KH0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C27 | sing | 1.53Å | 1.51Å | |
| C33 | C27 | sing | 1.53Å | 1.51Å | |
| C27 | C31 | sing | 1.53Å | 1.52Å | |
| C27 | O25 | sing | 1.45Å | 1.48Å | |
| O25 | C24 | sing | 1.35Å | 1.35Å | |
| C24 | O26 | doub | 1.22Å | 1.21Å | |
| C24 | N23 | sing | 1.35Å | 1.37Å | |
| N23 | C19 | sing | 1.40Å | 1.41Å | |
| O22 | C21 | doub | 1.22Å | 1.23Å | |
| O48 | C47 | doub | 1.21Å | 1.24Å | |
| C19 | C21 | sing | 1.41Å | 1.48Å | |
| C19 | C18 | doub | 1.37Å | 1.37Å | |
| C21 | N15 | sing | 1.35Å | 1.38Å | |
| C30 | C29 | sing | 1.53Å | 1.49Å | |
| C30 | C34 | sing | 1.53Å | 1.50Å | |
| C18 | C17 | sing | 1.40Å | 1.42Å | |
| C47 | N49 | sing | 1.34Å | 1.34Å | |
| C47 | C45 | sing | 1.51Å | 1.52Å | |
| N15 | C20 | sing | 1.47Å | 1.47Å | |
| N15 | C16 | sing | 1.36Å | 1.38Å | |
| C29 | C34 | sing | 1.53Å | 1.49Å | |
| C29 | C22 | sing | 1.53Å | 1.52Å | |
| N49 | C51 | sing | 1.47Å | 1.46Å | |
| C26 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| O40 | C57 | sing | 1.43Å | 1.41Å | |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | C36 | sing | 1.51Å | 1.52Å | |
| C28 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C45 | C42 | sing | 1.53Å | 1.54Å | |
| C45 | C54 | sing | 1.55Å | 1.55Å | |
| C17 | C16 | doub | 1.35Å | 1.35Å | |
| N38 | C36 | sing | 1.35Å | 1.33Å | |
| N38 | C40 | sing | 1.47Å | 1.45Å | |
| C42 | C40 | sing | 1.53Å | 1.53Å | |
| C36 | O37 | doub | 1.21Å | 1.23Å | |
| N36 | C13 | sing | 1.46Å | 1.46Å | |
| N36 | C35 | sing | 1.35Å | 1.34Å | |
| C25 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C40 | C57 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C57 | C35 | sing | 1.51Å | 1.52Å | |
| C51 | C54 | sing | 1.54Å | 1.52Å | |
| C35 | O41 | doub | 1.21Å | 1.23Å | |
| C23 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | H1 | sing | 1.09Å | 1.10Å | |
| C31 | H2 | sing | 1.09Å | 1.10Å | |
| C31 | H3 | sing | 1.09Å | 1.10Å | |
| C32 | H4 | sing | 1.09Å | 1.10Å | |
| C32 | H5 | sing | 1.09Å | 1.10Å | |
| C32 | H6 | sing | 1.09Å | 1.10Å | |
| C33 | H7 | sing | 1.09Å | 1.10Å | |
| C33 | H8 | sing | 1.09Å | 1.10Å | |
| C33 | H9 | sing | 1.09Å | 1.10Å | |
| N23 | H10 | sing | 0.97Å | 1.00Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C34 | H18 | sing | 1.09Å | 1.10Å | |
| C34 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| N38 | H22 | sing | 0.97Å | 1.00Å | |
| C40 | H23 | sing | 1.09Å | 1.10Å | |
| C42 | H24 | sing | 1.09Å | 1.10Å | |
| C42 | H25 | sing | 1.09Å | 1.10Å | |
| C45 | H26 | sing | 1.09Å | 1.10Å | |
| N49 | H27 | sing | 0.97Å | 1.00Å | |
| C51 | H28 | sing | 1.09Å | 1.10Å | |
| C51 | H29 | sing | 1.09Å | 1.10Å | |
| C54 | H30 | sing | 1.09Å | 1.10Å | |
| C54 | H31 | sing | 1.09Å | 1.10Å | |
| C57 | H32 | sing | 1.09Å | 1.10Å | |
