A1IGW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | C09 | sing | 1.43Å | 1.40Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C08 | C07 | sing | 1.53Å | 1.53Å | |
| C07 | N01 | sing | 1.46Å | 1.45Å | |
| O01 | C04 | doub | 1.22Å | 1.18Å | |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| N01 | C04 | sing | 1.35Å | 1.43Å | |
| N01 | C01 | sing | 1.34Å | 1.44Å | |
| C22 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.41Å | 1.54Å | |
| CL01 | C20 | sing | 1.74Å | 1.78Å | |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| O02 | C01 | doub | 1.22Å | 1.18Å | |
| C01 | N02 | sing | 1.35Å | 1.46Å | |
| C17 | C16 | sing | 1.51Å | 1.53Å | |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | N04 | sing | 1.46Å | 1.45Å | |
| C03 | N04 | sing | 1.39Å | 1.34Å | Aromatic |
| C03 | C02 | doub | 1.39Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| N04 | C05 | sing | 1.35Å | 1.35Å | Aromatic |
| N02 | C02 | sing | 1.39Å | 1.49Å | |
| N02 | C10 | sing | 1.47Å | 1.45Å | |
| C02 | N03 | sing | 1.33Å | 1.35Å | Aromatic |
| C05 | N03 | doub | 1.32Å | 1.35Å | Aromatic |
| C05 | O03 | sing | 1.35Å | 1.40Å | |
| O03 | C06 | sing | 1.36Å | 1.40Å | |
| F01 | C29 | sing | 1.40Å | 1.37Å | |
| C06 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C06 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| F02 | C29 | sing | 1.40Å | 1.36Å | |
| C29 | O05 | sing | 1.43Å | 1.40Å | |
| C29 | F03 | sing | 1.40Å | 1.36Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | O05 | sing | 1.36Å | 1.40Å | |
| C14 | C13 | doub | 1.40Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.38Å | Aromatic |
| C13 | N05 | sing | 1.36Å | 1.46Å | |
| N05 | N06 | doub | 1.29Å | 1.22Å | |
| N06 | C23 | sing | 1.37Å | 1.45Å | |
| C23 | C24 | doub | 1.40Å | 1.39Å | Aromatic |
| C23 | C28 | sing | 1.40Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | H1 | sing | 1.09Å | 1.10Å | |
| C07 | H2 | sing | 1.09Å | 1.10Å | |
| C08 | H3 | sing | 1.09Å | 1.10Å | |
| C08 | H4 | sing | 1.09Å | 1.10Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| C24 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C26 | H21 | sing | 1.08Å | 1.08Å | |
| C27 | H22 | sing | 1.08Å | 1.08Å | |
| C28 | H23 | sing | 1.08Å | 1.08Å | |
| O04 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | C09 | C08 | 108.2° | 109.5° |
| O04 | C09 | H5 | 109.8° | 109.5° |
| O04 | C09 | H6 | 109.8° | 109.5° |
| C09 | O04 | H24 | 109.5° | 114.0° |
| C09 | C08 | C07 | 111.9° | 109.5° |
| C09 | C08 | H3 | 108.9° | 109.5° |
| C09 | C08 | H4 | 108.9° | 109.5° |
| C08 | C09 | H5 | 109.8° | 109.5° |
