HWE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.50Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C18 | C20 | sing | 1.51Å | 1.51Å | |
| C12 | C13 | sing | 1.53Å | 1.49Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C20 | N2 | sing | 1.36Å | 1.35Å | |
| C20 | O3 | doub | 1.21Å | 1.27Å | |
| N2 | C19 | sing | 1.47Å | 1.43Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| O | C | sing | 1.43Å | 1.45Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.50Å | 1.53Å | |
| C19 | C | sing | 1.53Å | 1.57Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| O2 | C2 | doub | 1.24Å | 1.25Å | |
| C2 | N | sing | 1.34Å | 1.36Å | |
| C27 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| O1 | C7 | doub | 1.21Å | 1.24Å | |
| C21 | C22 | sing | 1.51Å | 1.48Å | |
| C22 | C23 | doub | 1.38Å | 1.37Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | N1 | sing | 1.48Å | 1.46Å | |
| C23 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| N | C3 | sing | 1.46Å | 1.44Å | |
| C7 | N1 | sing | 1.36Å | 1.35Å | |
| C7 | C3 | sing | 1.51Å | 1.55Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C6 | C4 | sing | 1.53Å | 1.50Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.10Å | 1.10Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.10Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.08Å | 1.08Å | |
| C24 | H27 | sing | 1.08Å | 1.08Å | |
| C25 | H28 | sing | 1.08Å | 1.08Å | |
| C26 | H29 | sing | 1.08Å | 1.08Å | |
| C27 | H30 | sing | 1.08Å | 1.08Å | |
| C | H31 | sing | 1.09Å | 1.10Å | |
| O | H32 | sing | 0.97Å | 0.95Å | |
| N2 | H33 | sing | 0.98Å | 1.00Å | |
| N | H34 | sing | 1.00Å | 1.00Å | |
| C3 | H35 | sing | 1.10Å | 1.10Å | |
| C8 | H36 | sing | 1.09Å | 1.10Å | |
| C8 | H37 | sing | 1.09Å | 1.10Å | |
| C9 | H38 | sing | 1.09Å | 1.10Å | |
| C9 | H39 | sing | 1.09Å | 1.10Å | |
| C10 | H40 | sing | 1.09Å | 1.10Å | |
| C10 | H41 | sing | 1.09Å | 1.10Å | |
| C11 | H42 | sing | 1.09Å | 1.10Å | |
| C11 | H43 | sing | 1.09Å | 1.10Å | |
| C12 | H44 | sing | 1.09Å | 1.10Å | |
| C12 | H45 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C16 | 110.9° | 109.4° |
| C15 | C14 | C13 | 117.1° | 109.6° |
| C15 | C14 | H13 | 107.6° | 109.5° |
| C15 | C14 | H14 | 107.5° | 109.4° |
| C14 | C15 | H15 | 109.1° | 109.5° |
| C14 | C15 | H16 | 109.1° | 109.4° |
| C15 | C16 | C17 | 112.8° | 109.6° |
| C16 | C15 | H15 | 109.1° | 109.5° |
| C16 | C15 | H16 | 109.1° | 109.6° |
| C15 | C16 | H17 | 108.6° | 109.5° |
| C15 | C16 | H18 | 108.7° | 109.3° |
| C14 | C13 | C12 | 114.5° | 109.4° |
| C14 | C13 | H11 | 108.2° | 109.4° |
