QWZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C21 | sing | 1.50Å | 1.53Å | |
| C20 | C19 | sing | 1.54Å | 1.52Å | |
| C | O | sing | 1.43Å | 1.43Å | |
| C21 | C15 | sing | 1.54Å | 1.57Å | |
| O | C1 | sing | 1.36Å | 1.38Å | |
| O3 | C22 | doub | 1.21Å | 1.22Å | |
| C19 | C18 | sing | 1.54Å | 1.52Å | |
| C15 | N1 | sing | 1.46Å | 1.48Å | |
| C15 | C16 | sing | 1.46Å | 1.54Å | |
| C25 | C23 | sing | 1.53Å | 1.54Å | |
| C1 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | N1 | sing | 1.35Å | 1.36Å | |
| C22 | C23 | sing | 1.52Å | 1.56Å | |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| N1 | N | sing | 1.39Å | 1.38Å | |
| C18 | C17 | sing | 1.50Å | 1.51Å | |
| C26 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C14 | sing | 1.51Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.54Å | 1.52Å | |
| N | C14 | doub | 1.29Å | 1.31Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C14 | C9 | sing | 1.47Å | 1.48Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C6 | O1 | sing | 1.43Å | 1.45Å | |
| C9 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | O1 | sing | 1.36Å | 1.37Å | |
| C7 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | O2 | sing | 1.36Å | 1.37Å | |
| O2 | C13 | sing | 1.43Å | 1.43Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C | H29 | sing | 1.09Å | 1.10Å | |
| C | H30 | sing | 1.09Å | 1.10Å | |
| C | H31 | sing | 1.09Å | 1.10Å | |
| C10 | H32 | sing | 1.08Å | 1.08Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.08Å | 1.08Å | |
| C8 | H36 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C20 | C19 | 115.0° | 112.5° |
| C20 | C21 | C15 | 117.9° | 108.6° |
| C21 | C20 | H20 | 108.1° | 108.9° |
| C21 | C20 | H21 | 108.0° | 108.9° |
| C20 | C21 | H33 | 107.3° | 109.6° |
| C20 | C21 | H34 | 107.3° | 109.6° |
| C20 | C19 | C18 | 116.1° | 112.8° |
| C20 | C19 | H18 | 107.8° | 108.9° |
| C20 | C19 | H19 | 107.8° | 108.7° |
| C19 | C20 | H20 | 108.1° | 108.9° |
| C19 | C20 | H21 | 108.1° | 108.8° |
| C | O | C1 | 119.3° | 117.0° |
| O | C | H29 | 109.5° | 109.5° |
| O | C | H30 | 109.5° | 109.5° |
| O | C | H31 | 109.5° | 109.5° |
| C21 | C15 | N1 | 109.8° | 108.9° |
| C21 | C15 | C16 | 114.2° | 112.4° |
| C21 | C15 | H11 | 108.1° | 108.8° |
| C15 | C21 | H33 | 107.3° | 109.6° |
| C15 | C21 | H34 | 107.3° | 109.6° |
| O | C1 | C27 | 111.4° | 120.1° |
| O | C1 | C2 | 128.9° | 120.1° |
| O3 | C22 | N1 | 127.3° | 127.4° |
| O3 | C22 | C23 | 126.8° | 127.3° |
