UAX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C18 | sing | 1.40Å | 1.39Å | |
| C17 | C16 | doub | 1.35Å | 1.35Å | |
| C25 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.37Å | Aromatic |
| C18 | C19 | doub | 1.37Å | 1.40Å | |
| C23 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | N15 | sing | 1.36Å | 1.37Å | |
| C26 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| O26 | C24 | doub | 1.21Å | 1.21Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | N23 | sing | 1.40Å | 1.41Å | |
| C19 | C21 | sing | 1.41Å | 1.39Å | |
| C24 | O25 | sing | 1.35Å | 1.34Å | |
| C24 | N23 | sing | 1.35Å | 1.35Å | |
| C31 | C27 | sing | 1.53Å | 1.51Å | |
| O25 | C27 | sing | 1.45Å | 1.48Å | |
| C28 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| N15 | C21 | sing | 1.35Å | 1.40Å | |
| N15 | C20 | sing | 1.46Å | 1.47Å | |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C34 | C29 | sing | 1.53Å | 1.50Å | |
| C34 | C30 | sing | 1.53Å | 1.49Å | |
| O37 | C36 | doub | 1.21Å | 1.23Å | |
| C22 | C29 | sing | 1.53Å | 1.51Å | |
| C22 | C20 | sing | 1.53Å | 1.53Å | |
| C21 | O22 | doub | 1.22Å | 1.22Å | |
| C29 | C30 | sing | 1.53Å | 1.50Å | |
| C27 | C32 | sing | 1.53Å | 1.51Å | |
| C27 | C33 | sing | 1.53Å | 1.51Å | |
| N36 | C13 | sing | 1.47Å | 1.45Å | |
| N36 | C35 | sing | 1.35Å | 1.33Å | |
| C20 | C36 | sing | 1.51Å | 1.52Å | |
| C36 | N38 | sing | 1.35Å | 1.34Å | |
| O41 | C35 | doub | 1.21Å | 1.23Å | |
| C35 | C57 | sing | 1.51Å | 1.52Å | |
| C54 | C51 | sing | 1.55Å | 1.52Å | |
| C54 | C45 | sing | 1.55Å | 1.52Å | |
| C51 | N49 | sing | 1.47Å | 1.46Å | |
| N38 | C40 | sing | 1.46Å | 1.46Å | |
| C40 | C57 | sing | 1.53Å | 1.53Å | |
| C40 | C42 | sing | 1.53Å | 1.52Å | |
| C57 | O40 | sing | 1.43Å | 1.42Å | |
| C45 | C42 | sing | 1.53Å | 1.53Å | |
| C45 | C47 | sing | 1.51Å | 1.51Å | |
| N49 | C47 | sing | 1.34Å | 1.33Å | |
| C47 | O48 | doub | 1.21Å | 1.25Å | |
| 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) |
| C18 | C17 | C16 | 119.3° | 120.0° |
| C17 | C18 | C19 | 119.4° | 119.2° |
| C17 | C18 | H11 | 120.3° | 120.4° |
| C18 | C17 | H12 | 120.4° | 120.0° |
| C17 | C16 | N15 | 121.5° | 120.9° |
| C16 | C17 | H12 | 120.3° | 120.0° |
| C17 | C16 | H13 | 119.2° | 119.6° |
| C23 | C25 | C26 | 119.7° | 120.0° |
| C25 | C23 | C15 | 120.6° | 120.0° |
| C23 | C25 | H39 | 120.2° | 120.0° |
| C25 | C23 | H40 | 119.7° | 120.0° |
| C25 | C26 | C28 | 120.0° | 120.0° |
| C25 | C26 | H38 | 120.0° | 120.0° |
| C26 | C25 | H39 | 120.1° | 120.0° |
| C18 | C19 | N23 | 123.6° | 120.4° |
| C18 | C19 | C21 | 121.5° | 119.2° |
| C19 | C18 | H11 | 120.3° | 120.4° |
| C23 | C15 | C14 | 120.2° | 120.0° |