| C14 | C13 | H12 | 108.2° | 109.5° |
| C13 | C14 | H13 | 107.5° | 109.5° |
| C13 | C14 | H14 | 107.5° | 109.4° |
| C16 | C17 | C18 | 115.6° | 109.7° |
| C17 | C16 | H17 | 108.6° | 109.7° |
| C17 | C16 | H18 | 108.6° | 109.4° |
| C16 | C17 | H19 | 107.9° | 109.3° |
| C16 | C17 | H20 | 107.9° | 109.4° |
| C17 | C18 | C20 | 109.2° | 109.7° |
| C18 | C17 | H19 | 107.9° | 109.4° |
| C18 | C17 | H20 | 107.9° | 109.8° |
| C17 | C18 | H21 | 109.6° | 109.6° |
| C17 | C18 | H22 | 109.5° | 109.6° |
| C18 | C20 | N2 | 114.7° | 118.9° |
| C18 | C20 | O3 | 122.8° | 119.5° |
| C20 | C18 | H21 | 109.5° | 109.2° |
| C20 | C18 | H22 | 109.5° | 109.3° |
| C13 | C12 | C11 | 115.0° | 109.5° |
| C12 | C13 | H11 | 108.2° | 109.5° |
| C12 | C13 | H12 | 108.2° | 109.5° |
| C13 | C12 | H44 | 108.1° | 109.4° |
| C13 | C12 | H45 | 108.1° | 109.5° |
| C12 | C11 | C10 | 113.6° | 109.7° |
| C12 | C11 | H42 | 108.4° | 109.4° |
| C12 | C11 | H43 | 108.4° | 109.6° |
| C11 | C12 | H44 | 108.1° | 109.4° |
| C11 | C12 | H45 | 108.1° | 109.7° |
| C11 | C10 | C9 | 112.0° | 109.3° |
| C11 | C10 | H40 | 108.8° | 109.6° |
| C11 | C10 | H41 | 108.8° | 109.5° |
| C10 | C11 | H42 | 108.4° | 109.4° |
| C10 | C11 | H43 | 108.4° | 109.4° |
| N2 | C20 | O3 | 122.5° | 121.6° |
| C20 | N2 | C19 | 123.5° | 118.4° |
| C20 | N2 | H33 | 118.2° | 120.7° |
| N2 | C19 | C | 109.2° | 109.3° |
| N2 | C19 | C21 | 112.3° | 110.4° |
| N2 | C19 | H23 | 110.0° | 109.0° |
| C19 | N2 | H33 | 118.2° | 120.9° |
| C10 | C9 | C8 | 118.6° | 109.6° |
| C10 | C9 | H38 | 107.1° | 109.5° |
| C10 | C9 | H39 | 107.1° | 109.4° |
| C9 | C10 | H40 | 108.8° | 109.4° |
| C9 | C10 | H41 | 108.8° | 109.4° |
| O | C | C1 | 107.2° | 109.9° |
| O | C | C19 | 109.6° | 109.0° |
| O | C | H31 | 109.7° | 109.3° |
| C | O | H32 | 109.5° | 114.0° |
| C | C1 | C2 | 114.1° | 110.8° |
| C1 | C | C19 | 113.5° | 109.8° |
| C | C1 | H1 | 108.3° | 110.3° |
| C | C1 | H2 | 108.3° | 108.5° |
| C1 | C | H31 | 108.7° | 109.3° |
| C1 | C2 | O2 | 122.3° | 116.9° |
| C1 | C2 | N | 117.3° | 126.0° |
| C2 | C1 | H1 | 108.3° | 111.2° |
| C2 | C1 | H2 | 108.3° | 108.6° |
| C | C19 | C21 | 108.6° | 110.3° |
| C | C19 | H23 | 108.1° | 108.8° |
| C19 | C | H31 | 108.1° | 109.4° |
| C19 | C21 | C22 | 114.5° | 109.5° |
| C21 | C19 | H23 | 108.6° | 109.0° |
| C19 | C21 | H24 | 108.2° | 109.4° |
| C19 | C21 | H25 | 108.2° | 109.5° |
| C9 | C8 | N1 | 108.5° | 108.6° |
| C9 | C8 | H36 | 109.7° | 109.6° |
| C9 | C8 | H37 | 109.7° | 109.7° |
| C8 | C9 | H38 | 107.2° | 109.4° |
| C8 | C9 | H39 | 107.2° | 109.5° |
| O2 | C2 | N | 120.2° | 117.1° |