| C19 | C18 | C17 | 115.5° | 112.5° |
| C19 | C18 | H16 | 108.0° | 108.9° |
| C19 | C18 | H17 | 107.9° | 108.8° |
| C18 | C19 | H18 | 107.8° | 108.8° |
| C18 | C19 | H19 | 107.8° | 108.8° |
| N1 | C15 | C16 | 107.1° | 108.9° |
| C15 | N1 | C22 | 123.6° | 124.3° |
| C15 | N1 | N | 121.9° | 124.3° |
| N1 | C15 | H11 | 109.2° | 108.9° |
| C15 | C16 | C17 | 119.3° | 112.4° |
| C16 | C15 | H11 | 108.4° | 108.9° |
| C15 | C16 | H12 | 107.0° | 108.8° |
| C15 | C16 | H13 | 107.0° | 108.9° |
| C25 | C23 | C22 | 110.9° | 110.6° |
| C25 | C23 | C14 | 112.0° | 110.7° |
| C25 | C23 | C24 | 111.3° | 110.5° |
| C23 | C25 | H25 | 109.5° | 109.5° |
| C23 | C25 | H26 | 109.5° | 109.5° |
| C23 | C25 | H27 | 109.5° | 109.5° |
| C27 | C1 | C2 | 119.6° | 119.9° |
| C1 | C27 | C26 | 119.8° | 120.0° |
| C1 | C27 | H28 | 120.1° | 119.9° |
| C1 | C2 | C3 | 119.8° | 120.0° |
| C1 | C2 | H1 | 120.1° | 120.0° |
| N1 | C22 | C23 | 105.9° | 105.3° |
| C22 | N1 | N | 114.4° | 111.3° |
| C22 | C23 | C14 | 98.8° | 103.7° |
| C22 | C23 | C24 | 111.7° | 110.6° |
| C27 | C26 | C4 | 121.3° | 120.0° |
| C26 | C27 | H28 | 120.1° | 120.1° |
| C27 | C26 | H35 | 119.4° | 120.0° |
| C2 | C3 | C4 | 121.2° | 120.0° |
| C3 | C2 | H1 | 120.1° | 120.0° |
| C2 | C3 | H2 | 119.4° | 120.0° |
| N1 | N | C14 | 108.1° | 112.8° |
| C18 | C17 | C16 | 115.3° | 108.6° |
| C18 | C17 | H14 | 108.0° | 109.6° |
| C18 | C17 | H15 | 108.0° | 109.8° |
| C17 | C18 | H16 | 108.0° | 108.9° |
| C17 | C18 | H17 | 108.0° | 108.8° |
| C26 | C4 | C3 | 118.2° | 120.1° |
| C26 | C4 | C5 | 120.0° | 120.0° |
| C4 | C26 | H35 | 119.3° | 120.0° |
| C14 | C23 | C24 | 111.6° | 110.6° |
| C23 | C14 | N | 112.7° | 106.9° |
| C23 | C14 | C9 | 127.1° | 126.5° |
| C23 | C24 | H22 | 109.5° | 109.5° |
| C23 | C24 | H23 | 109.5° | 109.5° |
| C23 | C24 | H24 | 109.5° | 109.5° |
| C3 | C4 | C5 | 121.5° | 119.9° |
| C4 | C3 | H2 | 119.4° | 120.0° |
| C17 | C16 | H12 | 106.9° | 109.0° |
| C17 | C16 | H13 | 107.0° | 108.9° |
| C16 | C17 | H14 | 108.0° | 109.6° |
| C16 | C17 | H15 | 108.0° | 109.6° |
| N | C14 | C9 | 120.1° | 126.6° |
| C4 | C5 | C6 | 117.4° | 109.5° |
| C4 | C5 | H3 | 107.5° | 109.4° |
| C4 | C5 | H4 | 107.5° | 109.5° |
| C14 | C9 | C8 | 118.8° | 120.1° |
| C14 | C9 | C10 | 122.0° | 120.1° |
| C5 | C6 | O1 | 112.2° | 109.5° |
| C6 | C5 | H3 | 107.5° | 109.4° |
| C6 | C5 | H4 | 107.4° | 109.4° |
| C5 | C6 | H5 | 108.8° | 109.5° |
| C5 | C6 | H6 | 108.8° | 109.5° |
| C6 | O1 | C7 | 116.4° | 117.0° |
| O1 | C6 | H5 | 108.8° | 109.4° |