| O40 | H33 | sing | 0.97Å | 0.95Å | |
| N36 | H34 | sing | 0.97Å | 1.00Å | |
| C13 | H35 | sing | 1.09Å | 1.10Å | |
| C13 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.08Å | 1.08Å | |
| C26 | H38 | sing | 1.08Å | 1.08Å | |
| C25 | H39 | sing | 1.08Å | 1.08Å | |
| C23 | H40 | sing | 1.08Å | 1.08Å | |
| C15 | H41 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C27 | C33 | 111.1° | 109.5° |
| C32 | C27 | C31 | 111.8° | 109.5° |
| C32 | C27 | O25 | 107.7° | 109.4° |
| C27 | C32 | H4 | 109.5° | 109.5° |
| C27 | C32 | H5 | 109.5° | 109.5° |
| C27 | C32 | H6 | 109.4° | 109.4° |
| C33 | C27 | C31 | 111.5° | 109.5° |
| C33 | C27 | O25 | 103.6° | 109.5° |
| C27 | C33 | H7 | 109.5° | 109.5° |
| C27 | C33 | H8 | 109.5° | 109.5° |
| C27 | C33 | H9 | 109.4° | 109.5° |
| C31 | C27 | O25 | 110.8° | 109.5° |
| C27 | C31 | H1 | 109.5° | 109.4° |
| C27 | C31 | H2 | 109.5° | 109.5° |
| C27 | C31 | H3 | 109.5° | 109.5° |
| C27 | O25 | C24 | 121.8° | 117.0° |
| O25 | C24 | O26 | 126.5° | 119.9° |
| O25 | C24 | N23 | 107.9° | 120.1° |
| O26 | C24 | N23 | 125.5° | 120.0° |
| C24 | N23 | C19 | 130.5° | 120.1° |
| C24 | N23 | H10 | 114.7° | 120.0° |
| N23 | C19 | C21 | 111.3° | 120.4° |
| N23 | C19 | C18 | 128.2° | 120.4° |
| C19 | N23 | H10 | 114.8° | 120.0° |
| O22 | C21 | C19 | 121.7° | 120.1° |
| O22 | C21 | N15 | 121.7° | 120.0° |
| O48 | C47 | N49 | 126.3° | 124.9° |
| O48 | C47 | C45 | 125.6° | 124.9° |
| C21 | C19 | C18 | 120.3° | 119.2° |
| C19 | C21 | N15 | 116.3° | 119.9° |
| C19 | C18 | C17 | 119.8° | 119.3° |
| C19 | C18 | H11 | 120.1° | 120.4° |
| C21 | N15 | C20 | 118.4° | 119.6° |
| C21 | N15 | C16 | 122.2° | 120.8° |
| C29 | C30 | C34 | 59.9° | 60.0° |
| C30 | C29 | C34 | 60.2° | 60.0° |
| C30 | C29 | C22 | 119.5° | 117.5° |
| C30 | C29 | H17 | 116.2° | 117.5° |
| C29 | C30 | H20 | 120.0° | 117.6° |
| C29 | C30 | H21 | 120.0° | 117.5° |
| C30 | C34 | C29 | 59.9° | 60.0° |
| C30 | C34 | H18 | 120.0° | 117.5° |
| C30 | C34 | H19 | 120.0° | 117.5° |
| C34 | C30 | H20 | 120.0° | 117.5° |
| C34 | C30 | H21 | 120.0° | 117.5° |
| C18 | C17 | C16 | 120.0° | 120.0° |
| C17 | C18 | H11 | 120.1° | 120.3° |
| C18 | C17 | H12 | 120.0° | 120.0° |
| N49 | C47 | C45 | 108.0° | 110.1° |
| C47 | N49 | C51 | 114.2° | 111.3° |
| C47 | N49 | H27 | 122.9° | 124.3° |
| C47 | C45 | C42 | 110.5° | 110.5° |
| C47 | C45 | C54 | 102.7° | 104.2° |
| C47 | C45 | H26 | 108.7° | 110.6° |
| C20 | N15 | C16 | 119.4° | 119.6° |
| N15 | C20 | C22 | 114.4° | 109.5° |
| N15 | C20 | C36 | 109.8° | 109.5° |
| N15 | C20 | H14 | 108.6° | 109.5° |
| N15 | C16 | C17 | 121.3° | 120.8° |
| N15 | C16 | H13 | 119.3° | 119.6° |
| C34 | C29 | C22 | 117.6° | 117.5° |
| C34 | C29 | H17 | 116.3° | 117.5° |
| C29 | C34 | H18 | 120.0° | 117.5° |
| C29 | C34 | H19 | 120.0° | 117.5° |
| C29 | C22 | C20 | 114.8° | 109.5° |
