A1I9W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.48Å | 1.47Å | |
| C13 | N3 | doub | 1.31Å | 1.31Å | Aromatic |
| C13 | C12 | sing | 1.42Å | 1.41Å | Aromatic |
| N3 | O3 | sing | 1.21Å | 1.41Å | Aromatic |
| C12 | C11 | doub | 1.37Å | 1.35Å | Aromatic |
| O3 | C11 | sing | 1.35Å | 1.36Å | Aromatic |
| C11 | C10 | sing | 1.47Å | 1.46Å | |
| C10 | O2 | doub | 1.22Å | 1.23Å | |
| C10 | N2 | sing | 1.35Å | 1.35Å | |
| N2 | C9 | sing | 1.47Å | 1.47Å | |
| N2 | C20 | sing | 1.47Å | 1.47Å | |
| C9 | C7 | sing | 1.51Å | 1.50Å | |
| C20 | C6 | sing | 1.51Å | 1.50Å | |
| C7 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| O1 | C1 | doub | 1.21Å | 1.23Å | |
| C8 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.34Å | |
| C23 | C24 | sing | 1.51Å | 1.39Å | |
| C22 | C21 | sing | 1.52Å | 1.50Å | |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | C21 | sing | 1.51Å | 1.54Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C21 | C27 | sing | 1.52Å | 1.50Å | |
| C2 | N1 | sing | 1.47Å | 1.46Å | |
| C24 | C25 | doub | 1.29Å | 1.38Å | |
| C27 | C26 | sing | 1.53Å | 1.33Å | |
| C25 | C26 | sing | 1.51Å | 1.43Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| N1 | H15 | sing | 0.97Å | 1.00Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C17 | C18 | 119.8° | 120.2° |
| C17 | C16 | C15 | 120.2° | 120.2° |
| C17 | C16 | H8 | 119.9° | 119.9° |
| C16 | C17 | H9 | 120.1° | 119.9° |
| C17 | C18 | C19 | 120.3° | 120.1° |
| C18 | C17 | H9 | 120.1° | 119.8° |
| C17 | C18 | H10 | 119.9° | 119.9° |
| C16 | C15 | C14 | 120.7° | 119.8° |
| C16 | C15 | H7 | 119.6° | 120.1° |
| C15 | C16 | H8 | 119.9° | 119.9° |
| C18 | C19 | C14 | 120.6° | 119.9° |
| C19 | C18 | H10 | 119.9° | 120.0° |
| C18 | C19 | H18 | 119.7° | 120.1° |
| C15 | C14 | C19 | 118.4° | 119.7° |
| C15 | C14 | C13 | 120.4° | 120.1° |
| C14 | C15 | H7 | 119.7° | 120.0° |
| C19 | C14 | C13 | 121.2° | 120.2° |
| C14 | C19 | H18 | 119.7° | 120.0° |
| C14 | C13 | N3 | 120.8° | 126.9° |
| C14 | C13 | C12 | 128.4° | 126.8° |
| N3 | C13 | C12 | 110.8° | 106.3° |
| C13 | N3 | O3 | 105.8° | 111.8° |
| C13 | C12 | C11 | 105.7° | 103.8° |
| C13 | C12 | H6 | 127.1° | 128.1° |
| N3 | O3 | C11 | 108.7° | 111.7° |
| C12 | C11 | O3 | 108.9° | 106.3° |
| C12 | C11 | C10 | 127.8° | 126.9° |
| C11 | C12 | H6 | 127.1° | 128.1° |
| O3 | C11 | C10 | 123.2° | 126.8° |
| C11 | C10 | O2 | 115.8° | 120.0° |
| C11 | C10 | N2 | 124.7° | 120.0° |
| O2 | C10 | N2 | 119.5° | 120.0° |