| O1 | C6 | H6 | 108.8° | 109.5° |
| C8 | C9 | C10 | 119.2° | 119.8° |
| C9 | C8 | C7 | 120.8° | 119.9° |
| C9 | C8 | H36 | 119.6° | 120.1° |
| C9 | C10 | C11 | 120.7° | 120.0° |
| C9 | C10 | H32 | 119.7° | 120.0° |
| C8 | C7 | O1 | 121.4° | 120.0° |
| C8 | C7 | C12 | 119.8° | 120.0° |
| C7 | C8 | H36 | 119.6° | 120.1° |
| C10 | C11 | C12 | 119.7° | 120.2° |
| C10 | C11 | H7 | 120.1° | 119.9° |
| C11 | C10 | H32 | 119.6° | 120.0° |
| O1 | C7 | C12 | 118.2° | 120.0° |
| C7 | C12 | C11 | 119.7° | 120.2° |
| C7 | C12 | O2 | 115.1° | 119.9° |
| C11 | C12 | O2 | 125.1° | 119.9° |
| C12 | C11 | H7 | 120.2° | 119.9° |
| C12 | O2 | C13 | 117.8° | 117.0° |
| O2 | C13 | H8 | 109.5° | 109.5° |
| O2 | C13 | H9 | 109.4° | 109.4° |
| O2 | C13 | H10 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.4° | 109.5° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.4° |
| H8 | C13 | H10 | 109.5° | 109.4° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H12 | C16 | H13 | 109.4° | 108.8° |
| H14 | C17 | H15 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.4° | 108.8° |
| H18 | C19 | H19 | 109.5° | 108.9° |
| H20 | C20 | H21 | 109.4° | 108.7° |
| H22 | C24 | H23 | 109.5° | 109.4° |
| H22 | C24 | H24 | 109.4° | 109.5° |
| H23 | C24 | H24 | 109.5° | 109.5° |
| H25 | C25 | H26 | 109.5° | 109.5° |
| H25 | C25 | H27 | 109.5° | 109.4° |
| H26 | C25 | H27 | 109.5° | 109.5° |
| H29 | C | H30 | 109.5° | 109.5° |
| H29 | C | H31 | 109.5° | 109.5° |
| H30 | C | H31 | 109.5° | 109.4° |
| H33 | C21 | H34 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C20 | C19 | H20 | 120.8° | 120.8° |
| C21 | C20 | C19 | H21 | 120.8° | 120.8° |
| C20 | C21 | C15 | H33 | 121.2° | 119.7° |
| C20 | C21 | C15 | H34 | 121.2° | 119.7° |
| C21 | C20 | C19 | C18 | 59.7° | 41.7° |
| C20 | C21 | C15 | N1 | 178.4° | 159.3° |
| C20 | C21 | C15 | C16 | 61.4° | 79.9° |
| C20 | C21 | C15 | H11 | 59.4° | 40.7° |
| C21 | C20 | C19 | H18 | 61.2° | 162.5° |
| C21 | C20 | C19 | H19 | 179.3° | 79.0° |
| C21 | C20 | H20 | H21 | 117.4° | 118.5° |
| C20 | C21 | H33 | H34 | 116.2° | 120.5° |
| C19 | C20 | C21 | C15 | 82.7° | 94.2° |
| C20 | C19 | C18 | H18 | 121.0° | 120.9° |
| C20 | C19 | C18 | H19 | 120.9° | 120.7° |
| C20 | C19 | C18 | C17 | 58.9° | 41.7° |
| C20 | C19 | C18 | H16 | 179.8° | 162.5° |
| C20 | C19 | C18 | H17 | 62.0° | 79.0° |
| C20 | C19 | H18 | H19 | 117.0° | 118.4° |
| C19 | C20 | H20 | H21 | 117.5° | 118.4° |
| C19 | C20 | C21 | H33 | 156.1° | 25.5° |