| C2 | N | C3 | 122.0° | 125.9° |
| C2 | N | H34 | 119.0° | 116.8° |
| C26 | C27 | C22 | 119.6° | 120.0° |
| C27 | C26 | C25 | 121.1° | 120.0° |
| C27 | C26 | H29 | 119.4° | 120.0° |
| C26 | C27 | H30 | 120.2° | 120.0° |
| C27 | C22 | C21 | 117.5° | 120.0° |
| C27 | C22 | C23 | 120.0° | 120.0° |
| C22 | C27 | H30 | 120.2° | 120.0° |
| C26 | C25 | C24 | 118.7° | 120.0° |
| C26 | C25 | H28 | 120.7° | 120.0° |
| C25 | C26 | H29 | 119.5° | 120.0° |
| O1 | C7 | N1 | 123.9° | 120.7° |
| O1 | C7 | C3 | 120.1° | 120.0° |
| C21 | C22 | C23 | 122.5° | 120.0° |
| C22 | C21 | H24 | 108.2° | 109.5° |
| C22 | C21 | H25 | 108.2° | 109.5° |
| C22 | C23 | C24 | 120.7° | 120.0° |
| C22 | C23 | H26 | 119.7° | 120.0° |
| C25 | C24 | C23 | 119.9° | 120.0° |
| C25 | C24 | H27 | 120.0° | 120.0° |
| C24 | C25 | H28 | 120.7° | 120.0° |
| C8 | N1 | C7 | 124.7° | 114.8° |
| C8 | N1 | H3 | 117.7° | 122.3° |
| N1 | C8 | H36 | 109.7° | 109.6° |
| N1 | C8 | H37 | 109.7° | 109.7° |
| C24 | C23 | H26 | 119.7° | 119.9° |
| C23 | C24 | H27 | 120.1° | 120.1° |
| N | C3 | C7 | 106.0° | 108.0° |
| N | C3 | C4 | 113.7° | 113.1° |
| C3 | N | H34 | 119.0° | 117.2° |
| N | C3 | H35 | 109.4° | 109.8° |
| N1 | C7 | C3 | 116.0° | 119.2° |
| C7 | N1 | H3 | 117.6° | 122.9° |
| C7 | C3 | C4 | 111.6° | 108.5° |
| C7 | C3 | H35 | 108.0° | 108.3° |
| C3 | C4 | C6 | 114.8° | 109.5° |
| C3 | C4 | C5 | 110.8° | 109.5° |
| C3 | C4 | H4 | 105.9° | 109.5° |
| C4 | C3 | H35 | 108.0° | 109.0° |
| C6 | C4 | C5 | 112.2° | 109.5° |
| C6 | C4 | H4 | 106.4° | 109.5° |
| C4 | C6 | H8 | 109.5° | 109.5° |
| C4 | C6 | H9 | 109.5° | 109.4° |
| C4 | C6 | H10 | 109.5° | 109.5° |
| C5 | C4 | H4 | 106.1° | 109.5° |
| C4 | C5 | H5 | 109.5° | 109.4° |
| C4 | C5 | H6 | 109.5° | 109.5° |
| C4 | C5 | H7 | 109.4° | 109.4° |
| H1 | C1 | H2 | 109.4° | 107.3° |
| H5 | C5 | H6 | 109.5° | 109.5° |
| H5 | C5 | H7 | 109.4° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.4° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H8 | C6 | H10 | 109.4° | 109.5° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| H11 | C13 | H12 | 109.4° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.4° |
| H15 | C15 | H16 | 109.4° | 109.5° |
| H17 | C16 | H18 | 109.4° | 109.3° |
| H19 | C17 | H20 | 109.5° | 109.2° |
| H21 | C18 | H22 | 109.5° | 109.4° |
| H24 | C21 | H25 | 109.5° | 109.5° |
| H36 | C8 | H37 | 109.5° | 109.6° |
| H38 | C9 | H39 | 109.5° | 109.4° |
| H40 | C10 | H41 | 109.5° | 109.5° |
| H42 | C11 | H43 | 109.5° | 109.3° |
| H44 | C12 | H45 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C16 | H15 | 120.2° | 120.0° |
