | C17 | H12 | 18.7° | 42.2° |
| C18 | C19 | C21 | H13 | 137.4° | 30.5° |
| C18 | C19 | C21 | H14 | 17.4° | 89.5° |
| C18 | C19 | O20 | H28 | 180.0° | 180.0° |
| C19 | C18 | H29 | H30 | 119.7° | 120.1° |
| O32 | C31 | N30 | C28 | 1.2° | 0.4° |
| O32 | C31 | C17 | H12 | 136.7° | 176.6° |
| O32 | C31 | N30 | H25 | 178.8° | 179.5° |
| C31 | N30 | C28 | H25 | 180.0° | 179.9° |
| C31 | N30 | C28 | C29 | 102.7° | 121.2° |
| C31 | N30 | C28 | C27 | 137.0° | 119.1° |
| N30 | C31 | C17 | H12 | 43.2° | 3.3° |
| C31 | N30 | C28 | H19 | 17.0° | 0.6° |
| C19 | C21 | C22 | H13 | 120.0° | 120.0° |
| C19 | C21 | C22 | H14 | 120.0° | 120.0° |
| C19 | C21 | C22 | N23 | 60.6° | 92.8° |
| C19 | C21 | H13 | H14 | 119.9° | 120.0° |
| C19 | C21 | C22 | H15 | 59.0° | 26.9° |
| C19 | C21 | C22 | H16 | 179.9° | 147.5° |
| C21 | C19 | O20 | H28 | 63.0° | 60.0° |
| C21 | C19 | C18 | H29 | 77.8° | 104.2° |
| C21 | C19 | C18 | H30 | 42.0° | 15.9° |
| C21 | C22 | N23 | H15 | 119.6° | 119.7° |
| C21 | C22 | N23 | H16 | 119.5° | 119.7° |
| C21 | C22 | N23 | C24 | 150.4° | 67.5° |
| C22 | C21 | H13 | H14 | 120.0° | 120.0° |
| C21 | C22 | H15 | H16 | 121.3° | 120.5° |
| C21 | C22 | N23 | H26 | 29.6° | 112.5° |
| C22 | C21 | C19 | H27 | 19.3° | 30.5° |
| N30 | C28 | C29 | C27 | 121.9° | 118.8° |
| N30 | C28 | C29 | H19 | 120.1° | 120.6° |
| N30 | C28 | C27 | H19 | 120.4° | 119.7° |
| N30 | C28 | C27 | C26 | 55.9° | 83.0° |
| N30 | C28 | C27 | H20 | 175.9° | 37.0° |
| N30 | C28 | C27 | H21 | 64.2° | 157.0° |
| N30 | C28 | C29 | H22 | 180.0° | 178.8° |
| N30 | C28 | C29 | H23 | 60.0° | 61.2° |
| N30 | C28 | C29 | H24 | 60.0° | 58.7° |
| C22 | N23 | C24 | H26 | 180.0° | 179.9° |
| C22 | N23 | C24 | C26 | 179.3° | 179.8° |
| C22 | N23 | C24 | O25 | 2.9° | 0.1° |
| N23 | C22 | C21 | H13 | 179.4° | 27.2° |
| N23 | C22 | C21 | H14 | 59.4° | 147.2° |
| N23 | C22 | H15 | H16 | 121.3° | 120.4° |
| N23 | C24 | C26 | O25 | 177.8° | 179.9° |
| N23 | C24 | C26 | C27 | 125.0° | 167.2° |
| C24 | N23 | C22 | H15 | 30.9° | 52.2° |
| C24 | N23 | C22 | H16 | 90.0° | 172.7° |
| N23 | C24 | C26 | H17 | 114.5° | 47.3° |
| N23 | C24 | C26 | H18 | 4.4° | 72.8° |
| C29 | C28 | C27 | H19 | 118.0° | 120.6° |