| C19 | C20 | C21 | H34 | 38.5° | 146.1° |
| C | O | C1 | C27 | 177.0° | 180.0° |
| C | O | C1 | C2 | 0.4° | 0.1° |
| O | C | H29 | H30 | 120.0° | 120.0° |
| O | C | H29 | H31 | 120.0° | 120.0° |
| O | C | H30 | H31 | 120.0° | 120.0° |
| C21 | C15 | N1 | C16 | 124.5° | 122.9° |
| C21 | C15 | N1 | H11 | 118.3° | 118.5° |
| C21 | C15 | C16 | H11 | 120.5° | 120.6° |
| C21 | C15 | N1 | C22 | 139.2° | 117.1° |
| C21 | C15 | N1 | N | 39.9° | 62.9° |
| C21 | C15 | C16 | C17 | 7.6° | 61.9° |
| C21 | C15 | C16 | H12 | 113.8° | 177.3° |
| C21 | C15 | C16 | H13 | 129.0° | 58.9° |
| C15 | C21 | C20 | H20 | 156.4° | 26.6° |
| C15 | C21 | C20 | H21 | 38.1° | 145.1° |
| C15 | C21 | H33 | H34 | 116.2° | 120.5° |
| O | C1 | C27 | C2 | 176.9° | 179.9° |
| O | C1 | C27 | C26 | 175.2° | 179.5° |
| O | C1 | C2 | C3 | 173.6° | 180.0° |
| O | C1 | C2 | H1 | 6.4° | 0.2° |
| O | C1 | C27 | H28 | 4.8° | 0.3° |
| C1 | O | C | H29 | 180.0° | 60.0° |
| C1 | O | C | H30 | 60.0° | 180.0° |
| C1 | O | C | H31 | 60.0° | 60.0° |
| O3 | C22 | N1 | C15 | 0.6° | 0.1° |
| O3 | C22 | C23 | C25 | 62.0° | 61.4° |
| O3 | C22 | N1 | C23 | 179.7° | 179.9° |
| O3 | C22 | N1 | N | 178.5° | 179.9° |
| O3 | C22 | C23 | C14 | 179.7° | 179.9° |
| O3 | C22 | C23 | C24 | 62.7° | 61.4° |
| C19 | C18 | C17 | H16 | 120.9° | 120.8° |
| C19 | C18 | C17 | H17 | 120.9° | 120.7° |
| C19 | C18 | C17 | C16 | 82.3° | 94.1° |
| C19 | C18 | C17 | H14 | 38.5° | 25.6° |
| C19 | C18 | C17 | H15 | 156.8° | 146.0° |
| C19 | C18 | H16 | H17 | 117.2° | 118.5° |
| C18 | C19 | H18 | H19 | 117.0° | 118.4° |
| C18 | C19 | C20 | H20 | 179.4° | 79.1° |
| C18 | C19 | C20 | H21 | 61.1° | 162.5° |
| N1 | C15 | C16 | H11 | 117.7° | 118.6° |
| C15 | N1 | C22 | N | 179.2° | 180.0° |
| C15 | N1 | C22 | C23 | 179.6° | 180.0° |
| N1 | C15 | C16 | C17 | 114.2° | 177.3° |
| C15 | N1 | N | C14 | 178.8° | 179.8° |
| N1 | C15 | C16 | H12 | 124.4° | 56.5° |
| N1 | C15 | C16 | H13 | 7.2° | 61.9° |
| N1 | C15 | C21 | H33 | 57.2° | 81.0° |
| N1 | C15 | C21 | H34 | 60.4° | 39.6° |
| C16 | C15 | N1 | C22 | 96.3° | 120.0° |
| C16 | C15 | N1 | N | 84.6° | 60.0° |
| C15 | C16 | C17 | C18 | 71.5° | 80.0° |
| C15 | C16 | C17 | H12 | 121.4° | 120.8° |
| C15 | C16 | C17 | H13 | 121.4° | 120.7° |
| C15 | C16 | H12 | H13 | 115.5° | 118.5° |
| C15 | C16 | C17 | H14 | 49.3° | 39.8° |
| C15 | C16 | C17 | H15 | 167.6° | 160.1° |
| C16 | C15 | C21 | H33 | 177.4° | 39.8° |
| C16 | C15 | C21 | H34 | 59.8° | 160.3° |