| C08 | C09 | H6 | 109.8° | 109.4° |
| C08 | C07 | N01 | 111.4° | 109.5° |
| C08 | C07 | H1 | 109.0° | 109.5° |
| C08 | C07 | H2 | 109.0° | 109.4° |
| C07 | C08 | H3 | 108.9° | 109.5° |
| C07 | C08 | H4 | 108.9° | 109.5° |
| C07 | N01 | C04 | 120.3° | 119.5° |
| C07 | N01 | C01 | 120.0° | 119.5° |
| N01 | C07 | H1 | 109.0° | 109.5° |
| N01 | C07 | H2 | 109.0° | 109.5° |
| O01 | C04 | N01 | 119.6° | 120.4° |
| O01 | C04 | C03 | 120.4° | 120.4° |
| C22 | C21 | C20 | 120.0° | 120.0° |
| C21 | C22 | C17 | 119.9° | 120.0° |
| C22 | C21 | H17 | 120.0° | 120.0° |
| C21 | C22 | H18 | 120.0° | 120.0° |
| C21 | C20 | CL01 | 120.0° | 120.0° |
| C21 | C20 | C19 | 120.1° | 120.0° |
| C20 | C21 | H17 | 120.0° | 120.0° |
| C04 | N01 | C01 | 119.7° | 121.0° |
| N01 | C04 | C03 | 119.9° | 119.3° |
| N01 | C01 | O02 | 119.9° | 119.2° |
| N01 | C01 | N02 | 120.2° | 121.6° |
| C22 | C17 | C16 | 119.9° | 120.0° |
| C22 | C17 | C18 | 120.0° | 120.1° |
| C17 | C22 | H18 | 120.1° | 120.0° |
| C04 | C03 | N04 | 132.6° | 134.5° |
| C04 | C03 | C02 | 120.1° | 119.2° |
| CL01 | C20 | C19 | 119.9° | 120.0° |
| C20 | C19 | C18 | 119.9° | 120.0° |
| C20 | C19 | H16 | 120.0° | 120.0° |
| O02 | C01 | N02 | 119.9° | 119.2° |
| C01 | N02 | C02 | 120.2° | 120.1° |
| C01 | N02 | C10 | 119.8° | 120.0° |
| C16 | C17 | C18 | 120.1° | 120.0° |
| C17 | C16 | N04 | 108.7° | 109.5° |
| C17 | C16 | H13 | 109.6° | 109.4° |
| C17 | C16 | H14 | 109.7° | 109.4° |
| C17 | C18 | C19 | 120.0° | 120.0° |
| C17 | C18 | H15 | 120.0° | 120.1° |
| C16 | N04 | C03 | 126.4° | 126.6° |
| C16 | N04 | C05 | 124.6° | 126.5° |
| N04 | C16 | H13 | 109.7° | 109.5° |
| N04 | C16 | H14 | 109.7° | 109.5° |
| N04 | C03 | C02 | 107.3° | 106.3° |
| C03 | N04 | C05 | 109.0° | 106.9° |
| C03 | C02 | N02 | 119.8° | 118.8° |
| C03 | C02 | N03 | 108.1° | 107.4° |
| C19 | C18 | H15 | 120.0° | 119.9° |
| C18 | C19 | H16 | 120.0° | 120.0° |
| N04 | C05 | N03 | 108.0° | 109.5° |
| N04 | C05 | O03 | 123.9° | 125.2° |
| C02 | N02 | C10 | 120.0° | 120.0° |
| N02 | C02 | N03 | 132.1° | 133.7° |
| N02 | C10 | H7 | 109.5° | 109.5° |
| N02 | C10 | H8 | 109.5° | 109.5° |
| N02 | C10 | H9 | 109.5° | 109.5° |
| C02 | N03 | C05 | 107.6° | 109.8° |
| N03 | C05 | O03 | 128.1° | 125.2° |
| C05 | O03 | C06 | 114.3° | 118.0° |
| O03 | C06 | C15 | 119.7° | 119.9° |
| O03 | C06 | C11 | 120.3° | 119.8° |
| F01 | C29 | F02 | 109.6° | 109.5° |
| F01 | C29 | O05 | 109.3° | 109.4° |
| F01 | C29 | F03 | 109.4° | 109.5° |
| C15 | C06 | C11 | 120.0° | 120.3° |
| C06 | C15 | C14 | 120.0° | 120.0° |
| C06 | C15 | H12 | 120.0° | 119.9° |