| C10 | N2 | C9 | 130.3° | 126.6° |
| C10 | N2 | C20 | 118.3° | 126.5° |
| C9 | N2 | C20 | 111.4° | 106.9° |
| N2 | C9 | C7 | 102.7° | 107.7° |
| N2 | C9 | H16 | 111.1° | 109.8° |
| N2 | C9 | H17 | 111.1° | 109.9° |
| N2 | C20 | C6 | 102.9° | 107.7° |
| N2 | C20 | H19 | 111.1° | 109.9° |
| N2 | C20 | H20 | 111.1° | 109.9° |
| C9 | C7 | C6 | 110.4° | 108.8° |
| C9 | C7 | C8 | 129.6° | 131.3° |
| C7 | C9 | H16 | 111.1° | 109.8° |
| C7 | C9 | H17 | 111.2° | 109.8° |
| C20 | C6 | C7 | 110.4° | 108.8° |
| C20 | C6 | C5 | 129.2° | 131.2° |
| C6 | C20 | H19 | 111.1° | 109.8° |
| C6 | C20 | H20 | 111.1° | 109.8° |
| C6 | C7 | C8 | 120.0° | 119.9° |
| C7 | C6 | C5 | 120.4° | 119.9° |
| C7 | C8 | C3 | 120.0° | 120.1° |
| C7 | C8 | H5 | 120.0° | 119.9° |
| C6 | C5 | C4 | 118.8° | 120.1° |
| C6 | C5 | H4 | 120.6° | 120.0° |
| O1 | C1 | C21 | 120.7° | 120.0° |
| O1 | C1 | N1 | 122.9° | 120.0° |
| C8 | C3 | C4 | 119.3° | 120.0° |
| C8 | C3 | C2 | 122.9° | 120.0° |
| C3 | C8 | H5 | 120.0° | 120.0° |
| C5 | C4 | C3 | 121.5° | 119.9° |
| C5 | C4 | H3 | 119.2° | 120.0° |
| C4 | C5 | H4 | 120.6° | 120.0° |
| C22 | C23 | C24 | 125.2° | 108.6° |
| C23 | C22 | C21 | 127.7° | 110.8° |
| C22 | C23 | H11 | 105.4° | 109.6° |
| C22 | C23 | H12 | 105.4° | 109.6° |
| C23 | C22 | H22 | 104.8° | 109.2° |
| C23 | C22 | H23 | 104.8° | 109.2° |
| C23 | C24 | C25 | 122.1° | 120.4° |
| C24 | C23 | H11 | 105.4° | 109.7° |
| C24 | C23 | H12 | 105.4° | 109.6° |
| C23 | C24 | H13 | 118.9° | 119.8° |
| C22 | C21 | C1 | 107.9° | 108.7° |
| C22 | C21 | C27 | 96.2° | 113.6° |
| C22 | C21 | H21 | 113.0° | 108.6° |
| C21 | C22 | H22 | 104.7° | 109.2° |
| C21 | C22 | H23 | 104.8° | 109.2° |
| C4 | C3 | C2 | 117.8° | 120.0° |
| C3 | C4 | H3 | 119.3° | 120.0° |
| C3 | C2 | N1 | 114.1° | 109.4° |
| C3 | C2 | H1 | 108.3° | 109.5° |
| C3 | C2 | H2 | 108.3° | 109.5° |
| C21 | C1 | N1 | 116.4° | 120.0° |
| C1 | C21 | C27 | 113.4° | 108.6° |
| C1 | C21 | H21 | 112.4° | 108.6° |
| C1 | N1 | C2 | 120.7° | 120.0° |
| C1 | N1 | H15 | 119.6° | 120.0° |
| C21 | C27 | C26 | 128.7° | 110.7° |
| C27 | C21 | H21 | 113.0° | 108.7° |
| C21 | C27 | H26 | 104.5° | 109.2° |
| C21 | C27 | H27 | 104.5° | 109.2° |
| N1 | C2 | H1 | 108.3° | 109.4° |
| N1 | C2 | H2 | 108.3° | 109.4° |
| C2 | N1 | H15 | 119.7° | 120.0° |
| C24 | C25 | C26 | 122.0° | 120.4° |
| C25 | C24 | H13 | 118.9° | 119.8° |
| C24 | C25 | H14 | 119.0° | 119.8° |
| C27 | C26 | C25 | 125.4° | 108.6° |