| C15 | C23 | H40 | 119.7° | 120.0° |
| C23 | C15 | H41 | 119.9° | 120.0° |
| C16 | N15 | C21 | 121.8° | 120.7° |
| C16 | N15 | C20 | 120.3° | 119.7° |
| N15 | C16 | H13 | 119.2° | 119.6° |
| C26 | C28 | C14 | 120.9° | 120.0° |
| C26 | C28 | H37 | 119.6° | 120.0° |
| C28 | C26 | H38 | 120.0° | 120.0° |
| O26 | C24 | O25 | 126.2° | 120.1° |
| O26 | C24 | N23 | 125.8° | 120.0° |
| C15 | C14 | C28 | 118.5° | 120.0° |
| C15 | C14 | C13 | 121.7° | 120.0° |
| C14 | C15 | H41 | 119.9° | 120.0° |
| N23 | C19 | C21 | 114.8° | 120.4° |
| C19 | N23 | C24 | 127.4° | 119.9° |
| C19 | N23 | H10 | 116.3° | 120.0° |
| C19 | C21 | N15 | 116.3° | 120.0° |
| C19 | C21 | O22 | 124.8° | 120.0° |
| O25 | C24 | N23 | 108.0° | 119.9° |
| C24 | O25 | C27 | 122.2° | 117.0° |
| C24 | N23 | H10 | 116.3° | 120.1° |
| C31 | C27 | O25 | 108.6° | 109.5° |
| C31 | C27 | C32 | 110.8° | 109.5° |
| C31 | C27 | C33 | 111.3° | 109.5° |
| C27 | C31 | H1 | 109.5° | 109.5° |
| C27 | C31 | H2 | 109.5° | 109.5° |
| C27 | C31 | H3 | 109.5° | 109.5° |
| O25 | C27 | C32 | 104.0° | 109.4° |
| O25 | C27 | C33 | 110.6° | 109.5° |
| C28 | C14 | C13 | 119.8° | 120.0° |
| C14 | C28 | H37 | 119.5° | 120.0° |
| C21 | N15 | C20 | 117.8° | 119.6° |
| N15 | C21 | O22 | 118.9° | 120.0° |
| N15 | C20 | C22 | 114.1° | 109.5° |
| N15 | C20 | C36 | 108.9° | 109.5° |
| N15 | C20 | H14 | 107.8° | 109.5° |
| C14 | C13 | N36 | 114.4° | 109.5° |
| C14 | C13 | H35 | 108.2° | 109.5° |
| C14 | C13 | H36 | 108.2° | 109.4° |
| C29 | C34 | C30 | 60.2° | 60.0° |
| C34 | C29 | C22 | 120.8° | 117.5° |
| C34 | C29 | C30 | 59.7° | 60.0° |
| C34 | C29 | H17 | 115.2° | 117.5° |
| C29 | C34 | H18 | 120.0° | 117.5° |
| C29 | C34 | H19 | 120.0° | 117.5° |
| C34 | C30 | C29 | 60.1° | 60.0° |
| C30 | C34 | H18 | 120.0° | 117.4° |
| C30 | C34 | H19 | 120.0° | 117.4° |
| C34 | C30 | H20 | 120.0° | 117.5° |
| C34 | C30 | H21 | 120.0° | 117.5° |
| O37 | C36 | C20 | 119.4° | 120.0° |
| O37 | C36 | N38 | 122.7° | 120.0° |
| C29 | C22 | C20 | 113.1° | 109.5° |
| C22 | C29 | C30 | 120.0° | 117.5° |
| C29 | C22 | H15 | 108.5° | 109.4° |
| C29 | C22 | H16 | 108.5° | 109.5° |
| C22 | C29 | H17 | 114.9° | 115.5° |
| C22 | C20 | C36 | 111.3° | 109.4° |
| C22 | C20 | H14 | 107.1° | 109.4° |
| C20 | C22 | H15 | 108.6° | 109.5° |
| C20 | C22 | H16 | 108.5° | 109.5° |
| C30 | C29 | H17 | 115.2° | 117.5° |
| C29 | C30 | H20 | 120.0° | 117.5° |
| C29 | C30 | H21 | 120.0° | 117.5° |
| C32 | C27 | C33 | 111.4° | 109.4° |
| C27 | C32 | H4 | 109.5° | 109.5° |
| C27 | C32 | H5 | 109.4° | 109.5° |
| C27 | C32 | H6 | 109.5° | 109.5° |
| C27 | C33 | H7 | 109.5° | 109.4° |
| C27 | C33 | H8 | 109.5° | 109.5° |