| C06 | C11 | C12 | 120.0° | 120.2° |
| C06 | C11 | H10 | 120.0° | 119.9° |
| C15 | C14 | O05 | 119.9° | 120.1° |
| C15 | C14 | C13 | 120.1° | 119.8° |
| C14 | C15 | H12 | 120.0° | 120.1° |
| F02 | C29 | O05 | 109.8° | 109.4° |
| F02 | C29 | F03 | 109.4° | 109.5° |
| O05 | C29 | F03 | 109.4° | 109.5° |
| C29 | O05 | C14 | 114.2° | 117.0° |
| C11 | C12 | C13 | 120.0° | 120.0° |
| C12 | C11 | H10 | 120.0° | 119.9° |
| C11 | C12 | H11 | 120.0° | 120.0° |
| O05 | C14 | C13 | 120.0° | 120.1° |
| C14 | C13 | C12 | 119.9° | 119.7° |
| C14 | C13 | N05 | 119.5° | 120.1° |
| C12 | C13 | N05 | 120.6° | 120.2° |
| C13 | C12 | H11 | 120.0° | 120.0° |
| C13 | N05 | N06 | 120.9° | 120.0° |
| N05 | N06 | C23 | 119.6° | 120.0° |
| N06 | C23 | C24 | 119.9° | 120.1° |
| N06 | C23 | C28 | 120.2° | 120.2° |
| C24 | C23 | C28 | 119.9° | 119.7° |
| C23 | C24 | C25 | 120.0° | 119.8° |
| C23 | C24 | H19 | 120.0° | 120.1° |
| C23 | C28 | C27 | 120.2° | 119.8° |
| C23 | C28 | H23 | 119.9° | 120.1° |
| C24 | C25 | C26 | 120.1° | 120.2° |
| C25 | C24 | H19 | 120.0° | 120.1° |
| C24 | C25 | H20 | 120.0° | 119.9° |
| C28 | C27 | C26 | 120.0° | 120.2° |
| C28 | C27 | H22 | 120.0° | 119.9° |
| C27 | C28 | H23 | 119.9° | 120.1° |
| C25 | C26 | C27 | 119.9° | 120.3° |
| C26 | C25 | H20 | 120.0° | 119.9° |
| C25 | C26 | H21 | 120.0° | 119.8° |
| C27 | C26 | H21 | 120.0° | 119.9° |
| C26 | C27 | H22 | 120.0° | 119.9° |
| H1 | C07 | H2 | 109.5° | 109.4° |
| H3 | C08 | H4 | 109.5° | 109.4° |
| H5 | C09 | H6 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.5° | 109.4° |
| H7 | C10 | H9 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | C09 | C08 | H5 | 119.8° | 120.0° |
| O04 | C09 | C08 | H6 | 119.8° | 120.0° |
| O04 | C09 | C08 | C07 | 33.3° | 180.0° |
| O04 | C09 | C08 | H3 | 87.1° | 60.0° |
| O04 | C09 | C08 | H4 | 153.6° | 60.0° |
| O04 | C09 | H5 | H6 | 120.6° | 120.0° |
| C09 | C08 | C07 | H3 | 120.4° | 120.0° |
| C09 | C08 | C07 | H4 | 120.4° | 120.1° |
| C09 | C08 | C07 | N01 | 165.1° | 180.0° |
| C09 | C08 | C07 | H1 | 74.6° | 59.9° |
| C09 | C08 | C07 | H2 | 44.8° | 60.0° |
| C09 | C08 | H3 | H4 | 118.9° | 120.0° |
| C08 | C09 | H5 | H6 | 120.6° | 120.0° |
| C08 | C09 | O04 | H24 | 180.0° | 180.0° |
| C08 | C07 | N01 | H1 | 120.3° | 120.1° |
| C08 | C07 | N01 | H2 | 120.3° | 119.9° |
| C08 | C07 | N01 | C04 | 73.3° | 90.0° |
| C08 | C07 | N01 | C01 | 107.0° | 90.0° |
| C08 | C07 | H1 | H2 | 119.1° | 119.9° |
| C07 | C08 | H3 | H4 | 118.9° | 120.0° |
| C07 | C08 | C09 | H5 | 153.0° | 60.0° |
| C07 | C08 | C09 | H6 | 86.5° | 60.0° |
| C07 | N01 | C04 | O01 | 0.2° | 0.0° |