| C14 | C15 | C16 | H16 | 120.2° | 119.9° |
| C15 | C14 | C13 | H13 | 121.1° | 120.1° |
| C15 | C14 | C13 | H14 | 121.1° | 120.0° |
| C14 | C15 | C16 | C17 | 177.9° | 139.1° |
| C15 | C14 | C13 | C12 | 106.5° | 156.7° |
| C15 | C14 | C13 | H11 | 14.3° | 36.7° |
| C15 | C14 | C13 | H12 | 132.8° | 83.3° |
| C15 | C14 | H13 | H14 | 116.6° | 120.0° |
| C14 | C15 | H15 | H16 | 119.3° | 119.9° |
| C14 | C15 | C16 | H17 | 61.6° | 18.7° |
| C14 | C15 | C16 | H18 | 57.4° | 101.1° |
| C16 | C15 | C14 | C13 | 70.2° | 163.5° |
| C15 | C16 | C17 | H17 | 120.5° | 120.3° |
| C15 | C16 | C17 | H18 | 120.5° | 119.8° |
| C15 | C16 | C17 | C18 | 170.2° | 129.2° |
| C16 | C15 | C14 | H13 | 50.9° | 43.4° |
| C16 | C15 | C14 | H14 | 168.8° | 76.5° |
| C16 | C15 | H15 | H16 | 119.3° | 120.1° |
| C15 | C16 | H17 | H18 | 118.5° | 119.8° |
| C15 | C16 | C17 | H19 | 68.9° | 110.8° |
| C15 | C16 | C17 | H20 | 49.3° | 8.7° |
| C14 | C13 | C12 | H11 | 120.7° | 120.0° |
| C14 | C13 | C12 | H12 | 120.8° | 120.0° |
| C14 | C13 | C12 | C11 | 175.8° | 147.4° |
| C14 | C13 | H11 | H12 | 117.7° | 120.0° |
| C13 | C14 | H13 | H14 | 116.6° | 119.9° |
| C13 | C14 | C15 | H15 | 50.1° | 76.5° |
| C13 | C14 | C15 | H16 | 169.6° | 43.5° |
| C14 | C13 | C12 | H44 | 54.9° | 92.8° |
| C14 | C13 | C12 | H45 | 63.4° | 27.1° |
| C16 | C17 | C18 | H19 | 120.9° | 120.0° |
| C16 | C17 | C18 | H20 | 120.9° | 120.3° |
| C16 | C17 | C18 | C20 | 50.5° | 139.9° |
| C17 | C16 | C15 | H15 | 57.6° | 100.9° |
| C17 | C16 | C15 | H16 | 61.9° | 19.2° |
| C17 | C16 | H17 | H18 | 118.5° | 119.9° |
| C16 | C17 | H19 | H20 | 117.2° | 119.6° |
| C16 | C17 | C18 | H21 | 170.5° | 20.0° |
| C16 | C17 | C18 | H22 | 69.4° | 100.1° |
| C17 | C18 | C20 | H21 | 120.0° | 120.1° |
| C17 | C18 | C20 | H22 | 119.9° | 120.2° |
| C17 | C18 | C20 | N2 | 117.0° | 175.1° |
| C17 | C18 | C20 | O3 | 63.8° | 4.9° |
| C18 | C17 | C16 | H17 | 49.7° | 8.9° |
| C18 | C17 | C16 | H18 | 69.3° | 111.0° |
| C18 | C17 | H19 | H20 | 117.2° | 120.2° |
| C17 | C18 | H21 | H22 | 120.1° | 120.2° |
| C18 | C20 | N2 | O3 | 179.3° | 179.9° |
| C18 | C20 | N2 | C19 | 178.6° | 176.0° |
| C20 | C18 | C17 | H19 | 70.4° | 100.2° |
| C20 | C18 | C17 | H20 | 171.4° | 19.6° |
| C20 | C18 | H21 | H22 | 120.1° | 119.6° |
| C18 | C20 | N2 | H33 | 1.4° | 4.1° |
| C13 | C12 | C11 | H44 | 120.8° | 119.8° |
| C13 | C12 | C11 | H45 | 120.8° | 120.2° |
| C13 | C12 | C11 | C10 | 64.2° | 133.7° |
| C12 | C13 | H11 | H12 | 117.7° | 120.1° |
| C12 | C13 | C14 | H13 | 132.4° | 36.6° |
| C12 | C13 | C14 | H14 | 14.6° | 83.3° |
| C13 | C12 | C11 | H42 | 56.4° | 106.3° |