| C25 | C23 | C22 | N1 | 117.7° | 118.6° |
| C25 | C23 | C22 | C14 | 117.7° | 118.7° |
| C25 | C23 | C22 | C24 | 124.7° | 122.7° |
| C25 | C23 | C14 | C24 | 125.6° | 122.8° |
| C25 | C23 | C14 | N | 115.6° | 118.4° |
| C25 | C23 | C14 | C9 | 67.0° | 61.3° |
| C25 | C23 | C24 | H22 | 180.0° | 61.4° |
| C25 | C23 | C24 | H23 | 60.0° | 58.6° |
| C25 | C23 | C24 | H24 | 60.0° | 178.6° |
| C23 | C25 | H25 | H26 | 120.0° | 120.0° |
| C23 | C25 | H25 | H27 | 120.0° | 120.0° |
| C23 | C25 | H26 | H27 | 120.0° | 120.1° |
| C1 | C27 | C26 | H28 | 180.0° | 179.1° |
| C27 | C1 | C2 | C3 | 2.7° | 0.0° |
| C1 | C27 | C26 | C4 | 1.1° | 0.8° |
| C27 | C1 | C2 | H1 | 177.2° | 179.7° |
| C1 | C27 | C26 | H35 | 178.9° | 180.0° |
| C2 | C1 | C27 | C26 | 1.8° | 0.6° |
| C1 | C2 | C3 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 0.9° | 0.3° |
| C1 | C2 | C3 | H2 | 179.1° | 179.7° |
| C2 | C1 | C27 | H28 | 178.2° | 179.8° |
| N1 | C22 | C23 | C14 | 0.0° | 0.2° |
| N1 | C22 | C23 | C24 | 117.5° | 118.7° |
| C22 | N1 | N | C14 | 2.1° | 0.2° |
| C22 | N1 | C15 | H11 | 20.9° | 1.4° |
| C23 | C22 | N1 | N | 1.2° | 0.0° |
| C22 | C23 | C14 | C24 | 117.6° | 118.5° |
| C22 | C23 | C14 | N | 1.2° | 0.3° |
| C22 | C23 | C14 | C9 | 176.1° | 180.0° |
| C22 | C23 | C24 | H22 | 55.5° | 61.4° |
| C22 | C23 | C24 | H23 | 64.5° | 178.6° |
| C22 | C23 | C24 | H24 | 175.5° | 58.5° |
| C22 | C23 | C25 | H25 | 180.0° | 58.5° |
| C22 | C23 | C25 | H26 | 60.0° | 178.5° |
| C22 | C23 | C25 | H27 | 60.0° | 61.4° |
| C27 | C26 | C4 | H35 | 180.0° | 179.2° |
| C27 | C26 | C4 | C3 | 2.9° | 0.5° |
| C27 | C26 | C4 | C5 | 171.6° | 179.4° |
| C2 | C3 | C4 | C26 | 1.9° | 0.1° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 172.5° | 180.0° |
| N1 | N | C14 | C23 | 2.0° | 0.3° |
| N1 | N | C14 | C9 | 175.6° | 180.0° |
| N | N1 | C15 | H11 | 158.2° | 178.6° |
| C18 | C17 | C16 | H14 | 120.8° | 119.7° |
| C18 | C17 | C16 | H15 | 120.9° | 120.0° |
| C18 | C17 | C16 | H12 | 49.9° | 159.3° |
| C18 | C17 | C16 | H13 | 167.0° | 40.7° |
| C18 | C17 | H14 | H15 | 117.4° | 120.6° |
| C17 | C18 | H16 | H17 | 117.3° | 118.4° |
| C17 | C18 | C19 | H18 | 62.0° | 79.2° |
| C17 | C18 | C19 | H19 | 179.9° | 162.4° |
| C26 | C4 | C3 | C5 | 174.4° | 179.9° |
| C26 | C4 | C5 | C6 | 156.5° | 89.9° |
| C26 | C4 | C3 | H2 | 178.1° | 179.9° |
| C26 | C4 | C5 | H3 | 35.4° | 30.0° |
| C26 | C4 | C5 | H4 | 82.3° | 150.0° |
| C4 | C26 | C27 | H28 | 178.9° | 180.0° |
| C23 | C14 | N | C9 | 177.6° | 179.7° |