| C07 | N01 | C04 | C01 | 179.7° | 180.0° |
| C07 | N01 | C04 | C03 | 179.8° | 180.0° |
| C07 | N01 | C01 | O02 | 0.3° | 0.3° |
| C07 | N01 | C01 | N02 | 179.9° | 180.0° |
| N01 | C07 | H1 | H2 | 119.1° | 120.0° |
| N01 | C07 | C08 | H3 | 44.7° | 60.0° |
| N01 | C07 | C08 | H4 | 74.5° | 59.9° |
| O01 | C04 | N01 | C03 | 180.0° | 180.0° |
| O01 | C04 | N01 | C01 | 179.9° | 180.0° |
| O01 | C04 | C03 | N04 | 0.1° | 0.0° |
| O01 | C04 | C03 | C02 | 179.9° | 180.0° |
| C22 | C21 | C20 | H17 | 180.0° | 179.4° |
| C21 | C22 | C17 | H18 | 180.0° | 179.4° |
| C22 | C21 | C20 | CL01 | 180.0° | 179.7° |
| C22 | C21 | C20 | C19 | 0.0° | 0.3° |
| C21 | C22 | C17 | C16 | 179.9° | 179.7° |
| C21 | C22 | C17 | C18 | 0.3° | 0.6° |
| C20 | C21 | C22 | C17 | 0.1° | 0.6° |
| C21 | C20 | CL01 | C19 | 179.9° | 180.0° |
| C21 | C20 | C19 | C18 | 0.0° | 0.1° |
| C21 | C20 | C19 | H16 | 180.0° | 180.0° |
| C20 | C21 | C22 | H18 | 179.9° | 180.0° |
| C04 | N01 | C01 | O02 | 179.9° | 179.8° |
| C04 | N01 | C01 | N02 | 0.2° | 0.0° |
| N01 | C04 | C03 | N04 | 179.9° | 180.0° |
| N01 | C04 | C03 | C02 | 0.0° | 0.1° |
| C04 | N01 | C07 | H1 | 166.4° | 30.1° |
| C04 | N01 | C07 | H2 | 47.0° | 150.0° |
| C01 | N01 | C04 | C03 | 0.2° | 0.0° |
| N01 | C01 | O02 | N02 | 179.9° | 179.8° |
| N01 | C01 | N02 | C02 | 0.1° | 0.0° |
| N01 | C01 | N02 | C10 | 179.9° | 180.0° |
| C01 | N01 | C07 | H1 | 13.3° | 150.0° |
| C01 | N01 | C07 | H2 | 132.7° | 30.0° |
| C22 | C17 | C16 | C18 | 179.6° | 179.7° |
| C22 | C17 | C16 | N04 | 101.2° | 90.3° |
| C22 | C17 | C18 | C19 | 0.3° | 0.3° |
| C22 | C17 | C16 | H13 | 18.7° | 29.7° |
| C22 | C17 | C16 | H14 | 138.9° | 149.7° |
| C22 | C17 | C18 | H15 | 179.8° | 179.7° |
| C17 | C22 | C21 | H17 | 179.9° | 180.0° |
| C04 | C03 | N04 | C16 | 0.1° | 0.0° |
| C04 | C03 | N04 | C02 | 179.9° | 180.0° |
| C04 | C03 | N04 | C05 | 179.8° | 180.0° |
| C04 | C03 | C02 | N02 | 0.1° | 0.0° |
| C04 | C03 | C02 | N03 | 180.0° | 180.0° |
| CL01 | C20 | C19 | C18 | 180.0° | 180.0° |
| CL01 | C20 | C19 | H16 | 0.0° | 0.1° |
| CL01 | C20 | C21 | H17 | 0.0° | 0.3° |
| C20 | C19 | C18 | C17 | 0.1° | 0.1° |
| C20 | C19 | C18 | H16 | 180.0° | 179.9° |
| C20 | C19 | C18 | H15 | 179.9° | 180.0° |
| C19 | C20 | C21 | H17 | 180.0° | 179.7° |
| O02 | C01 | N02 | C02 | 179.9° | 179.7° |
| O02 | C01 | N02 | C10 | 0.0° | 0.2° |
| C01 | N02 | C02 | C03 | 0.1° | 0.0° |
| C01 | N02 | C02 | C10 | 180.0° | 180.0° |
| C01 | N02 | C02 | N03 | 179.9° | 179.9° |
| C01 | N02 | C10 | H7 | 180.0° | 0.1° |
| C01 | N02 | C10 | H8 | 60.0° | 120.0° |
| C01 | N02 | C10 | H9 | 60.0° | 120.0° |