| C13 | C12 | C11 | H43 | 175.2° | 13.5° |
| C13 | C12 | H44 | H45 | 117.5° | 119.9° |
| C12 | C11 | C10 | H42 | 120.6° | 120.0° |
| C12 | C11 | C10 | H43 | 120.6° | 120.2° |
| C12 | C11 | C10 | C9 | 174.1° | 139.2° |
| C11 | C12 | C13 | H11 | 63.5° | 27.4° |
| C11 | C12 | C13 | H12 | 55.0° | 92.6° |
| C12 | C11 | C10 | H40 | 53.7° | 19.2° |
| C12 | C11 | C10 | H41 | 65.5° | 101.0° |
| C12 | C11 | H42 | H43 | 118.1° | 120.0° |
| C11 | C12 | H44 | H45 | 117.5° | 120.1° |
| C11 | C10 | C9 | H40 | 120.4° | 120.1° |
| C11 | C10 | C9 | H41 | 120.4° | 119.9° |
| C11 | C10 | C9 | C8 | 66.3° | 176.5° |
| C11 | C10 | C9 | H38 | 55.0° | 56.5° |
| C11 | C10 | C9 | H39 | 172.3° | 63.4° |
| C11 | C10 | H40 | H41 | 118.8° | 120.2° |
| C10 | C11 | H42 | H43 | 118.1° | 119.8° |
| C10 | C11 | C12 | H44 | 175.0° | 106.5° |
| C10 | C11 | C12 | H45 | 56.6° | 13.5° |
| C20 | N2 | C19 | H33 | 180.0° | 179.9° |
| C20 | N2 | C19 | C | 126.7° | 51.4° |
| C20 | N2 | C19 | C21 | 112.8° | 70.1° |
| N2 | C20 | C18 | H21 | 123.1° | 64.8° |
| N2 | C20 | C18 | H22 | 3.0° | 54.9° |
| C20 | N2 | C19 | H23 | 8.2° | 170.2° |
| O3 | C20 | N2 | C19 | 2.2° | 4.0° |
| O3 | C20 | C18 | H21 | 56.2° | 115.2° |
| O3 | C20 | C18 | H22 | 176.3° | 125.1° |
| O3 | C20 | N2 | H33 | 177.9° | 176.0° |
| N2 | C19 | C | O | 54.1° | 31.9° |
| N2 | C19 | C | C1 | 65.7° | 152.4° |
| N2 | C19 | C | C21 | 122.7° | 121.5° |
| N2 | C19 | C | H23 | 119.6° | 118.9° |
| N2 | C19 | C21 | H23 | 121.8° | 119.7° |
| N2 | C19 | C21 | C22 | 62.5° | 64.2° |
| N2 | C19 | C21 | H24 | 58.2° | 55.8° |
| N2 | C19 | C21 | H25 | 176.7° | 175.8° |
| N2 | C19 | C | H31 | 173.6° | 87.6° |
| C10 | C9 | C8 | H38 | 121.3° | 120.1° |
| C10 | C9 | C8 | H39 | 121.3° | 120.1° |
| C10 | C9 | C8 | N1 | 62.1° | 142.6° |
| C10 | C9 | C8 | H36 | 57.8° | 22.9° |
| C10 | C9 | C8 | H37 | 178.1° | 97.5° |
| C10 | C9 | H38 | H39 | 115.8° | 119.9° |
| C9 | C10 | H40 | H41 | 118.9° | 119.9° |
| C9 | C10 | C11 | H42 | 65.3° | 100.8° |
| C9 | C10 | C11 | H43 | 53.5° | 19.0° |
| O | C | C1 | C19 | 121.2° | 119.9° |
| O | C | C1 | H31 | 118.5° | 120.0° |
| O | C | C1 | C2 | 168.6° | 14.2° |
| O | C | C19 | H31 | 119.5° | 119.5° |
| O | C | C19 | C21 | 68.7° | 153.5° |
| O | C | C1 | H1 | 47.9° | 109.4° |
| O | C | C1 | H2 | 70.7° | 133.4° |
| O | C | C19 | H23 | 173.7° | 87.0° |
| C | C1 | C2 | H1 | 120.7° | 123.1° |
| C | C1 | C2 | H2 | 120.7° | 119.1° |
| C1 | C | C19 | H31 | 120.7° | 120.0° |
| C1 | C | C19 | C21 | 171.5° | 86.0° |
| C | C1 | C2 | O2 | 93.0° | 125.5° |
| C | C1 | C2 | N | 81.3° | 54.5° |
| C | C1 | H1 | H2 | 117.9° | 117.9° |