| C29 | C22 | H15 | 108.1° | 109.5° |
| C29 | C22 | H16 | 108.1° | 109.5° |
| C22 | C29 | H17 | 115.7° | 115.6° |
| N49 | C51 | C54 | 99.9° | 105.5° |
| C51 | N49 | H27 | 122.9° | 124.4° |
| N49 | C51 | H28 | 111.8° | 110.2° |
| N49 | C51 | H29 | 111.8° | 110.2° |
| C28 | C26 | C25 | 120.2° | 120.0° |
| C26 | C28 | C14 | 120.6° | 120.0° |
| C26 | C28 | H37 | 119.7° | 120.0° |
| C28 | C26 | H38 | 119.9° | 120.0° |
| C26 | C25 | C23 | 119.7° | 120.0° |
| C25 | C26 | H38 | 119.9° | 120.0° |
| C26 | C25 | H39 | 120.2° | 120.0° |
| O40 | C57 | C40 | 104.2° | 109.5° |
| O40 | C57 | C35 | 110.1° | 109.5° |
| O40 | C57 | H32 | 112.7° | 109.4° |
| C57 | O40 | H33 | 109.5° | 114.0° |
| C22 | C20 | C36 | 107.9° | 109.5° |
| C22 | C20 | H14 | 107.9° | 109.5° |
| C20 | C22 | H15 | 108.1° | 109.5° |
| C20 | C22 | H16 | 108.2° | 109.5° |
| C20 | C36 | N38 | 115.0° | 120.0° |
| C20 | C36 | O37 | 121.4° | 120.0° |
| C36 | C20 | H14 | 108.0° | 109.5° |
| C28 | C14 | C13 | 120.3° | 120.0° |
| C28 | C14 | C15 | 118.6° | 120.0° |
| C14 | C28 | H37 | 119.7° | 120.1° |
| C42 | C45 | C54 | 117.7° | 110.5° |
| C45 | C42 | C40 | 114.8° | 109.5° |
| C45 | C42 | H24 | 108.1° | 109.5° |
| C45 | C42 | H25 | 108.1° | 109.5° |
| C42 | C45 | H26 | 108.5° | 110.5° |
| C45 | C54 | C51 | 105.0° | 101.8° |
| C54 | C45 | H26 | 108.3° | 110.4° |
| C45 | C54 | H30 | 110.6° | 110.9° |
| C45 | C54 | H31 | 110.6° | 111.0° |
| C16 | C17 | H12 | 120.0° | 120.0° |
| C17 | C16 | H13 | 119.4° | 119.5° |
| C36 | N38 | C40 | 121.9° | 120.0° |
| N38 | C36 | O37 | 123.5° | 120.0° |
| C36 | N38 | H22 | 119.1° | 120.0° |
| N38 | C40 | C42 | 108.4° | 109.5° |
| N38 | C40 | C57 | 108.8° | 109.5° |
| C40 | N38 | H22 | 119.0° | 120.0° |
| N38 | C40 | H23 | 110.1° | 109.4° |
| C42 | C40 | C57 | 111.5° | 109.5° |
| C42 | C40 | H23 | 109.0° | 109.4° |
| C40 | C42 | H24 | 108.2° | 109.5° |
| C40 | C42 | H25 | 108.1° | 109.4° |
| C13 | N36 | C35 | 122.4° | 120.0° |
| N36 | C13 | C14 | 111.4° | 109.5° |
| C13 | N36 | H34 | 118.8° | 120.0° |
| N36 | C13 | H35 | 109.0° | 109.5° |
| N36 | C13 | H36 | 109.0° | 109.5° |
| N36 | C35 | C57 | 116.2° | 120.1° |
| N36 | C35 | O41 | 124.1° | 120.0° |
| C35 | N36 | H34 | 118.8° | 120.0° |
| C25 | C23 | C15 | 120.2° | 120.0° |
| C23 | C25 | H39 | 120.2° | 120.0° |
| C25 | C23 | H40 | 119.9° | 120.1° |
| C40 | C57 | C35 | 107.8° | 109.5° |
| C57 | C40 | H23 | 109.0° | 109.5° |
| C40 | C57 | H32 | 110.7° | 109.5° |
| C13 | C14 | C15 | 121.0° | 120.0° |
| C14 | C13 | H35 | 109.0° | 109.5° |
| C14 | C13 | H36 | 109.0° | 109.5° |
| C14 | C15 | C23 | 120.6° | 120.0° |
| C14 | C15 | H41 | 119.7° | 120.0° |
| C57 | C35 | O41 | 119.7° | 120.0° |
| C35 | C57 | H32 | 111.0° | 109.4° |
| C54 | C51 | H28 | 111.8° | 110.2° |
| C54 | C51 | H29 | 111.8° | 110.3° |