| C17 | C16 | N04 | H13 | 119.9° | 119.9° |
| C17 | C16 | N04 | H14 | 119.9° | 120.0° |
| C17 | C16 | N04 | C03 | 97.0° | 90.0° |
| C16 | C17 | C18 | C19 | 179.9° | 180.0° |
| C17 | C16 | N04 | C05 | 82.7° | 90.0° |
| C17 | C16 | H13 | H14 | 120.3° | 120.0° |
| C16 | C17 | C18 | H15 | 0.1° | 0.0° |
| C16 | C17 | C22 | H18 | 0.1° | 0.3° |
| C18 | C17 | C16 | N04 | 78.4° | 90.0° |
| C17 | C18 | C19 | H15 | 180.0° | 180.0° |
| C18 | C17 | C16 | H13 | 161.7° | 150.0° |
| C18 | C17 | C16 | H14 | 41.5° | 30.0° |
| C17 | C18 | C19 | H16 | 179.9° | 180.0° |
| C18 | C17 | C22 | H18 | 179.7° | 180.0° |
| C16 | N04 | C03 | C05 | 179.7° | 180.0° |
| C16 | N04 | C03 | C02 | 179.8° | 180.0° |
| C16 | N04 | C05 | N03 | 180.0° | 180.0° |
| C16 | N04 | C05 | O03 | 0.7° | 0.0° |
| N04 | C16 | H13 | H14 | 120.3° | 120.1° |
| N04 | C03 | C02 | N02 | 179.9° | 180.0° |
| N04 | C03 | C02 | N03 | 0.1° | 0.0° |
| C03 | N04 | C05 | N03 | 0.3° | 0.0° |
| C03 | N04 | C05 | O03 | 179.6° | 180.0° |
| C03 | N04 | C16 | H13 | 22.9° | 30.0° |
| C03 | N04 | C16 | H14 | 143.1° | 150.0° |
| C02 | C03 | N04 | C05 | 0.1° | 0.0° |
| C03 | C02 | N02 | N03 | 179.8° | 179.9° |
| C03 | C02 | N02 | C10 | 179.9° | 180.0° |
| C03 | C02 | N03 | C05 | 0.3° | 0.0° |
| N04 | C05 | N03 | C02 | 0.3° | 0.0° |
| N04 | C05 | N03 | O03 | 179.3° | 180.0° |
| N04 | C05 | O03 | C06 | 159.9° | 175.2° |
| C05 | N04 | C16 | H13 | 157.4° | 150.0° |
| C05 | N04 | C16 | H14 | 37.2° | 30.0° |
| N02 | C02 | N03 | C05 | 179.9° | 180.0° |
| C02 | N02 | C10 | H7 | 0.1° | 180.0° |
| C02 | N02 | C10 | H8 | 120.0° | 60.0° |
| C02 | N02 | C10 | H9 | 120.1° | 60.0° |
| C10 | N02 | C02 | N03 | 0.1° | 0.0° |
| N02 | C10 | H7 | H8 | 120.0° | 120.0° |
| N02 | C10 | H7 | H9 | 120.0° | 120.0° |
| N02 | C10 | H8 | H9 | 120.0° | 120.0° |
| C02 | N03 | C05 | O03 | 179.6° | 180.0° |
| N03 | C05 | O03 | C06 | 20.9° | 4.9° |
| C05 | O03 | C06 | C15 | 82.8° | 103.3° |
| C05 | O03 | C06 | C11 | 98.9° | 76.9° |
| O03 | C06 | C15 | C11 | 178.4° | 179.8° |
| O03 | C06 | C15 | C14 | 179.3° | 179.7° |
| O03 | C06 | C11 | C12 | 179.2° | 179.7° |
| O03 | C06 | C11 | H10 | 0.8° | 0.3° |
| O03 | C06 | C15 | H12 | 0.7° | 0.2° |
| F01 | C29 | F02 | O05 | 120.0° | 119.9° |
| F01 | C29 | F02 | F03 | 119.9° | 120.1° |
| F01 | C29 | O05 | F03 | 119.7° | 120.0° |
| F01 | C29 | O05 | C14 | 99.3° | 60.1° |
| C06 | C15 | C14 | H12 | 180.0° | 179.9° |
| C15 | C06 | C11 | C12 | 0.8° | 0.1° |
| C06 | C15 | C14 | O05 | 179.6° | 180.0° |
| C06 | C15 | C14 | C13 | 0.7° | 0.0° |
| C15 | C06 | C11 | H10 | 179.2° | 179.9° |
| C11 | C06 | C15 | C14 | 0.9° | 0.0° |