| C27 | C33 | H9 | 109.5° | 109.5° |
| C13 | N36 | C35 | 123.1° | 120.0° |
| C13 | N36 | H34 | 118.4° | 119.9° |
| N36 | C13 | H35 | 108.2° | 109.4° |
| N36 | C13 | H36 | 108.2° | 109.5° |
| N36 | C35 | O41 | 122.4° | 119.9° |
| N36 | C35 | C57 | 118.5° | 120.0° |
| C35 | N36 | H34 | 118.4° | 120.0° |
| C20 | C36 | N38 | 117.9° | 120.0° |
| C36 | C20 | H14 | 107.3° | 109.5° |
| C36 | N38 | C40 | 122.5° | 120.0° |
| C36 | N38 | H22 | 118.8° | 120.0° |
| O41 | C35 | C57 | 119.0° | 120.1° |
| C35 | C57 | C40 | 104.4° | 109.5° |
| C35 | C57 | O40 | 112.1° | 109.4° |
| C35 | C57 | H32 | 109.2° | 109.5° |
| C51 | C54 | C45 | 104.1° | 101.8° |
| C54 | C51 | N49 | 103.1° | 105.4° |
| C54 | C51 | H28 | 111.0° | 110.3° |
| C54 | C51 | H29 | 111.1° | 110.3° |
| C51 | C54 | H30 | 110.8° | 111.0° |
| C51 | C54 | H31 | 110.8° | 111.0° |
| C54 | C45 | C42 | 117.8° | 110.5° |
| C54 | C45 | C47 | 101.8° | 104.2° |
| C54 | C45 | H26 | 107.5° | 110.6° |
| C45 | C54 | H30 | 110.8° | 111.0° |
| C45 | C54 | H31 | 110.8° | 111.0° |
| C51 | N49 | C47 | 113.6° | 111.4° |
| C51 | N49 | H27 | 123.2° | 124.3° |
| N49 | C51 | H28 | 111.0° | 110.3° |
| N49 | C51 | H29 | 111.0° | 110.3° |
| N38 | C40 | C57 | 112.0° | 109.5° |
| N38 | C40 | C42 | 110.6° | 109.5° |
| C40 | N38 | H22 | 118.7° | 120.0° |
| N38 | C40 | H23 | 107.2° | 109.5° |
| C57 | C40 | C42 | 113.9° | 109.5° |
| C40 | C57 | O40 | 111.3° | 109.5° |
| C57 | C40 | H23 | 106.3° | 109.4° |
| C40 | C57 | H32 | 109.1° | 109.5° |
| C40 | C42 | C45 | 109.6° | 109.5° |
| C42 | C40 | H23 | 106.4° | 109.5° |
| C40 | C42 | H24 | 109.4° | 109.5° |
| C40 | C42 | H25 | 109.4° | 109.5° |
| O40 | C57 | H32 | 110.6° | 109.4° |
| C57 | O40 | H33 | 109.5° | 114.0° |
| C42 | C45 | C47 | 114.1° | 110.5° |
| C45 | C42 | H24 | 109.5° | 109.5° |
| C45 | C42 | H25 | 109.5° | 109.5° |
| C42 | C45 | H26 | 107.5° | 110.4° |
| C45 | C47 | N49 | 107.9° | 110.1° |
| C45 | C47 | O48 | 126.1° | 124.9° |
| C47 | C45 | H26 | 107.6° | 110.5° |
| N49 | C47 | O48 | 126.0° | 125.0° |
| C47 | N49 | H27 | 123.2° | 124.3° |
| H1 | C31 | H2 | 109.4° | 109.5° |
| H1 | C31 | H3 | 109.5° | 109.5° |
| H2 | C31 | H3 | 109.5° | 109.5° |
| H4 | C32 | H5 | 109.5° | 109.5° |
| H4 | C32 | H6 | 109.5° | 109.4° |
| H5 | C32 | H6 | 109.5° | 109.4° |
| H7 | C33 | H8 | 109.5° | 109.5° |
| H7 | C33 | H9 | 109.5° | 109.4° |
| H8 | C33 | H9 | 109.4° | 109.5° |
| H15 | C22 | H16 | 109.5° | 109.5° |
| H18 | C34 | H19 | 109.5° | 115.6° |
| H20 | C30 | H21 | 109.5° | 115.5° |
| H24 | C42 | H25 | 109.5° | 109.4° |
| H28 | C51 | H29 | 109.5° | 110.2° |
| H30 | C54 | H31 | 109.5° | 110.9° |