| C51 | C54 | H30 | 110.6° | 111.0° |
| C51 | C54 | H31 | 110.6° | 111.0° |
| C15 | C23 | H40 | 119.9° | 120.0° |
| C23 | C15 | H41 | 119.7° | 120.0° |
| H1 | C31 | H2 | 109.4° | 109.4° |
| H1 | C31 | H3 | 109.4° | 109.4° |
| H2 | C31 | H3 | 109.5° | 109.5° |
| H4 | C32 | H5 | 109.5° | 109.5° |
| H4 | C32 | H6 | 109.5° | 109.5° |
| H5 | C32 | H6 | 109.5° | 109.5° |
| H7 | C33 | H8 | 109.5° | 109.5° |
| H7 | C33 | H9 | 109.5° | 109.5° |
| H8 | C33 | H9 | 109.5° | 109.4° |
| H15 | C22 | H16 | 109.5° | 109.4° |
| H18 | C34 | H19 | 109.5° | 115.5° |
| H20 | C30 | H21 | 109.4° | 115.5° |
| H24 | C42 | H25 | 109.5° | 109.5° |
| H28 | C51 | H29 | 109.5° | 110.2° |
| H30 | C54 | H31 | 109.5° | 110.9° |
| H35 | C13 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C27 | C33 | C31 | 125.4° | 120.0° |
| C32 | C27 | C33 | O25 | 115.4° | 120.0° |
| C32 | C27 | C31 | O25 | 120.1° | 120.0° |
| C32 | C27 | O25 | C24 | 87.1° | 180.0° |
| C32 | C27 | C31 | H1 | 180.0° | 60.0° |
| C32 | C27 | C31 | H2 | 60.0° | 60.0° |
| C32 | C27 | C31 | H3 | 60.0° | 180.0° |
| C27 | C32 | H4 | H5 | 120.0° | 120.1° |
| C27 | C32 | H4 | H6 | 120.0° | 119.9° |
| C27 | C32 | H5 | H6 | 120.0° | 120.0° |
| C32 | C27 | C33 | H7 | 180.0° | 60.0° |
| C32 | C27 | C33 | H8 | 60.0° | 60.0° |
| C32 | C27 | C33 | H9 | 60.0° | 180.0° |
| C33 | C27 | C31 | O25 | 114.9° | 120.0° |
| C33 | C27 | O25 | C24 | 155.1° | 60.0° |
| C33 | C27 | C31 | H1 | 55.0° | 180.0° |
| C33 | C27 | C31 | H2 | 175.0° | 60.0° |
| C33 | C27 | C31 | H3 | 65.0° | 60.1° |
| C33 | C27 | C32 | H4 | 180.0° | 179.9° |
| C33 | C27 | C32 | H5 | 60.0° | 60.0° |
| C33 | C27 | C32 | H6 | 60.0° | 60.0° |
| C27 | C33 | H7 | H8 | 120.0° | 120.0° |
| C27 | C33 | H7 | H9 | 120.0° | 120.0° |
| C27 | C33 | H8 | H9 | 120.0° | 120.0° |
| C31 | C27 | O25 | C24 | 35.4° | 60.0° |
| C27 | C31 | H1 | H2 | 120.0° | 120.0° |
| C27 | C31 | H1 | H3 | 120.0° | 120.0° |
| C27 | C31 | H2 | H3 | 120.0° | 120.1° |
| C31 | C27 | C32 | H4 | 54.8° | 60.0° |
| C31 | C27 | C32 | H5 | 174.8° | 180.0° |
| C31 | C27 | C32 | H6 | 65.2° | 60.0° |
| C31 | C27 | C33 | H7 | 54.6° | 60.0° |
| C31 | C27 | C33 | H8 | 65.4° | 180.0° |
| C31 | C27 | C33 | H9 | 174.6° | 60.0° |
| C27 | O25 | C24 | O26 | 0.0° | 0.0° |
| C27 | O25 | C24 | N23 | 179.8° | 179.7° |
| O25 | C27 | C31 | H1 | 59.9° | 60.0° |
| O25 | C27 | C31 | H2 | 60.1° | 179.9° |
| O25 | C27 | C31 | H3 | 179.9° | 60.0° |
| O25 | C27 | C32 | H4 | 67.2° | 60.1° |
| O25 | C27 | C32 | H5 | 52.8° | 60.0° |
| O25 | C27 | C32 | H6 | 172.8° | 180.0° |
| O25 | C27 | C33 | H7 | 64.6° | 180.0° |
| O25 | C27 | C33 | H8 | 175.4° | 60.0° |
| O25 | C27 | C33 | H9 | 55.4° | 60.0° |
| O25 | C24 | O26 | N23 | 179.8° | 179.7° |
| O25 | C24 | N23 | C19 | 179.4° | 174.9° |
| O25 | C24 | N23 | H10 | 0.6° | 5.1° |
| O26 | C24 | N23 | C19 | 0.5° | 4.8° |