| C27 | C26 | H24 | 105.4° | 109.6° |
| C27 | C26 | H25 | 105.4° | 109.7° |
| C26 | C27 | H26 | 104.5° | 109.3° |
| C26 | C27 | H27 | 104.5° | 109.3° |
| C26 | C25 | H14 | 119.0° | 119.8° |
| C25 | C26 | H24 | 105.3° | 109.6° |
| C25 | C26 | H25 | 105.3° | 109.6° |
| H1 | C2 | H2 | 109.4° | 109.5° |
| H11 | C23 | H12 | 109.5° | 109.7° |
| H16 | C9 | H17 | 109.5° | 109.8° |
| H19 | C20 | H20 | 109.5° | 109.8° |
| H22 | C22 | H23 | 109.5° | 109.1° |
| H24 | C26 | H25 | 109.5° | 109.6° |
| H26 | C27 | H27 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C17 | C18 | H9 | 180.0° | 180.0° |
| C17 | C16 | C15 | H8 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.4° | 0.3° |
| C17 | C16 | C15 | C14 | 0.0° | 0.0° |
| C17 | C16 | C15 | H7 | 179.9° | 180.0° |
| C16 | C17 | C18 | H10 | 179.6° | 179.9° |
| C18 | C17 | C16 | C15 | 0.3° | 0.0° |
| C17 | C18 | C19 | H10 | 180.0° | 179.6° |
| C17 | C18 | C19 | C14 | 0.0° | 0.6° |
| C18 | C17 | C16 | H8 | 179.6° | 180.0° |
| C17 | C18 | C19 | H18 | 179.9° | 180.0° |
| C16 | C15 | C14 | H7 | 180.0° | 179.9° |
| C16 | C15 | C14 | C19 | 0.4° | 0.3° |
| C16 | C15 | C14 | C13 | 179.8° | 180.0° |
| C15 | C16 | C17 | H9 | 179.7° | 180.0° |
| C18 | C19 | C14 | C15 | 0.3° | 0.6° |
| C18 | C19 | C14 | H18 | 180.0° | 179.4° |
| C18 | C19 | C14 | C13 | 179.8° | 179.7° |
| C19 | C18 | C17 | H9 | 179.7° | 179.7° |
| C15 | C14 | C19 | C13 | 179.4° | 179.7° |
| C15 | C14 | C13 | N3 | 157.3° | 0.0° |
| C15 | C14 | C13 | C12 | 22.4° | 180.0° |
| C14 | C15 | C16 | H8 | 180.0° | 180.0° |
| C15 | C14 | C19 | H18 | 179.7° | 180.0° |
| C19 | C14 | C13 | N3 | 23.3° | 179.7° |
| C19 | C14 | C13 | C12 | 157.0° | 0.3° |
| C19 | C14 | C15 | H7 | 179.6° | 179.7° |
| C14 | C19 | C18 | H10 | 180.0° | 179.7° |
| C14 | C13 | N3 | C12 | 179.8° | 180.0° |
| C14 | C13 | N3 | O3 | 179.6° | 180.0° |
| C14 | C13 | C12 | C11 | 179.8° | 180.0° |
| C14 | C13 | C12 | H6 | 0.1° | 0.0° |
| C13 | C14 | C15 | H7 | 0.2° | 0.1° |
| C13 | C14 | C19 | H18 | 0.3° | 0.3° |
| N3 | C13 | C12 | C11 | 0.1° | 0.1° |
| C13 | N3 | O3 | C11 | 0.3° | 0.0° |
| N3 | C13 | C12 | H6 | 179.9° | 180.0° |
| C12 | C13 | N3 | O3 | 0.2° | 0.0° |
| C13 | C12 | C11 | H6 | 180.0° | 180.0° |
| C13 | C12 | C11 | O3 | 0.3° | 0.1° |
| C13 | C12 | C11 | C10 | 179.8° | 180.0° |
| N3 | O3 | C11 | C12 | 0.4° | 0.1° |
| N3 | O3 | C11 | C10 | 179.7° | 180.0° |
| C12 | C11 | O3 | C10 | 179.9° | 179.9° |
| C12 | C11 | C10 | O2 | 3.2° | 0.0° |