| C23 | C14 | C9 | C8 | 173.5° | 179.7° |
| C23 | C14 | C9 | C10 | 3.3° | 0.1° |
| C14 | C23 | C24 | H22 | 54.0° | 175.7° |
| C14 | C23 | C24 | H23 | 174.1° | 64.3° |
| C14 | C23 | C24 | H24 | 66.0° | 55.7° |
| C14 | C23 | C25 | H25 | 70.7° | 55.8° |
| C14 | C23 | C25 | H26 | 169.3° | 64.2° |
| C14 | C23 | C25 | H27 | 49.3° | 175.7° |
| C24 | C23 | C14 | N | 118.8° | 118.8° |
| C24 | C23 | C14 | C9 | 58.5° | 61.5° |
| C23 | C24 | H22 | H23 | 120.0° | 120.0° |
| C23 | C24 | H22 | H24 | 120.0° | 120.0° |
| C23 | C24 | H23 | H24 | 120.0° | 120.0° |
| C24 | C23 | C25 | H25 | 55.0° | 178.7° |
| C24 | C23 | C25 | H26 | 65.0° | 58.7° |
| C24 | C23 | C25 | H27 | 175.0° | 61.4° |
| C3 | C4 | C5 | C6 | 29.2° | 90.0° |
| C4 | C3 | C2 | H1 | 179.1° | 180.0° |
| C3 | C4 | C5 | H3 | 150.3° | 150.1° |
| C3 | C4 | C5 | H4 | 92.0° | 30.0° |
| C3 | C4 | C26 | H35 | 177.1° | 179.7° |
| C17 | C16 | C15 | H11 | 128.1° | 58.7° |
| C17 | C16 | H12 | H13 | 115.5° | 118.6° |
| C16 | C17 | H14 | H15 | 117.4° | 120.3° |
| C16 | C17 | C18 | H16 | 156.8° | 145.0° |
| C16 | C17 | C18 | H17 | 38.6° | 26.5° |
| N | C14 | C9 | C8 | 9.3° | 0.1° |
| N | C14 | C9 | C10 | 173.9° | 179.7° |
| C4 | C5 | C6 | H3 | 121.2° | 119.9° |
| C4 | C5 | C6 | H4 | 121.2° | 120.1° |
| C4 | C5 | C6 | O1 | 119.7° | 180.0° |
| C5 | C4 | C3 | H2 | 7.5° | 0.0° |
| C4 | C5 | H3 | H4 | 116.4° | 120.1° |
| C4 | C5 | C6 | H5 | 0.7° | 60.0° |
| C4 | C5 | C6 | H6 | 119.9° | 60.0° |
| C5 | C4 | C26 | H35 | 8.4° | 0.3° |
| C14 | C9 | C8 | C10 | 176.9° | 179.8° |
| C14 | C9 | C8 | C7 | 172.6° | 179.7° |
| C14 | C9 | C10 | C11 | 175.8° | 179.7° |
| C14 | C9 | C10 | H32 | 4.2° | 0.3° |
| C14 | C9 | C8 | H36 | 7.4° | 0.3° |
| C5 | C6 | O1 | H5 | 120.4° | 120.0° |
| C5 | C6 | O1 | H6 | 120.4° | 120.0° |
| C5 | C6 | O1 | C7 | 147.4° | 180.0° |
| C6 | C5 | H3 | H4 | 116.4° | 120.0° |
| C5 | C6 | H5 | H6 | 118.7° | 120.0° |
| C6 | O1 | C7 | C8 | 52.2° | 0.0° |
| C6 | O1 | C7 | C12 | 118.8° | 180.0° |
| O1 | C6 | C5 | H3 | 119.2° | 60.0° |
| O1 | C6 | C5 | H4 | 1.5° | 60.0° |
| O1 | C6 | H5 | H6 | 118.8° | 120.0° |
| C9 | C8 | C7 | H36 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 1.0° | 0.0° |
| C9 | C8 | C7 | O1 | 166.4° | 180.0° |
| C9 | C8 | C7 | C12 | 4.4° | 0.0° |
| C8 | C9 | C10 | H32 | 179.0° | 180.0° |
| C10 | C9 | C8 | C7 | 4.3° | 0.0° |
| C9 | C10 | C11 | H32 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 2.1° | 0.0° |
| C9 | C10 | C11 | H7 | 177.9° | 179.9° |