| O26 | C24 | N23 | H10 | 179.5° | 175.2° |
| C24 | N23 | C19 | H10 | 180.0° | 180.0° |
| C24 | N23 | C19 | C21 | 174.3° | 59.8° |
| C24 | N23 | C19 | C18 | 1.7° | 120.5° |
| N23 | C19 | C21 | O22 | 10.2° | 0.0° |
| N23 | C19 | C21 | C18 | 176.4° | 179.7° |
| N23 | C19 | C21 | N15 | 175.6° | 180.0° |
| N23 | C19 | C18 | C17 | 175.2° | 180.0° |
| N23 | C19 | C18 | H11 | 4.7° | 0.0° |
| O22 | C21 | C19 | N15 | 174.2° | 180.0° |
| O22 | C21 | C19 | C18 | 173.4° | 179.7° |
| O22 | C21 | N15 | C20 | 5.7° | 0.0° |
| O22 | C21 | N15 | C16 | 173.4° | 180.0° |
| O48 | C47 | N49 | C45 | 177.3° | 179.9° |
| O48 | C47 | N49 | C51 | 160.5° | 179.7° |
| O48 | C47 | C45 | C42 | 55.4° | 45.0° |
| O48 | C47 | C45 | C54 | 178.2° | 163.7° |
| O48 | C47 | C45 | H26 | 63.6° | 77.6° |
| O48 | C47 | N49 | H27 | 19.5° | 0.4° |
| C21 | C19 | C18 | C17 | 0.5° | 0.3° |
| C19 | C21 | N15 | C20 | 180.0° | 180.0° |
| C19 | C21 | N15 | C16 | 0.9° | 0.0° |
| C21 | C19 | N23 | H10 | 5.7° | 120.2° |
| C21 | C19 | C18 | H11 | 179.5° | 179.7° |
| C18 | C19 | C21 | N15 | 0.8° | 0.3° |
| C19 | C18 | C17 | H11 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.2° | 0.0° |
| C18 | C19 | N23 | H10 | 178.3° | 59.5° |
| C19 | C18 | C17 | H12 | 179.8° | 180.0° |
| C21 | N15 | C20 | C16 | 179.1° | 179.9° |
| C21 | N15 | C20 | C22 | 144.8° | 120.0° |
| C21 | N15 | C20 | C36 | 93.7° | 120.0° |
| C21 | N15 | C16 | C17 | 0.6° | 0.3° |
| C21 | N15 | C16 | H13 | 179.4° | 179.9° |
| C21 | N15 | C20 | H14 | 24.2° | 0.0° |
| C29 | C30 | C34 | H20 | 109.5° | 107.5° |
| C29 | C30 | C34 | H21 | 109.5° | 107.5° |
| C30 | C29 | C34 | C22 | 109.9° | 107.5° |
| C30 | C29 | C34 | H17 | 106.6° | 107.5° |
| C30 | C29 | C22 | H17 | 146.8° | 145.8° |
| C30 | C29 | C22 | C20 | 73.7° | 116.4° |
| C30 | C29 | C22 | H15 | 47.1° | 123.6° |
| C30 | C29 | C22 | H16 | 165.5° | 3.6° |
| C29 | C30 | C34 | H18 | 109.4° | 107.5° |
| C29 | C30 | C34 | H19 | 109.4° | 107.5° |
| C29 | C30 | H20 | H21 | 144.8° | 145.6° |
| C30 | C34 | H18 | H19 | 144.8° | 145.7° |
| C34 | C30 | H20 | H21 | 144.8° | 145.7° |
| C18 | C17 | C16 | N15 | 0.2° | 0.3° |
| C18 | C17 | C16 | H12 | 180.0° | 180.0° |
| C18 | C17 | C16 | H13 | 179.8° | 179.9° |
| C47 | N49 | C51 | H27 | 180.0° | 179.9° |
| N49 | C47 | C45 | C42 | 122.0° | 134.9° |
| N49 | C47 | C45 | C54 | 4.4° | 16.2° |
| C47 | N49 | C51 | C54 | 30.3° | 17.0° |
| N49 | C47 | C45 | H26 | 119.1° | 102.4° |
| C47 | N49 | C51 | H28 | 148.8° | 102.0° |
| C47 | N49 | C51 | H29 | 88.1° | 136.1° |
| C45 | C47 | N49 | C51 | 16.8° | 0.4° |
| C47 | C45 | C42 | C54 | 117.5° | 114.8° |
| C47 | C45 | C42 | H26 | 119.1° | 122.7° |
| C47 | C45 | C54 | H26 | 115.0° | 118.8° |
| C47 | C45 | C42 | C40 | 166.6° | 71.0° |
| C47 | C45 | C54 | C51 | 22.2° | 24.8° |
| C47 | C45 | C42 | H24 | 72.6° | 49.1° |