| C1 | C | C19 | H23 | 53.9° | 33.5° |
| C1 | C | O | H32 | 180.0° | 46.9° |
| C2 | C1 | C | C19 | 70.2° | 105.7° |
| C1 | C2 | O2 | N | 174.2° | 180.0° |
| C1 | C2 | N | C3 | 178.5° | 55.3° |
| C2 | C1 | H1 | H2 | 117.9° | 118.7° |
| C2 | C1 | C | H31 | 50.1° | 134.2° |
| C1 | C2 | N | H34 | 1.5° | 125.1° |
| C | C19 | C21 | H23 | 117.3° | 119.4° |
| C | C19 | C21 | C22 | 176.6° | 175.0° |
| C19 | C | C1 | H1 | 169.1° | 130.6° |
| C19 | C | C1 | H2 | 50.5° | 13.5° |
| C | C19 | C21 | H24 | 62.6° | 65.1° |
| C | C19 | C21 | H25 | 55.9° | 55.0° |
| C19 | C | O | H32 | 56.3° | 167.3° |
| C | C19 | N2 | H33 | 53.3° | 128.7° |
| C19 | C21 | C22 | C27 | 128.5° | 90.3° |
| C19 | C21 | C22 | H24 | 120.8° | 119.9° |
| C19 | C21 | C22 | H25 | 120.7° | 120.0° |
| C19 | C21 | C22 | C23 | 54.3° | 90.0° |
| C19 | C21 | H24 | H25 | 117.7° | 120.0° |
| C21 | C19 | C | H31 | 50.8° | 33.9° |
| C21 | C19 | N2 | H33 | 67.2° | 109.9° |
| C9 | C8 | N1 | H36 | 119.9° | 119.7° |
| C9 | C8 | N1 | H37 | 119.8° | 119.9° |
| C9 | C8 | N1 | C7 | 108.1° | 77.4° |
| C9 | C8 | N1 | H3 | 71.9° | 101.9° |
| C9 | C8 | H36 | H37 | 120.4° | 120.5° |
| C8 | C9 | H38 | H39 | 115.9° | 120.0° |
| C8 | C9 | C10 | H40 | 173.3° | 63.4° |
| C8 | C9 | C10 | H41 | 54.0° | 56.6° |
| O2 | C2 | N | C3 | 7.0° | 124.7° |
| O2 | C2 | C1 | H1 | 146.3° | 111.5° |
| O2 | C2 | C1 | H2 | 27.7° | 6.4° |
| O2 | C2 | N | H34 | 173.0° | 54.9° |
| C2 | N | C3 | H34 | 180.0° | 179.5° |
| C2 | N | C3 | C7 | 71.4° | 165.7° |
| C2 | N | C3 | C4 | 165.6° | 45.6° |
| N | C2 | C1 | H1 | 39.4° | 68.6° |
| N | C2 | C1 | H2 | 158.0° | 173.6° |
| C2 | N | C3 | H35 | 44.8° | 76.4° |
| C26 | C27 | C22 | H30 | 180.0° | 179.4° |
| C27 | C26 | C25 | H29 | 180.0° | 179.7° |
| C26 | C27 | C22 | C21 | 176.3° | 179.7° |
| C26 | C27 | C22 | C23 | 1.0° | 0.6° |
| C27 | C26 | C25 | C24 | 3.5° | 0.3° |
| C27 | C26 | C25 | H28 | 176.5° | 179.8° |
| C22 | C27 | C26 | C25 | 3.2° | 0.6° |
| C27 | C22 | C21 | C23 | 177.2° | 179.7° |
| C27 | C22 | C23 | C24 | 0.9° | 0.3° |
| C27 | C22 | C21 | H24 | 7.7° | 149.8° |
| C27 | C22 | C21 | H25 | 110.8° | 29.7° |
| C27 | C22 | C23 | H26 | 179.2° | 179.7° |
| C22 | C27 | C26 | H29 | 176.8° | 179.7° |
| C26 | C25 | C24 | H28 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 1.6° | 0.1° |
| C26 | C25 | C24 | H27 | 178.4° | 180.0° |
| C25 | C26 | C27 | H30 | 176.8° | 180.0° |
| O1 | C7 | N1 | C8 | 2.1° | 7.7° |
| O1 | C7 | C3 | N | 35.5° | 20.7° |
| O1 | C7 | N1 | C3 | 178.7° | 179.5° |
| O1 | C7 | C3 | C4 | 88.8° | 102.2° |
| O1 | C7 | N1 | H3 | 177.9° | 172.9° |