| C12 | C11 | C10 | N2 | 177.6° | 180.0° |
| O3 | C11 | C10 | O2 | 176.8° | 180.0° |
| O3 | C11 | C10 | N2 | 2.4° | 0.1° |
| O3 | C11 | C12 | H6 | 179.7° | 180.0° |
| C11 | C10 | O2 | N2 | 179.3° | 180.0° |
| C11 | C10 | N2 | C9 | 14.7° | 180.0° |
| C11 | C10 | N2 | C20 | 166.0° | 0.0° |
| C10 | C11 | C12 | H6 | 0.2° | 0.0° |
| O2 | C10 | N2 | C9 | 166.1° | 0.0° |
| O2 | C10 | N2 | C20 | 13.2° | 180.0° |
| C10 | N2 | C9 | C20 | 179.3° | 180.0° |
| C10 | N2 | C9 | C7 | 164.8° | 180.0° |
| C10 | N2 | C20 | C6 | 164.7° | 180.0° |
| C10 | N2 | C9 | H16 | 45.9° | 60.5° |
| C10 | N2 | C9 | H17 | 76.3° | 60.4° |
| C10 | N2 | C20 | H19 | 76.4° | 60.5° |
| C10 | N2 | C20 | H20 | 45.7° | 60.5° |
| N2 | C9 | C7 | H16 | 118.9° | 119.5° |
| N2 | C9 | C7 | H17 | 118.9° | 119.7° |
| C9 | N2 | C20 | C6 | 14.7° | 0.0° |
| N2 | C9 | C7 | C6 | 8.5° | 0.0° |
| N2 | C9 | C7 | C8 | 171.7° | 179.7° |
| N2 | C9 | H16 | H17 | 123.1° | 121.0° |
| C9 | N2 | C20 | H19 | 104.2° | 119.5° |
| C9 | N2 | C20 | H20 | 133.7° | 119.6° |
| C20 | N2 | C9 | C7 | 14.5° | 0.0° |
| N2 | C20 | C6 | H19 | 119.0° | 119.6° |
| N2 | C20 | C6 | H20 | 118.9° | 119.6° |
| N2 | C20 | C6 | C7 | 9.0° | 0.0° |
| N2 | C20 | C6 | C5 | 171.4° | 180.0° |
| C20 | N2 | C9 | H16 | 133.4° | 119.5° |
| C20 | N2 | C9 | H17 | 104.4° | 119.6° |
| N2 | C20 | H19 | H20 | 123.0° | 121.0° |
| C9 | C7 | C6 | C20 | 0.3° | 0.0° |
| C9 | C7 | C6 | C8 | 179.8° | 179.8° |
| C9 | C7 | C6 | C5 | 180.0° | 180.0° |
| C9 | C7 | C8 | C3 | 179.8° | 179.9° |
| C9 | C7 | C8 | H5 | 0.2° | 0.0° |
| C7 | C9 | H16 | H17 | 123.2° | 120.8° |
| C20 | C6 | C7 | C5 | 179.7° | 179.9° |
| C20 | C6 | C7 | C8 | 179.5° | 179.8° |
| C20 | C6 | C5 | C4 | 179.8° | 180.0° |
| C20 | C6 | C5 | H4 | 0.2° | 0.0° |
| C6 | C20 | H19 | H20 | 123.1° | 120.8° |
| C6 | C7 | C8 | C3 | 0.4° | 0.2° |
| C7 | C6 | C5 | C4 | 0.1° | 0.1° |
| C7 | C6 | C5 | H4 | 179.9° | 179.9° |
| C6 | C7 | C8 | H5 | 179.6° | 179.7° |
| C6 | C7 | C9 | H16 | 127.4° | 119.5° |
| C6 | C7 | C9 | H17 | 110.4° | 119.7° |
| C7 | C6 | C20 | H19 | 110.0° | 119.6° |
| C7 | C6 | C20 | H20 | 127.9° | 119.6° |
| C8 | C7 | C6 | C5 | 0.2° | 0.3° |
| C7 | C8 | C3 | H5 | 180.0° | 179.9° |
| C7 | C8 | C3 | C4 | 0.3° | 0.0° |
| C7 | C8 | C3 | C2 | 179.9° | 180.0° |
| C8 | C7 | C9 | H16 | 52.8° | 60.2° |
| C8 | C7 | C9 | H17 | 69.4° | 60.6° |
| C6 | C5 | C4 | H4 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.2° | 0.2° |
| C6 | C5 | C4 | H3 | 179.8° | 180.0° |