| C10 | C9 | C8 | H36 | 175.7° | 180.0° |
| C8 | C7 | O1 | C12 | 170.9° | 179.9° |
| C8 | C7 | C12 | C11 | 1.3° | 0.0° |
| C8 | C7 | C12 | O2 | 177.8° | 179.9° |
| C10 | C11 | C12 | C7 | 1.9° | 0.0° |
| C10 | C11 | C12 | H7 | 180.0° | 179.9° |
| C10 | C11 | C12 | O2 | 174.2° | 179.9° |
| O1 | C7 | C12 | C11 | 169.8° | 179.9° |
| O1 | C7 | C12 | O2 | 6.7° | 0.0° |
| C7 | O1 | C6 | H5 | 27.0° | 60.0° |
| C7 | O1 | C6 | H6 | 92.2° | 60.0° |
| O1 | C7 | C8 | H36 | 13.6° | 0.0° |
| C7 | C12 | C11 | O2 | 176.1° | 179.9° |
| C7 | C12 | O2 | C13 | 158.5° | 180.0° |
| C7 | C12 | C11 | H7 | 178.1° | 179.9° |
| C12 | C7 | C8 | H36 | 175.6° | 180.0° |
| C11 | C12 | O2 | C13 | 17.8° | 0.1° |
| C12 | C11 | C10 | H32 | 177.9° | 180.0° |
| O2 | C12 | C11 | H7 | 5.8° | 0.0° |
| C12 | O2 | C13 | H8 | 180.0° | 180.0° |
| C12 | O2 | C13 | H9 | 60.0° | 60.1° |
| C12 | O2 | C13 | H10 | 60.0° | 60.0° |
| O2 | C13 | H8 | H9 | 120.0° | 119.9° |
| O2 | C13 | H8 | H10 | 120.0° | 120.1° |
| O2 | C13 | H9 | H10 | 120.0° | 120.1° |
| H1 | C2 | C3 | H2 | 0.9° | 0.0° |
| H3 | C5 | C6 | H5 | 120.4° | 59.9° |
| H3 | C5 | C6 | H6 | 1.2° | 179.9° |
| H4 | C5 | C6 | H5 | 121.9° | 180.0° |
| H4 | C5 | C6 | H6 | 118.9° | 60.1° |
| H7 | C11 | C10 | H32 | 2.1° | 0.0° |
| H8 | C13 | H9 | H10 | 120.0° | 120.0° |
| H11 | C15 | C16 | H12 | 6.7° | 62.1° |
| H11 | C15 | C16 | H13 | 110.5° | 179.5° |
| H11 | C15 | C21 | H33 | 61.9° | 160.4° |
| H11 | C15 | C21 | H34 | 179.4° | 79.0° |
| H12 | C16 | C17 | H14 | 170.7° | 81.0° |
| H12 | C16 | C17 | H15 | 71.0° | 39.3° |
| H13 | C16 | C17 | H14 | 72.1° | 160.5° |
| H13 | C16 | C17 | H15 | 46.2° | 79.2° |
| H14 | C17 | C18 | H16 | 82.4° | 95.2° |
| H14 | C17 | C18 | H17 | 159.4° | 146.3° |
| H15 | C17 | C18 | H16 | 35.9° | 25.2° |
| H15 | C17 | C18 | H17 | 82.3° | 93.3° |
| H16 | C18 | C19 | H18 | 58.9° | 41.6° |
| H16 | C18 | C19 | H19 | 59.2° | 76.8° |
| H17 | C18 | C19 | H18 | 177.1° | 160.2° |
| H17 | C18 | C19 | H19 | 59.0° | 41.7° |
| H18 | C19 | C20 | H20 | 59.6° | 41.7° |
| H18 | C19 | C20 | H21 | 178.0° | 76.6° |
| H19 | C19 | C20 | H20 | 58.5° | 160.1° |
| H19 | C19 | C20 | H21 | 59.9° | 41.8° |
| H20 | C20 | C21 | H33 | 35.2° | 146.3° |
| H20 | C20 | C21 | H34 | 82.3° | 93.1° |
| H21 | C20 | C21 | H33 | 83.1° | 95.3° |
| H21 | C20 | C21 | H34 | 159.3° | 25.3° |
| H22 | C24 | H23 | H24 | 120.0° | 120.0° |
| H25 | C25 | H26 | H27 | 120.0° | 119.9° |
| H28 | C27 | C26 | H35 | 1.1° | 0.8° |
| H29 | C | H30 | H31 | 120.0° | 120.0° |