| O1 | C7 | C3 | H35 | 152.6° | 139.6° |
| C21 | C22 | C23 | C24 | 178.0° | 180.0° |
| C22 | C21 | C19 | H23 | 59.3° | 55.6° |
| C22 | C21 | H24 | H25 | 117.7° | 120.0° |
| C21 | C22 | C23 | H26 | 2.0° | 0.0° |
| C21 | C22 | C27 | H30 | 3.7° | 0.3° |
| C22 | C23 | C24 | C25 | 0.5° | 0.1° |
| C22 | C23 | C24 | H26 | 180.0° | 179.9° |
| C23 | C22 | C21 | H24 | 175.1° | 29.9° |
| C23 | C22 | C21 | H25 | 66.4° | 150.0° |
| C22 | C23 | C24 | H27 | 179.5° | 180.0° |
| C23 | C22 | C27 | H30 | 179.0° | 180.0° |
| C25 | C24 | C23 | H27 | 180.0° | 179.9° |
| C25 | C24 | C23 | H26 | 179.5° | 180.0° |
| C24 | C25 | C26 | H29 | 176.5° | 180.0° |
| C8 | N1 | C7 | H3 | 180.0° | 179.4° |
| C8 | N1 | C7 | C3 | 176.6° | 171.8° |
| N1 | C8 | H36 | H37 | 120.4° | 120.4° |
| N1 | C8 | C9 | H38 | 176.6° | 97.3° |
| N1 | C8 | C9 | H39 | 59.2° | 22.6° |
| C23 | C24 | C25 | H28 | 178.4° | 180.0° |
| N | C3 | C7 | N1 | 145.8° | 159.8° |
| N | C3 | C7 | C4 | 124.3° | 122.9° |
| N | C3 | C7 | H35 | 117.1° | 118.8° |
| N | C3 | C4 | H35 | 121.5° | 122.4° |
| N | C3 | C4 | C6 | 66.4° | 160.6° |
| N | C3 | C4 | C5 | 165.2° | 79.4° |
| N | C3 | C4 | H4 | 50.6° | 40.6° |
| N1 | C7 | C3 | C4 | 89.9° | 77.3° |
| N1 | C7 | C3 | H35 | 28.6° | 40.9° |
| C7 | N1 | C8 | H36 | 11.8° | 42.3° |
| C7 | N1 | C8 | H37 | 132.1° | 162.7° |
| C7 | C3 | C4 | H35 | 118.6° | 117.8° |
| C7 | C3 | C4 | C6 | 53.4° | 79.6° |
| C7 | C3 | C4 | C5 | 75.0° | 40.4° |
| C3 | C7 | N1 | H3 | 3.4° | 7.6° |
| C7 | C3 | C4 | H4 | 170.4° | 160.4° |
| C7 | C3 | N | H34 | 108.6° | 14.8° |
| C3 | C4 | C6 | C5 | 127.6° | 120.0° |
| C3 | C4 | C6 | H4 | 116.8° | 120.0° |
| C3 | C4 | C5 | H4 | 114.5° | 120.0° |
| C3 | C4 | C5 | H5 | 180.0° | 30.1° |
| C3 | C4 | C5 | H6 | 60.0° | 150.1° |
| C3 | C4 | C5 | H7 | 60.0° | 90.0° |
| C3 | C4 | C6 | H8 | 180.0° | 65.8° |
| C3 | C4 | C6 | H9 | 60.0° | 54.2° |
| C3 | C4 | C6 | H10 | 60.0° | 174.2° |
| C4 | C3 | N | H34 | 14.4° | 134.9° |
| C6 | C4 | C5 | H4 | 115.8° | 120.0° |
| C6 | C4 | C5 | H5 | 50.3° | 89.9° |
| C6 | C4 | C5 | H6 | 69.7° | 30.1° |
| C6 | C4 | C5 | H7 | 170.3° | 150.0° |
| C4 | C6 | H8 | H9 | 120.0° | 120.0° |
| C4 | C6 | H8 | H10 | 120.0° | 120.0° |
| C4 | C6 | H9 | H10 | 120.0° | 120.0° |
| C6 | C4 | C3 | H35 | 172.0° | 38.2° |
| C4 | C5 | H5 | H6 | 120.0° | 120.0° |
| C4 | C5 | H5 | H7 | 120.0° | 120.0° |
| C4 | C5 | H6 | H7 | 120.0° | 119.9° |
| C5 | C4 | C6 | H8 | 52.4° | 54.2° |
| C5 | C4 | C6 | H9 | 172.4° | 174.2° |
| C5 | C4 | C6 | H10 | 67.6° | 65.8° |
| C5 | C4 | C3 | H35 | 43.6° | 158.2° |
| H1 | C1 | C | H31 | 70.6° | 10.6° |