| C47 | C45 | C42 | H25 | 45.9° | 169.1° |
| C45 | C47 | N49 | H27 | 163.2° | 179.5° |
| C47 | C45 | C54 | H30 | 141.5° | 93.3° |
| C47 | C45 | C54 | H31 | 97.1° | 142.9° |
| N15 | C20 | C22 | C29 | 61.6° | 65.0° |
| N15 | C20 | C22 | C36 | 122.5° | 120.0° |
| N15 | C20 | C22 | H14 | 121.0° | 120.0° |
| N15 | C20 | C36 | H14 | 118.3° | 120.0° |
| C20 | N15 | C16 | C17 | 179.7° | 179.7° |
| N15 | C20 | C36 | N38 | 125.6° | 180.0° |
| N15 | C20 | C36 | O37 | 58.6° | 0.0° |
| C20 | N15 | C16 | H13 | 0.3° | 0.1° |
| N15 | C20 | C22 | H15 | 177.6° | 55.0° |
| N15 | C20 | C22 | H16 | 59.2° | 175.0° |
| C16 | N15 | C20 | C22 | 36.1° | 60.1° |
| C16 | N15 | C20 | C36 | 85.4° | 59.9° |
| N15 | C16 | C17 | H13 | 180.0° | 179.6° |
| N15 | C16 | C17 | H12 | 179.8° | 179.7° |
| C16 | N15 | C20 | H14 | 156.7° | 179.9° |
| C34 | C29 | C22 | H17 | 143.7° | 145.7° |
| C34 | C29 | C22 | C20 | 143.2° | 175.0° |
| C34 | C29 | C22 | H15 | 22.5° | 55.0° |
| C34 | C29 | C22 | H16 | 96.0° | 65.0° |
| C29 | C34 | H18 | H19 | 144.8° | 145.7° |
| C29 | C22 | C20 | H15 | 120.8° | 120.0° |
| C29 | C22 | C20 | H16 | 120.8° | 120.1° |
| C29 | C22 | C20 | C36 | 175.9° | 175.0° |
| C29 | C22 | C20 | H14 | 59.4° | 55.0° |
| C29 | C22 | H15 | H16 | 117.6° | 120.0° |
| C22 | C29 | C34 | H18 | 0.5° | 145.0° |
| C22 | C29 | C34 | H19 | 140.6° | 0.0° |
| C22 | C29 | C30 | H20 | 2.7° | 0.1° |
| C22 | C29 | C30 | H21 | 143.8° | 145.0° |
| N49 | C51 | C54 | C45 | 30.3° | 25.4° |
| N49 | C51 | C54 | H28 | 118.4° | 119.0° |
| N49 | C51 | C54 | H29 | 118.4° | 119.1° |
| N49 | C51 | H28 | H29 | 124.4° | 121.9° |
| N49 | C51 | C54 | H30 | 149.6° | 92.7° |
| N49 | C51 | C54 | H31 | 89.0° | 143.6° |
| C28 | C26 | C25 | H38 | 180.0° | 180.0° |
| C26 | C28 | C14 | H37 | 180.0° | 180.0° |
| C28 | C26 | C25 | C23 | 0.1° | 0.0° |
| C26 | C28 | C14 | C13 | 176.7° | 180.0° |
| C26 | C28 | C14 | C15 | 0.4° | 0.2° |
| C28 | C26 | C25 | H39 | 179.9° | 179.9° |
| C25 | C26 | C28 | C14 | 0.2° | 0.0° |
| C26 | C25 | C23 | H39 | 180.0° | 179.9° |
| C26 | C25 | C23 | C15 | 0.1° | 0.2° |
| C25 | C26 | C28 | H37 | 179.9° | 180.0° |
| C26 | C25 | C23 | H40 | 179.9° | 180.0° |
| O40 | C57 | C40 | N38 | 51.1° | 68.4° |
| O40 | C57 | C40 | C42 | 68.4° | 51.6° |
| O40 | C57 | C35 | N36 | 6.8° | 177.8° |
| O40 | C57 | C40 | C35 | 117.0° | 120.0° |
| O40 | C57 | C40 | H32 | 121.5° | 120.0° |
| O40 | C57 | C35 | H32 | 125.5° | 120.0° |
| O40 | C57 | C35 | O41 | 175.3° | 2.2° |
| O40 | C57 | C40 | H23 | 171.2° | 171.6° |
| C22 | C20 | C36 | H14 | 116.4° | 120.0° |
| C22 | C20 | C36 | N38 | 109.1° | 60.0° |
| C22 | C20 | C36 | O37 | 66.8° | 120.0° |
| C20 | C22 | H15 | H16 | 117.6° | 120.0° |
| C20 | C22 | C29 | H17 | 73.1° | 29.4° |
| C20 | C36 | N38 | O37 | 175.8° | 180.0° |
| C20 | C36 | N38 | C40 | 173.3° | 175.0° |