| C5 | C6 | C20 | H19 | 69.7° | 60.3° |
| C5 | C6 | C20 | H20 | 52.5° | 60.5° |
| O1 | C1 | C21 | C22 | 36.8° | 123.8° |
| O1 | C1 | C21 | N1 | 178.0° | 179.8° |
| O1 | C1 | C21 | C27 | 142.0° | 0.2° |
| O1 | C1 | N1 | C2 | 42.3° | 0.2° |
| O1 | C1 | N1 | H15 | 137.7° | 179.7° |
| O1 | C1 | C21 | H21 | 88.4° | 118.2° |
| C8 | C3 | C4 | C5 | 0.0° | 0.3° |
| C8 | C3 | C4 | C2 | 179.8° | 180.0° |
| C8 | C3 | C2 | N1 | 154.6° | 90.0° |
| C8 | C3 | C2 | H1 | 84.7° | 29.9° |
| C8 | C3 | C2 | H2 | 33.9° | 150.0° |
| C8 | C3 | C4 | H3 | 180.0° | 180.0° |
| C5 | C4 | C3 | H3 | 180.0° | 179.8° |
| C5 | C4 | C3 | C2 | 179.8° | 179.8° |
| C22 | C23 | C24 | H11 | 122.1° | 119.8° |
| C22 | C23 | C24 | H12 | 122.1° | 119.7° |
| C23 | C22 | C21 | H22 | 122.4° | 120.4° |
| C23 | C22 | C21 | H23 | 122.4° | 120.4° |
| C23 | C22 | C21 | C1 | 48.7° | 172.4° |
| C23 | C22 | C21 | C27 | 68.3° | 66.6° |
| C22 | C23 | C24 | C25 | 32.1° | 71.9° |
| C22 | C23 | H11 | H12 | 113.0° | 120.4° |
| C22 | C23 | C24 | H13 | 147.9° | 108.2° |
| C23 | C22 | C21 | H21 | 173.5° | 54.4° |
| C23 | C22 | H22 | H23 | 111.9° | 119.3° |
| C24 | C23 | C22 | C21 | 73.5° | 85.7° |
| C23 | C24 | C25 | H13 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 8.7° | 0.0° |
| C24 | C23 | H11 | H12 | 113.0° | 120.5° |
| C23 | C24 | C25 | H14 | 171.3° | 180.0° |
| C24 | C23 | C22 | H22 | 164.1° | 34.7° |
| C24 | C23 | C22 | H23 | 48.9° | 153.9° |
| C22 | C21 | C1 | C27 | 105.2° | 124.1° |
| C22 | C21 | C1 | H21 | 125.2° | 117.9° |
| C22 | C21 | C1 | N1 | 145.2° | 56.0° |
| C22 | C21 | C27 | H21 | 118.2° | 121.0° |
| C22 | C21 | C27 | C26 | 62.4° | 66.5° |
| C21 | C22 | C23 | H11 | 164.4° | 154.5° |
| C21 | C22 | C23 | H12 | 48.6° | 34.0° |
| C21 | C22 | H22 | H23 | 111.9° | 119.4° |
| C22 | C21 | C27 | H26 | 175.1° | 53.8° |
| C22 | C21 | C27 | H27 | 60.1° | 173.1° |
| C4 | C3 | C2 | N1 | 25.2° | 90.0° |
| C4 | C3 | C2 | H1 | 95.5° | 150.1° |
| C4 | C3 | C2 | H2 | 145.9° | 29.9° |
| C3 | C4 | C5 | H4 | 179.8° | 179.8° |
| C4 | C3 | C8 | H5 | 179.7° | 180.0° |
| C3 | C2 | N1 | C1 | 79.1° | 180.0° |
| C3 | C2 | N1 | H1 | 120.7° | 120.0° |
| C3 | C2 | N1 | H2 | 120.7° | 120.0° |
| C3 | C2 | H1 | H2 | 117.9° | 120.1° |
| C2 | C3 | C4 | H3 | 0.2° | 0.0° |
| C2 | C3 | C8 | H5 | 0.1° | 0.1° |
| C3 | C2 | N1 | H15 | 100.9° | 0.0° |
| C1 | C21 | C27 | H21 | 129.3° | 118.0° |
| C21 | C1 | N1 | C2 | 135.7° | 180.0° |
| C1 | C21 | C27 | C26 | 50.1° | 172.4° |
| C21 | C1 | N1 | H15 | 44.3° | 0.1° |