| C29 | C28 | C27 | C26 | 177.5° | 157.3° |
| C29 | C28 | C27 | H20 | 62.4° | 82.7° |
| C29 | C28 | C27 | H21 | 57.5° | 37.2° |
| C28 | C29 | H22 | H23 | 120.0° | 120.0° |
| C28 | C29 | H22 | H24 | 120.0° | 120.0° |
| C28 | C29 | H23 | H24 | 120.0° | 120.0° |
| C29 | C28 | N30 | H25 | 77.3° | 58.8° |
| C28 | C27 | C26 | C24 | 96.2° | 78.6° |
| C28 | C27 | C26 | H20 | 120.1° | 120.0° |
| C28 | C27 | C26 | H21 | 120.1° | 120.0° |
| C28 | C27 | C26 | H17 | 143.2° | 161.4° |
| C28 | C27 | C26 | H18 | 24.4° | 41.4° |
| C28 | C27 | H20 | H21 | 119.8° | 119.9° |
| C27 | C28 | C29 | H22 | 58.1° | 60.0° |
| C27 | C28 | C29 | H23 | 178.1° | 180.0° |
| C27 | C28 | C29 | H24 | 61.9° | 60.1° |
| C27 | C28 | N30 | H25 | 42.9° | 60.9° |
| C24 | C26 | C27 | H17 | 120.6° | 120.0° |
| C24 | C26 | C27 | H18 | 120.6° | 120.0° |
| C24 | C26 | H17 | H18 | 118.3° | 120.1° |
| C24 | C26 | C27 | H20 | 143.7° | 41.3° |
| C24 | C26 | C27 | H21 | 23.8° | 161.4° |
| C26 | C24 | N23 | H26 | 0.8° | 0.2° |
| C27 | C26 | C24 | O25 | 57.2° | 12.9° |
| C27 | C26 | H17 | H18 | 118.3° | 120.0° |
| C26 | C27 | C28 | H19 | 64.5° | 36.7° |
| C26 | C27 | H20 | H21 | 119.8° | 120.1° |
| O25 | C24 | C26 | H17 | 63.4° | 132.8° |
| O25 | C24 | C26 | H18 | 177.8° | 107.1° |
| O25 | C24 | N23 | H26 | 177.1° | 179.9° |
| H1 | C4 | C5 | H3 | 64.7° | 60.0° |
| H1 | C4 | C5 | H4 | 55.1° | 179.9° |
| H1 | C4 | C3 | H43 | 120.3° | 180.0° |
| H1 | C4 | C3 | H44 | 119.2° | 60.0° |
| H2 | C4 | C5 | H3 | 55.1° | 180.0° |
| H2 | C4 | C5 | H4 | 174.9° | 60.1° |
| H2 | C4 | C3 | H43 | 0.4° | 60.0° |
| H2 | C4 | C3 | H44 | 121.0° | 180.0° |
| H3 | C5 | C6 | H5 | 125.4° | 180.0° |
| H3 | C5 | C6 | H6 | 114.2° | 60.0° |
| H4 | C5 | C6 | H5 | 5.6° | 60.0° |
| H4 | C5 | C6 | H6 | 126.0° | 180.0° |
| H5 | C6 | C7 | H7 | 110.7° | 180.0° |
| H5 | C6 | C7 | H8 | 129.0° | 60.0° |
| H6 | C6 | C7 | H7 | 9.7° | 60.0° |
| H6 | C6 | C7 | H8 | 110.6° | 180.0° |
| H7 | C7 | C8 | H9 | 175.0° | 180.0° |
| H7 | C7 | C8 | H10 | 64.1° | 60.0° |
| H8 | C7 | C8 | H9 | 54.7° | 59.9° |
| H8 | C7 | C8 | H10 | 175.7° | 180.0° |
| H9 | C8 | C9 | H45 | 165.4° | 180.0° |
| H9 | C8 | C9 | H46 | 75.3° | 60.0° |
| H10 | C8 | C9 | H45 | 44.5° | 60.0° |