| C36 | C20 | C22 | H15 | 55.1° | 65.0° |
| C36 | C20 | C22 | H16 | 63.3° | 55.0° |
| C20 | C36 | N38 | H22 | 6.7° | 5.0° |
| C28 | C14 | C13 | N36 | 52.5° | 89.8° |
| C28 | C14 | C13 | C15 | 177.0° | 179.8° |
| C28 | C14 | C15 | C23 | 0.4° | 0.5° |
| C28 | C14 | C13 | H35 | 67.8° | 150.2° |
| C28 | C14 | C13 | H36 | 172.8° | 30.2° |
| C14 | C28 | C26 | H38 | 179.9° | 180.0° |
| C28 | C14 | C15 | H41 | 179.6° | 179.8° |
| C42 | C45 | C54 | H26 | 123.5° | 122.5° |
| C45 | C42 | C40 | N38 | 62.9° | 164.9° |
| C45 | C42 | C40 | H24 | 120.8° | 120.1° |
| C45 | C42 | C40 | H25 | 120.8° | 119.9° |
| C45 | C42 | C40 | C57 | 177.3° | 75.0° |
| C42 | C45 | C54 | C51 | 99.4° | 143.4° |
| C45 | C42 | C40 | H23 | 56.9° | 45.0° |
| C45 | C42 | H24 | H25 | 117.6° | 120.0° |
| C42 | C45 | C54 | H30 | 19.9° | 25.3° |
| C42 | C45 | C54 | H31 | 141.3° | 98.4° |
| C54 | C45 | C42 | C40 | 75.9° | 174.3° |
| C45 | C54 | C51 | H30 | 119.3° | 118.1° |
| C45 | C54 | C51 | H31 | 119.3° | 118.2° |
| C54 | C45 | C42 | H24 | 44.9° | 65.7° |
| C54 | C45 | C42 | H25 | 163.4° | 54.4° |
| C45 | C54 | C51 | H28 | 148.7° | 93.6° |
| C45 | C54 | C51 | H29 | 88.1° | 144.4° |
| C45 | C54 | H30 | H31 | 122.1° | 123.8° |
| C16 | C17 | C18 | H11 | 179.8° | 180.0° |
| C36 | N38 | C40 | H22 | 180.0° | 180.0° |
| C36 | N38 | C40 | C42 | 114.9° | 80.5° |
| C36 | N38 | C40 | C57 | 123.7° | 159.4° |
| N38 | C36 | C20 | H14 | 7.3° | 60.0° |
| C36 | N38 | C40 | H23 | 4.3° | 39.4° |
| N38 | C40 | C42 | C57 | 119.8° | 120.1° |
| N38 | C40 | C42 | H23 | 119.9° | 119.9° |
| C40 | N38 | C36 | O37 | 2.4° | 5.0° |
| N38 | C40 | C57 | H23 | 120.1° | 120.0° |
| N38 | C40 | C57 | C35 | 168.1° | 171.5° |
| N38 | C40 | C42 | H24 | 176.3° | 44.9° |
| N38 | C40 | C42 | H25 | 57.8° | 75.1° |
| N38 | C40 | C57 | H32 | 70.3° | 51.6° |
| C42 | C40 | C57 | H23 | 120.4° | 120.0° |
| C42 | C40 | C57 | C35 | 48.6° | 68.4° |
| C42 | C40 | N38 | H22 | 65.1° | 99.5° |
| C40 | C42 | H24 | H25 | 117.6° | 119.9° |
| C40 | C42 | C45 | H26 | 47.5° | 51.8° |
| C42 | C40 | C57 | H32 | 170.2° | 171.6° |
| O37 | C36 | C20 | H14 | 176.8° | 120.0° |
| O37 | C36 | N38 | H22 | 177.5° | 175.0° |
| C13 | N36 | C35 | H34 | 180.0° | 180.0° |
| N36 | C13 | C14 | H35 | 120.3° | 120.0° |
| N36 | C13 | C14 | H36 | 120.3° | 120.0° |
| N36 | C13 | C14 | C15 | 124.5° | 90.0° |
| C13 | N36 | C35 | C57 | 175.2° | 180.0° |
| C13 | N36 | C35 | O41 | 2.6° | 0.0° |
| N36 | C13 | H35 | H36 | 119.1° | 120.0° |
| N36 | C35 | C57 | C40 | 106.2° | 62.2° |
| C35 | N36 | C13 | C14 | 81.7° | 180.0° |
| N36 | C35 | C57 | O41 | 177.9° | 180.0° |
| N36 | C35 | C57 | H32 | 132.4° | 57.9° |
| C35 | N36 | C13 | H35 | 158.0° | 60.0° |
| C35 | N36 | C13 | H36 | 38.6° | 60.0° |
| C25 | C23 | C15 | C14 | 0.1° | 0.5° |
| C25 | C23 | C15 | H40 | 180.0° | 179.8° |