| C1 | C21 | C22 | H22 | 73.7° | 67.2° |
| C1 | C21 | C22 | H23 | 171.1° | 52.1° |
| C1 | C21 | C27 | H26 | 72.4° | 67.2° |
| C1 | C21 | C27 | H27 | 172.6° | 52.1° |
| N1 | C1 | C21 | C27 | 39.9° | 180.0° |
| C1 | N1 | C2 | H15 | 180.0° | 179.9° |
| C1 | N1 | C2 | H1 | 160.2° | 60.0° |
| C1 | N1 | C2 | H2 | 41.6° | 60.0° |
| N1 | C1 | C21 | H21 | 89.6° | 62.0° |
| C21 | C27 | C26 | H26 | 122.5° | 120.3° |
| C21 | C27 | C26 | H27 | 122.5° | 120.3° |
| C21 | C27 | C26 | C25 | 67.3° | 85.8° |
| C27 | C21 | C22 | H22 | 169.3° | 53.8° |
| C27 | C21 | C22 | H23 | 54.1° | 173.1° |
| C21 | C27 | C26 | H24 | 54.8° | 34.0° |
| C21 | C27 | C26 | H25 | 170.6° | 154.4° |
| C21 | C27 | H26 | H27 | 111.4° | 119.3° |
| N1 | C2 | H1 | H2 | 117.9° | 119.9° |
| C24 | C25 | C26 | C27 | 42.0° | 71.9° |
| C24 | C25 | C26 | H14 | 180.0° | 180.0° |
| C25 | C24 | C23 | H11 | 154.2° | 168.3° |
| C25 | C24 | C23 | H12 | 90.1° | 47.8° |
| C24 | C25 | C26 | H24 | 80.1° | 47.9° |
| C24 | C25 | C26 | H25 | 164.1° | 168.2° |
| C27 | C26 | C25 | H24 | 122.1° | 119.8° |
| C27 | C26 | C25 | H25 | 122.1° | 119.9° |
| C27 | C26 | C25 | H14 | 138.0° | 108.1° |
| C26 | C27 | C21 | H21 | 179.4° | 54.4° |
| C27 | C26 | H24 | H25 | 112.9° | 120.5° |
| C26 | C27 | H26 | H27 | 111.4° | 119.5° |
| C26 | C25 | C24 | H13 | 171.3° | 180.0° |
| C25 | C26 | H24 | H25 | 112.8° | 120.3° |
| C25 | C26 | C27 | H26 | 170.2° | 34.6° |
| C25 | C26 | C27 | H27 | 55.2° | 154.0° |
| H1 | C2 | N1 | H15 | 19.8° | 120.0° |
| H2 | C2 | N1 | H15 | 138.4° | 120.0° |
| H3 | C4 | C5 | H4 | 0.2° | 0.0° |
| H7 | C15 | C16 | H8 | 0.0° | 0.0° |
| H8 | C16 | C17 | H9 | 0.3° | 0.0° |
| H9 | C17 | C18 | H10 | 0.3° | 0.0° |
| H10 | C18 | C19 | H18 | 0.0° | 0.4° |
| H11 | C23 | C24 | H13 | 25.8° | 11.6° |
| H11 | C23 | C22 | H22 | 42.0° | 85.2° |
| H11 | C23 | C22 | H23 | 73.2° | 34.1° |
| H12 | C23 | C24 | H13 | 90.0° | 132.2° |
| H12 | C23 | C22 | H22 | 73.8° | 154.4° |
| H12 | C23 | C22 | H23 | 171.0° | 86.4° |
| H13 | C24 | C25 | H14 | 8.7° | 0.0° |
| H14 | C25 | C26 | H24 | 99.9° | 132.1° |
| H14 | C25 | C26 | H25 | 15.8° | 11.8° |
| H21 | C21 | C22 | H22 | 51.1° | 174.8° |
| H21 | C21 | C22 | H23 | 64.1° | 65.9° |
| H21 | C21 | C27 | H26 | 56.8° | 174.8° |
| H21 | C21 | C27 | H27 | 58.1° | 65.9° |
| H24 | C26 | C27 | H26 | 67.7° | 154.3° |
| H24 | C26 | C27 | H27 | 177.3° | 86.3° |
| H25 | C26 | C27 | H26 | 48.1° | 85.3° |
| H25 | C26 | C27 | H27 | 66.9° | 34.1° |