| H35 | C13 | H36 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C16 | H12 | 180.0° | 180.0° |
| C17 | C18 | C19 | H11 | 180.0° | 179.9° |
| C18 | C17 | C16 | N15 | 0.9° | 0.3° |
| C17 | C18 | C19 | N23 | 179.8° | 180.0° |
| C17 | C18 | C19 | C21 | 0.1° | 0.2° |
| C18 | C17 | C16 | H13 | 179.1° | 180.0° |
| C16 | C17 | C18 | C19 | 0.2° | 0.0° |
| C17 | C16 | N15 | H13 | 180.0° | 179.7° |
| C17 | C16 | N15 | C21 | 2.2° | 0.2° |
| C17 | C16 | N15 | C20 | 178.5° | 180.0° |
| C16 | C17 | C18 | H11 | 179.8° | 179.9° |
| C23 | C25 | C26 | H39 | 180.0° | 179.7° |
| C25 | C23 | C15 | H40 | 180.0° | 179.8° |
| C23 | C25 | C26 | C28 | 0.1° | 0.0° |
| C25 | C23 | C15 | C14 | 1.0° | 0.5° |
| C23 | C25 | C26 | H38 | 179.9° | 180.0° |
| C25 | C23 | C15 | H41 | 179.0° | 179.9° |
| C26 | C25 | C23 | C15 | 0.5° | 0.3° |
| C25 | C26 | C28 | H38 | 180.0° | 180.0° |
| C25 | C26 | C28 | C14 | 0.3° | 0.0° |
| C25 | C26 | C28 | H37 | 179.7° | 180.0° |
| C26 | C25 | C23 | H40 | 179.5° | 180.0° |
| C18 | C19 | N23 | C21 | 179.9° | 179.8° |
| C18 | C19 | N23 | C24 | 27.2° | 120.4° |
| C18 | C19 | C21 | N15 | 1.1° | 0.2° |
| C18 | C19 | C21 | O22 | 179.5° | 179.8° |
| C18 | C19 | N23 | H10 | 152.8° | 59.6° |
| C19 | C18 | C17 | H12 | 179.8° | 180.0° |
| C23 | C15 | C14 | H41 | 180.0° | 179.5° |
| C23 | C15 | C14 | C28 | 1.2° | 0.5° |
| C23 | C15 | C14 | C13 | 179.1° | 179.7° |
| C15 | C23 | C25 | H39 | 179.6° | 179.9° |
| C16 | N15 | C21 | C19 | 2.2° | 0.0° |
| C16 | N15 | C21 | C20 | 176.4° | 179.8° |
| C16 | N15 | C20 | C22 | 28.6° | 60.0° |
| C16 | N15 | C21 | O22 | 178.3° | 180.0° |
| C16 | N15 | C20 | C36 | 96.5° | 60.0° |
| N15 | C16 | C17 | H12 | 179.1° | 179.7° |
| C16 | N15 | C20 | H14 | 147.4° | 179.9° |
| C26 | C28 | C14 | C15 | 0.9° | 0.3° |
| C26 | C28 | C14 | H37 | 180.0° | 180.0° |
| C26 | C28 | C14 | C13 | 178.8° | 180.0° |
| C28 | C26 | C25 | H39 | 179.9° | 179.7° |
| O26 | C24 | N23 | C19 | 57.8° | 4.7° |
| O26 | C24 | O25 | N23 | 179.7° | 179.7° |
| O26 | C24 | O25 | C27 | 67.1° | 0.0° |
| O26 | C24 | N23 | H10 | 122.2° | 175.3° |
| C15 | C14 | C28 | C13 | 178.0° | 179.7° |
| C15 | C14 | C13 | N36 | 25.2° | 90.2° |
| C15 | C14 | C13 | H35 | 145.9° | 149.8° |
| C15 | C14 | C13 | H36 | 95.6° | 29.7° |
| C15 | C14 | C28 | H37 | 179.1° | 179.8° |
| C14 | C15 | C23 | H40 | 179.0° | 179.7° |
| C19 | N23 | C24 | O25 | 122.0° | 175.0° |
| C19 | N23 | C24 | H10 | 180.0° | 180.0° |
| N23 | C19 | C21 | N15 | 179.0° | 180.0° |
| N23 | C19 | C21 | O22 | 0.5° | 0.0° |
| N23 | C19 | C18 | H11 | 0.2° | 0.1° |
| C21 | C19 | N23 | C24 | 152.7° | 59.8° |
| C19 | C21 | N15 | O22 | 179.5° | 180.0° |
| C19 | C21 | N15 | C20 | 178.6° | 179.8° |
| C21 | C19 | N23 | H10 | 27.3° | 120.1° |