| H10 | C8 | C9 | H46 | 163.8° | 180.0° |
| H11 | C10 | C9 | H45 | 169.3° | 65.0° |
| H11 | C10 | C9 | H46 | 50.0° | 175.0° |
| H11 | C10 | C11 | H47 | 58.9° | 60.1° |
| H11 | C10 | C11 | H48 | 61.1° | 60.0° |
| H11 | C10 | C11 | H49 | 178.9° | 180.0° |
| H11 | C10 | C40 | H50 | 58.9° | 180.0° |
| H11 | C10 | C40 | H51 | 179.0° | 60.0° |
| H11 | C10 | C40 | H52 | 61.1° | 60.1° |
| H12 | C17 | C18 | H29 | 101.4° | 77.8° |
| H12 | C17 | C18 | H30 | 138.8° | 162.2° |
| H12 | C17 | N16 | H31 | 177.0° | 145.0° |
| H13 | C21 | C22 | H15 | 61.0° | 146.9° |
| H13 | C21 | C22 | H16 | 59.8° | 92.5° |
| H13 | C21 | C19 | H27 | 100.7° | 89.5° |
| H14 | C21 | C22 | H15 | 179.0° | 93.1° |
| H14 | C21 | C22 | H16 | 60.2° | 27.5° |
| H14 | C21 | C19 | H27 | 139.3° | 150.5° |
| H15 | C22 | N23 | H26 | 149.2° | 127.7° |
| H16 | C22 | N23 | H26 | 89.9° | 7.2° |
| H17 | C26 | C27 | H20 | 23.1° | 78.7° |
| H17 | C26 | C27 | H21 | 96.7° | 41.4° |
| H18 | C26 | C27 | H20 | 95.7° | 161.4° |
| H18 | C26 | C27 | H21 | 144.4° | 78.6° |
| H19 | C28 | C27 | H20 | 55.5° | 156.7° |
| H19 | C28 | C27 | H21 | 175.4° | 83.3° |
| H19 | C28 | C29 | H22 | 59.9° | 60.7° |
| H19 | C28 | C29 | H23 | 60.1° | 59.4° |
| H19 | C28 | C29 | H24 | 179.9° | 179.3° |
| H19 | C28 | N30 | H25 | 163.0° | 179.3° |
| H22 | C29 | H23 | H24 | 120.0° | 120.0° |
| H27 | C19 | O20 | H28 | 58.2° | 60.0° |
| H27 | C19 | C18 | H29 | 160.1° | 135.8° |
| H27 | C19 | C18 | H30 | 80.1° | 104.1° |
| H32 | C14 | C34 | H33 | 173.8° | 55.0° |
| H32 | C14 | N13 | H38 | 125.1° | 144.9° |
| H33 | C34 | C36 | H34 | 57.2° | 180.0° |
| H33 | C34 | C36 | H35 | 177.1° | 59.9° |
| H33 | C34 | C36 | H36 | 62.9° | 60.0° |
| H33 | C34 | O35 | H37 | 59.1° | 180.0° |
| H34 | C36 | H35 | H36 | 120.0° | 120.0° |
| H39 | C1 | C2 | H41 | 29.1° | 180.0° |
| H39 | C1 | C2 | H42 | 148.8° | 60.0° |
| H40 | C1 | C2 | H41 | 151.0° | 60.0° |
| H40 | C1 | C2 | H42 | 89.2° | 180.0° |
| H41 | C2 | C3 | H43 | 159.5° | 60.1° |
| H41 | C2 | C3 | H44 | 39.0° | 180.0° |
| H42 | C2 | C3 | H43 | 80.7° | 180.0° |
| H42 | C2 | C3 | H44 | 158.8° | 60.0° |
| H47 | C11 | H48 | H49 | 120.0° | 119.9° |
| H50 | C40 | H51 | H52 | 120.0° | 120.1° |