| H2 | C1 | C | H31 | 170.8° | 106.6° |
| H3 | N1 | C8 | H36 | 168.2° | 138.3° |
| H3 | N1 | C8 | H37 | 47.9° | 18.0° |
| H4 | C4 | C5 | H5 | 65.5° | 150.1° |
| H4 | C4 | C5 | H6 | 174.5° | 89.8° |
| H4 | C4 | C5 | H7 | 54.5° | 30.1° |
| H4 | C4 | C6 | H8 | 63.3° | 174.2° |
| H4 | C4 | C6 | H9 | 56.7° | 65.8° |
| H4 | C4 | C6 | H10 | 176.8° | 54.2° |
| H4 | C4 | C3 | H35 | 71.0° | 81.8° |
| H5 | C5 | H6 | H7 | 120.0° | 120.1° |
| H8 | C6 | H9 | H10 | 120.0° | 120.0° |
| H11 | C13 | C14 | H13 | 106.8° | 83.4° |
| H11 | C13 | C14 | H14 | 135.4° | 156.7° |
| H11 | C13 | C12 | H44 | 175.7° | 147.3° |
| H11 | C13 | C12 | H45 | 57.3° | 92.9° |
| H12 | C13 | C14 | H13 | 11.7° | 156.6° |
| H12 | C13 | C14 | H14 | 106.2° | 36.7° |
| H12 | C13 | C12 | H44 | 65.8° | 27.2° |
| H12 | C13 | C12 | H45 | 175.8° | 147.0° |
| H13 | C14 | C15 | H15 | 171.2° | 163.4° |
| H13 | C14 | C15 | H16 | 69.3° | 76.6° |
| H14 | C14 | C15 | H15 | 71.0° | 43.5° |
| H14 | C14 | C15 | H16 | 48.5° | 163.4° |
| H15 | C15 | C16 | H17 | 178.1° | 138.8° |
| H15 | C15 | C16 | H18 | 62.9° | 19.0° |
| H16 | C15 | C16 | H17 | 58.6° | 101.2° |
| H16 | C15 | C16 | H18 | 177.6° | 139.0° |
| H17 | C16 | C17 | H19 | 170.6° | 128.9° |
| H17 | C16 | C17 | H20 | 71.2° | 111.6° |
| H18 | C16 | C17 | H19 | 51.6° | 9.0° |
| H18 | C16 | C17 | H20 | 169.8° | 128.5° |
| H19 | C17 | C18 | H21 | 49.6° | 140.0° |
| H19 | C17 | C18 | H22 | 169.7° | 19.8° |
| H20 | C17 | C18 | H21 | 68.6° | 100.2° |
| H20 | C17 | C18 | H22 | 51.5° | 139.6° |
| H23 | C19 | C21 | H24 | 180.0° | 175.5° |
| H23 | C19 | C21 | H25 | 61.5° | 64.4° |
| H23 | C19 | C | H31 | 66.8° | 153.5° |
| H23 | C19 | N2 | H33 | 171.8° | 9.9° |
| H26 | C23 | C24 | H27 | 0.5° | 0.1° |
| H27 | C24 | C25 | H28 | 1.6° | 0.1° |
| H28 | C25 | C26 | H29 | 3.5° | 0.0° |
| H29 | C26 | C27 | H30 | 3.2° | 0.3° |
| H31 | C | O | H32 | 62.2° | 73.1° |
| H34 | N | C3 | H35 | 135.2° | 103.1° |
| H36 | C8 | C9 | H38 | 63.5° | 143.0° |
| H36 | C8 | C9 | H39 | 179.1° | 97.2° |
| H37 | C8 | C9 | H38 | 56.8° | 22.6° |
| H37 | C8 | C9 | H39 | 60.6° | 142.4° |
| H38 | C9 | C10 | H40 | 65.4° | 176.5° |
| H38 | C9 | C10 | H41 | 175.3° | 63.5° |
| H39 | C9 | C10 | H40 | 52.0° | 56.7° |
| H39 | C9 | C10 | H41 | 67.3° | 176.7° |
| H40 | C10 | C11 | H42 | 174.4° | 139.3° |
| H40 | C10 | C11 | H43 | 66.9° | 101.0° |
| H41 | C10 | C11 | H42 | 55.1° | 19.1° |
| H41 | C10 | C11 | H43 | 173.9° | 138.8° |
| H42 | C11 | C12 | H44 | 64.4° | 13.5° |
| H42 | C11 | C12 | H45 | 177.2° | 133.5° |
| H43 | C11 | C12 | H44 | 54.4° | 133.4° |
| H43 | C11 | C12 | H45 | 64.0° | 106.7° |