| C21 | C19 | C18 | H11 | 179.9° | 179.7° |
| C24 | O25 | C27 | C31 | 106.3° | 60.0° |
| C24 | O25 | C27 | C32 | 135.7° | 60.0° |
| C24 | O25 | C27 | C33 | 16.0° | 180.0° |
| O25 | C24 | N23 | H10 | 58.0° | 5.0° |
| N23 | C24 | O25 | C27 | 113.2° | 179.8° |
| C31 | C27 | O25 | C32 | 118.0° | 120.0° |
| C31 | C27 | O25 | C33 | 122.3° | 120.0° |
| C31 | C27 | C32 | C33 | 124.4° | 120.0° |
| C27 | C31 | H1 | H2 | 120.0° | 120.0° |
| C27 | C31 | H1 | H3 | 120.0° | 120.0° |
| C27 | C31 | H2 | H3 | 120.0° | 120.0° |
| C31 | C27 | C32 | H4 | 180.0° | 180.0° |
| C31 | C27 | C32 | H5 | 60.0° | 60.0° |
| C31 | C27 | C32 | H6 | 60.0° | 60.0° |
| C31 | C27 | C33 | H7 | 180.0° | 60.0° |
| C31 | C27 | C33 | H8 | 60.0° | 60.0° |
| C31 | C27 | C33 | H9 | 60.0° | 180.0° |
| O25 | C27 | C32 | C33 | 119.1° | 120.0° |
| O25 | C27 | C31 | H1 | 180.0° | 60.0° |
| O25 | C27 | C31 | H2 | 60.0° | 180.0° |
| O25 | C27 | C31 | H3 | 60.0° | 60.0° |
| O25 | C27 | C32 | H4 | 63.5° | 59.9° |
| O25 | C27 | C32 | H5 | 176.5° | 180.0° |
| O25 | C27 | C32 | H6 | 56.5° | 60.0° |
| O25 | C27 | C33 | H7 | 59.3° | 60.0° |
| O25 | C27 | C33 | H8 | 60.7° | 180.0° |
| O25 | C27 | C33 | H9 | 179.3° | 59.9° |
| C28 | C14 | C13 | N36 | 156.9° | 90.0° |
| C28 | C14 | C13 | H35 | 36.2° | 30.0° |
| C28 | C14 | C13 | H36 | 82.3° | 150.0° |
| C14 | C28 | C26 | H38 | 179.6° | 180.0° |
| C28 | C14 | C15 | H41 | 178.8° | 179.9° |
| C21 | N15 | C20 | C22 | 155.0° | 120.3° |
| C21 | N15 | C20 | C36 | 80.0° | 119.8° |
| C21 | N15 | C16 | H13 | 177.8° | 180.0° |
| C21 | N15 | C20 | H14 | 36.1° | 0.3° |
| N15 | C20 | C36 | O37 | 37.9° | 0.0° |
| N15 | C20 | C22 | C29 | 73.5° | 65.0° |
| N15 | C20 | C22 | C36 | 123.8° | 120.0° |
| N15 | C20 | C22 | H14 | 119.2° | 120.0° |
| C20 | N15 | C21 | O22 | 1.9° | 0.2° |
| N15 | C20 | C36 | H14 | 116.5° | 120.1° |
| N15 | C20 | C36 | N38 | 141.6° | 180.0° |
| C20 | N15 | C16 | H13 | 1.5° | 0.3° |
| N15 | C20 | C22 | H15 | 166.0° | 55.0° |
| N15 | C20 | C22 | H16 | 47.1° | 175.0° |
| C14 | C13 | N36 | H35 | 120.7° | 120.0° |
| C14 | C13 | N36 | H36 | 120.8° | 119.9° |
| C14 | C13 | N36 | C35 | 168.2° | 180.0° |
| C14 | C13 | N36 | H34 | 11.9° | 0.0° |
| C14 | C13 | H35 | H36 | 117.7° | 120.0° |
| C13 | C14 | C28 | H37 | 1.2° | 0.0° |
| C13 | C14 | C15 | H41 | 0.9° | 0.2° |
| C29 | C34 | C30 | H18 | 109.5° | 107.5° |
| C29 | C34 | C30 | H19 | 109.5° | 107.5° |
| C34 | C29 | C22 | C30 | 70.5° | 68.7° |
| C34 | C29 | C22 | H17 | 145.4° | 145.7° |
| C34 | C29 | C22 | C20 | 177.7° | 116.4° |
| C34 | C29 | C30 | H17 | 105.6° | 107.5° |
| C34 | C29 | C22 | H15 | 61.7° | 3.6° |
| C34 | C29 | C22 | H16 | 57.1° | 123.6° |