| C23 | C25 | C26 | H38 | 179.9° | 180.0° |
| C25 | C23 | C15 | H41 | 179.8° | 179.8° |
| C40 | C57 | C35 | H32 | 121.4° | 120.0° |
| C40 | C57 | C35 | O41 | 71.7° | 117.9° |
| C57 | C40 | N38 | H22 | 56.3° | 20.6° |
| C57 | C40 | C42 | H24 | 56.5° | 164.9° |
| C57 | C40 | C42 | H25 | 61.9° | 44.9° |
| C40 | C57 | O40 | H33 | 180.0° | 60.0° |
| C13 | C14 | C15 | C23 | 176.7° | 179.7° |
| C14 | C13 | N36 | H34 | 98.3° | 0.0° |
| C14 | C13 | H35 | H36 | 119.1° | 120.0° |
| C13 | C14 | C28 | H37 | 3.3° | 0.0° |
| C13 | C14 | C15 | H41 | 3.3° | 0.0° |
| C14 | C15 | C23 | H41 | 180.0° | 179.8° |
| C15 | C14 | C13 | H35 | 115.2° | 30.0° |
| C15 | C14 | C13 | H36 | 4.2° | 150.0° |
| C15 | C14 | C28 | H37 | 179.7° | 179.7° |
| C14 | C15 | C23 | H40 | 179.9° | 179.7° |
| C35 | C57 | C40 | H23 | 71.8° | 51.5° |
| C35 | C57 | O40 | H33 | 64.7° | 60.0° |
| C57 | C35 | N36 | H34 | 4.7° | 0.0° |
| C51 | C54 | C45 | H26 | 137.2° | 94.0° |
| C54 | C51 | N49 | H27 | 149.7° | 162.9° |
| C54 | C51 | H28 | H29 | 124.5° | 122.0° |
| C51 | C54 | H30 | H31 | 122.1° | 123.8° |
| O41 | C35 | C57 | H32 | 49.7° | 122.1° |
| O41 | C35 | N36 | H34 | 177.5° | 180.0° |
| C15 | C23 | C25 | H39 | 179.9° | 179.8° |
| H1 | C31 | H2 | H3 | 119.9° | 120.0° |
| H4 | C32 | H5 | H6 | 120.0° | 120.0° |
| H7 | C33 | H8 | H9 | 120.0° | 120.0° |
| H11 | C18 | C17 | H12 | 0.2° | 0.0° |
| H12 | C17 | C16 | H13 | 0.2° | 0.1° |
| H14 | C20 | C22 | H15 | 61.4° | 175.0° |
| H14 | C20 | C22 | H16 | 179.8° | 65.0° |
| H15 | C22 | C29 | H17 | 166.2° | 90.7° |
| H16 | C22 | C29 | H17 | 47.7° | 149.4° |
| H17 | C29 | C34 | H18 | 144.0° | 0.0° |
| H17 | C29 | C34 | H19 | 2.9° | 145.0° |
| H17 | C29 | C30 | H20 | 143.9° | 145.0° |
| H17 | C29 | C30 | H21 | 2.8° | 0.1° |
| H18 | C34 | C30 | H20 | 0.0° | 145.0° |
| H18 | C34 | C30 | H21 | 141.1° | 0.0° |
| H19 | C34 | C30 | H20 | 141.1° | 0.0° |
| H19 | C34 | C30 | H21 | 0.0° | 145.0° |
| H22 | N38 | C40 | H23 | 175.7° | 140.6° |
| H23 | C40 | C42 | H24 | 63.8° | 75.0° |
| H23 | C40 | C42 | H25 | 177.7° | 165.0° |
| H23 | C40 | C57 | H32 | 49.8° | 68.4° |
| H24 | C42 | C45 | H26 | 168.3° | 171.8° |
| H25 | C42 | C45 | H26 | 73.2° | 68.1° |
| H26 | C45 | C54 | H30 | 103.5° | 147.9° |
| H26 | C45 | C54 | H31 | 17.9° | 24.1° |
| H27 | N49 | C51 | H28 | 31.2° | 78.1° |
| H27 | N49 | C51 | H29 | 91.9° | 43.9° |
| H28 | C51 | C54 | H30 | 92.0° | 148.3° |
| H28 | C51 | C54 | H31 | 29.4° | 24.6° |
| H29 | C51 | C54 | H30 | 31.2° | 26.3° |
| H29 | C51 | C54 | H31 | 152.6° | 97.4° |
| H32 | C57 | O40 | H33 | 59.9° | 179.9° |
| H34 | N36 | C13 | H35 | 22.0° | 120.0° |
| H34 | N36 | C13 | H36 | 141.4° | 120.0° |
| H37 | C28 | C26 | H38 | 0.1° | 0.0° |
| H38 | C26 | C25 | H39 | 0.1° | 0.1° |
| H39 | C25 | C23 | H40 | 0.1° | 0.0° |
| H40 | C23 | C15 | H41 | 0.1° | 0.0° |