| C29 | C34 | H18 | H19 | 144.7° | 145.8° |
| C29 | C34 | C30 | H20 | 109.5° | 107.5° |
| C29 | C34 | C30 | H21 | 109.5° | 107.5° |
| C30 | C34 | H18 | H19 | 144.7° | 145.6° |
| C34 | C30 | H20 | H21 | 144.7° | 145.6° |
| O37 | C36 | C20 | C22 | 88.8° | 120.0° |
| O37 | C36 | C20 | N38 | 179.5° | 179.9° |
| O37 | C36 | N38 | C40 | 5.7° | 0.0° |
| O37 | C36 | C20 | H14 | 154.3° | 120.0° |
| O37 | C36 | N38 | H22 | 174.3° | 180.0° |
| C29 | C22 | C20 | H15 | 120.5° | 120.0° |
| C29 | C22 | C20 | H16 | 120.6° | 120.0° |
| C22 | C29 | C30 | H17 | 144.0° | 145.0° |
| C29 | C22 | C20 | C36 | 162.8° | 175.0° |
| C29 | C22 | C20 | H14 | 45.8° | 55.0° |
| C29 | C22 | H15 | H16 | 118.3° | 120.0° |
| C22 | C29 | C34 | H18 | 141.5° | 145.1° |
| C22 | C29 | C34 | H19 | 0.6° | 0.1° |
| C22 | C29 | C30 | H20 | 140.1° | 0.0° |
| C22 | C29 | C30 | H21 | 0.9° | 145.0° |
| C20 | C22 | C29 | C30 | 111.8° | 175.0° |
| C22 | C20 | C36 | H14 | 116.9° | 120.0° |
| C22 | C20 | C36 | N38 | 91.7° | 60.1° |
| C20 | C22 | H15 | H16 | 118.3° | 120.0° |
| C20 | C22 | C29 | H17 | 32.2° | 29.3° |
| C30 | C29 | C22 | H15 | 8.7° | 65.0° |
| C30 | C29 | C22 | H16 | 127.6° | 55.0° |
| C29 | C30 | H20 | H21 | 144.6° | 145.7° |
| C32 | C27 | C31 | H1 | 66.4° | 60.0° |
| C32 | C27 | C31 | H2 | 173.7° | 60.0° |
| C32 | C27 | C31 | H3 | 53.7° | 180.0° |
| C27 | C32 | H4 | H5 | 120.0° | 120.0° |
| C27 | C32 | H4 | H6 | 120.0° | 120.0° |
| C27 | C32 | H5 | H6 | 120.0° | 120.0° |
| C32 | C27 | C33 | H7 | 55.9° | 179.9° |
| C32 | C27 | C33 | H8 | 175.9° | 60.0° |
| C32 | C27 | C33 | H9 | 64.1° | 60.0° |
| C33 | C27 | C31 | H1 | 58.1° | 180.0° |
| C33 | C27 | C31 | H2 | 61.9° | 60.0° |
| C33 | C27 | C31 | H3 | 178.1° | 60.0° |
| C33 | C27 | C32 | H4 | 55.6° | 60.0° |
| C33 | C27 | C32 | H5 | 64.4° | 60.1° |
| C33 | C27 | C32 | H6 | 175.6° | 180.0° |
| C27 | C33 | H7 | H8 | 120.0° | 120.0° |
| C27 | C33 | H7 | H9 | 120.0° | 120.0° |
| C27 | C33 | H8 | H9 | 120.0° | 120.1° |
| C13 | N36 | C35 | H34 | 180.0° | 180.0° |
| C13 | N36 | C35 | O41 | 112.7° | 0.0° |
| C13 | N36 | C35 | C57 | 70.0° | 180.0° |
| N36 | C13 | H35 | H36 | 117.7° | 120.0° |
| N36 | C35 | O41 | C57 | 177.3° | 180.0° |
| N36 | C35 | C57 | C40 | 93.1° | 65.0° |
| N36 | C35 | C57 | O40 | 27.5° | 175.0° |
| N36 | C35 | C57 | H32 | 150.4° | 55.1° |
| C35 | N36 | C13 | H35 | 71.1° | 60.0° |
| C35 | N36 | C13 | H36 | 47.4° | 60.0° |
| C20 | C36 | N38 | C40 | 173.7° | 180.0° |
| C36 | C20 | C22 | H15 | 42.2° | 65.0° |
| C36 | C20 | C22 | H16 | 76.7° | 55.0° |
| C20 | C36 | N38 | H22 | 6.3° | 0.1° |
| C36 | N38 | C40 | H22 | 180.0° | 180.0° |
| C36 | N38 | C40 | C57 | 114.1° | 154.9° |
| C36 | N38 | C40 | C42 | 117.8° | 85.0° |
| N38 | C36 | C20 | H14 | 25.2° | 59.9° |
| C36 | N38 | C40 | H23 | 2.2° | 35.0° |
| O41 | C35 | C57 | C40 | 84.3° | 114.9° |
| O41 | C35 | C57 | O40 | 155.2° | 5.0° |
| O41 | C35 | C57 | H32 | 32.2° | 125.0° |
| O41 | C35 | N36 | H34 | 67.2° | 180.0° |
| C35 | C57 | C40 | N38 | 59.4° | 175.0° |
| C35 | C57 | C40 | O40 | 121.1° | 120.0° |
| C35 | C57 | C40 | H32 | 116.6° | 120.0° |
| C35 | C57 | C40 | C42 | 174.2° | 65.0° |
| C35 | C57 | O40 | H32 | 122.1° | 119.9° |
| C35 | C57 | C40 | H23 | 57.3° | 55.1° |
| C35 | C57 | O40 | H33 | 180.0° | 60.1° |
| C57 | C35 | N36 | H34 | 110.0° | 0.0° |
| C51 | C54 | C45 | H30 | 119.1° | 118.1° |
| C51 | C54 | C45 | H31 | 119.1° | 118.1° |
| C54 | C51 | N49 | H28 | 119.0° | 119.0° |
| C54 | C51 | N49 | H29 | 119.0° | 119.0° |
| C51 | C54 | C45 | C42 | 155.7° | 143.5° |
| C51 | C54 | C45 | C47 | 30.2° | 24.8° |
| C54 | C51 | N49 | C47 | 6.2° | 17.0° |
| C51 | C54 | C45 | H26 | 82.8° | 93.9° |
| C54 | C51 | N49 | H27 | 173.8° | 163.0° |
| C54 | C51 | H28 | H29 | 123.0° | 122.0° |
| C51 | C54 | H30 | H31 | 122.5° | 123.8° |
| C45 | C54 | C51 | N49 | 23.0° | 25.4° |
| C54 | C45 | C42 | C40 | 47.6° | 178.8° |
| C54 | C45 | C42 | C47 | 119.3° | 114.8° |
| C54 | C45 | C42 | H26 | 121.5° | 122.7° |
| C54 | C45 | C47 | H26 | 112.9° | 118.8° |
| C54 | C45 | C47 | N49 | 27.5° | 16.3° |
| C54 | C45 | C47 | O48 | 152.9° | 163.8° |
| C54 | C45 | C42 | H24 | 72.4° | 58.8° |
| C54 | C45 | C42 | H25 | 167.6° | 61.2° |
| C45 | C54 | C51 | H28 | 95.9° | 144.4° |
| C45 | C54 | C51 | H29 | 142.0° | 93.6° |
| C45 | C54 | H30 | H31 | 122.5° | 123.8° |
| C51 | N49 | C47 | C45 | 13.7° | 0.4° |
| C51 | N49 | C47 | H27 | 180.0° | 180.0° |
| C51 | N49 | C47 | O48 | 166.7° | 179.5° |
| N49 | C51 | H28 | H29 | 122.9° | 122.0° |
| N49 | C51 | C54 | H30 | 96.1° | 143.5° |
| N49 | C51 | C54 | H31 | 142.2° | 92.7° |
| N38 | C40 | C57 | C42 | 126.4° | 120.0° |
| N38 | C40 | C57 | H23 | 116.7° | 120.0° |
| N38 | C40 | C42 | H23 | 116.1° | 120.0° |
| N38 | C40 | C57 | O40 | 179.5° | 65.0° |
| N38 | C40 | C42 | C45 | 123.7° | 65.0° |
| N38 | C40 | C42 | H24 | 3.7° | 55.0° |
| N38 | C40 | C42 | H25 | 116.2° | 175.0° |
| N38 | C40 | C57 | H32 | 57.2° | 55.0° |
| C57 | C40 | C42 | H23 | 116.8° | 120.0° |
| C40 | C57 | O40 | H32 | 121.4° | 120.0° |
| C57 | C40 | C42 | C45 | 109.1° | 175.0° |
| C57 | C40 | N38 | H22 | 65.9° | 25.0° |
| C57 | C40 | C42 | H24 | 130.8° | 65.0° |
| C57 | C40 | C42 | H25 | 10.9° | 54.9° |
| C40 | C57 | O40 | H33 | 63.6° | 59.9° |
| C42 | C40 | C57 | O40 | 53.1° | 55.0° |
| C40 | C42 | C45 | H24 | 120.0° | 120.0° |
| C40 | C42 | C45 | H25 | 120.0° | 120.0° |
| C40 | C42 | C45 | C47 | 166.8° | 66.5° |
| C42 | C40 | N38 | H22 | 62.2° | 95.0° |
| C40 | C42 | H24 | H25 | 119.9° | 120.0° |
| C40 | C42 | C45 | H26 | 73.9° | 56.1° |
| C42 | C40 | C57 | H32 | 69.2° | 175.0° |
| O40 | C57 | C40 | H23 | 63.8° | 175.0° |
| C42 | C45 | C47 | H26 | 119.2° | 122.5° |
| C42 | C45 | C47 | N49 | 155.5° | 135.0° |
| C42 | C45 | C47 | O48 | 24.9° | 45.1° |
| C45 | C42 | C40 | H23 | 7.6° | 55.0° |
| C45 | C42 | H24 | H25 | 120.0° | 120.0° |
| C42 | C45 | C54 | H30 | 36.6° | 98.4° |
| C42 | C45 | C54 | H31 | 85.2° | 25.3° |
| C45 | C47 | N49 | O48 | 179.6° | 179.9° |
| C47 | C45 | C42 | H24 | 46.8° | 173.5° |
| C47 | C45 | C42 | H25 | 73.1° | 53.6° |
| C45 | C47 | N49 | H27 | 166.3° | 179.6° |
| C47 | C45 | C54 | H30 | 89.0° | 142.9° |
| C47 | C45 | C54 | H31 | 149.3° | 93.3° |
| N49 | C47 | C45 | H26 | 85.4° | 102.6° |
| C47 | N49 | C51 | H28 | 112.8° | 136.0° |
| C47 | N49 | C51 | H29 | 125.2° | 102.0° |
| O48 | C47 | C45 | H26 | 94.2° | 77.4° |
| O48 | C47 | N49 | H27 | 13.3° | 0.5° |
| H1 | C31 | H2 | H3 | 120.0° | 120.0° |
| H4 | C32 | H5 | H6 | 120.0° | 120.0° |
| H7 | C33 | H8 | H9 | 120.0° | 120.0° |
| H11 | C18 | C17 | H12 | 0.2° | 0.1° |
| H12 | C17 | C16 | H13 | 0.9° | 0.0° |
| H14 | C20 | C22 | H15 | 74.8° | 175.0° |
| H14 | C20 | C22 | H16 | 166.3° | 65.0° |
| H15 | C22 | C29 | H17 | 152.8° | 149.3° |
| H16 | C22 | C29 | H17 | 88.3° | 90.6° |
| H17 | C29 | C34 | H18 | 3.8° | 0.1° |
| H17 | C29 | C34 | H19 | 144.8° | 145.1° |
| H17 | C29 | C30 | H20 | 3.9° | 145.0° |
| H17 | C29 | C30 | H21 | 144.9° | 0.0° |
| H18 | C34 | C30 | H20 | 0.0° | 145.0° |
| H18 | C34 | C30 | H21 | 141.0° | 0.0° |
| H19 | C34 | C30 | H20 | 141.0° | 0.0° |
| H19 | C34 | C30 | H21 | 0.0° | 145.0° |
| H22 | N38 | C40 | H23 | 177.8° | 145.0° |
| H23 | C40 | C42 | H24 | 112.4° | 175.0° |
| H23 | C40 | C42 | H25 | 127.7° | 65.0° |
| H23 | C40 | C57 | H32 | 173.9° | 65.0° |
| H24 | C42 | C45 | H26 | 166.1° | 63.9° |
| H25 | C42 | C45 | H26 | 46.1° | 176.1° |
| H26 | C45 | C54 | H30 | 158.1° | 24.2° |
| H26 | C45 | C54 | H31 | 36.3° | 147.9° |
| H27 | N49 | C51 | H28 | 67.2° | 44.0° |
| H27 | N49 | C51 | H29 | 54.8° | 78.0° |
| H28 | C51 | C54 | H30 | 144.9° | 97.5° |
| H28 | C51 | C54 | H31 | 23.2° | 26.3° |
| H29 | C51 | C54 | H30 | 22.9° | 24.5° |
| H29 | C51 | C54 | H31 | 98.9° | 148.3° |
| H32 | C57 | O40 | H33 | 57.8° | 180.0° |
| H34 | N36 | C13 | H35 | 108.9° | 120.0° |
| H34 | N36 | C13 | H36 | 132.6° | 119.9° |
| H37 | C28 | C26 | H38 | 0.4° | 0.0° |
| H38 | C26 | C25 | H39 | 0.1° | 0.3° |
| H39 | C25 | C23 | H40 | 0.5° | 0.3° |
| H40 | C23 | C15 | H41 | 1.0° | 0.2° |