| C06 | C11 | C12 | H10 | 180.0° | 180.0° |
| C06 | C11 | C12 | C13 | 0.4° | 0.1° |
| C06 | C11 | C12 | H11 | 179.6° | 180.0° |
| C11 | C06 | C15 | H12 | 179.1° | 180.0° |
| C15 | C14 | O05 | C29 | 78.3° | 0.1° |
| C15 | C14 | O05 | C13 | 179.7° | 180.0° |
| C15 | C14 | C13 | C12 | 0.3° | 0.0° |
| C15 | C14 | C13 | N05 | 179.9° | 180.0° |
| F02 | C29 | O05 | F03 | 120.0° | 120.0° |
| F02 | C29 | O05 | C14 | 20.9° | 180.0° |
| C29 | O05 | C14 | C13 | 102.0° | 180.0° |
| F03 | C29 | O05 | C14 | 141.0° | 60.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.1° |
| C11 | C12 | C13 | H11 | 180.0° | 179.9° |
| C11 | C12 | C13 | N05 | 179.9° | 179.9° |
| O05 | C14 | C13 | C12 | 180.0° | 180.0° |
| O05 | C14 | C13 | N05 | 0.2° | 0.0° |
| O05 | C14 | C15 | H12 | 0.4° | 0.0° |
| C14 | C13 | C12 | N05 | 179.8° | 180.0° |
| C14 | C13 | N05 | N06 | 179.8° | 180.0° |
| C14 | C13 | C12 | H11 | 179.9° | 179.9° |
| C13 | C14 | C15 | H12 | 179.4° | 180.0° |
| C12 | C13 | N05 | N06 | 0.0° | 0.0° |
| C13 | C12 | C11 | H10 | 179.6° | 179.9° |
| C13 | N05 | N06 | C23 | 179.7° | 180.0° |
| N05 | C13 | C12 | H11 | 0.1° | 0.1° |
| N05 | N06 | C23 | C24 | 0.4° | 180.0° |
| N05 | N06 | C23 | C28 | 179.9° | 0.2° |
| N06 | C23 | C24 | C28 | 179.5° | 179.7° |
| N06 | C23 | C24 | C25 | 179.8° | 179.8° |
| N06 | C23 | C28 | C27 | 179.8° | 179.7° |
| N06 | C23 | C24 | H19 | 0.2° | 0.3° |
| N06 | C23 | C28 | H23 | 0.2° | 0.2° |
| C23 | C24 | C25 | H19 | 180.0° | 179.9° |
| C24 | C23 | C28 | C27 | 0.3° | 0.0° |
| C23 | C24 | C25 | C26 | 0.1° | 0.1° |
| C23 | C24 | C25 | H20 | 179.9° | 180.0° |
| C24 | C23 | C28 | H23 | 179.7° | 180.0° |
| C28 | C23 | C24 | C25 | 0.3° | 0.0° |
| C23 | C28 | C27 | H23 | 180.0° | 180.0° |
| C23 | C28 | C27 | C26 | 0.1° | 0.0° |
| C28 | C23 | C24 | H19 | 179.7° | 179.9° |
| C23 | C28 | C27 | H22 | 179.9° | 179.9° |
| C24 | C25 | C26 | H20 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.1° | 0.1° |
| C24 | C25 | C26 | H21 | 179.9° | 180.0° |
| C28 | C27 | C26 | C25 | 0.1° | 0.1° |
| C28 | C27 | C26 | H22 | 180.0° | 179.9° |
| C28 | C27 | C26 | H21 | 179.9° | 180.0° |
| C25 | C26 | C27 | H21 | 180.0° | 179.9° |
| C26 | C25 | C24 | H19 | 179.9° | 180.0° |
| C25 | C26 | C27 | H22 | 179.9° | 179.9° |
| C27 | C26 | C25 | H20 | 179.9° | 180.0° |
| C26 | C27 | C28 | H23 | 179.9° | 180.0° |
| H1 | C07 | C08 | H3 | 165.0° | 60.1° |
| H1 | C07 | C08 | H4 | 45.8° | 180.0° |
| H2 | C07 | C08 | H3 | 75.6° | 180.0° |
| H2 | C07 | C08 | H4 | 165.2° | 60.1° |
| H3 | C08 | C09 | H5 | 32.7° | 180.0° |
| H3 | C08 | C09 | H6 | 153.1° | 60.0° |
| H4 | C08 | C09 | H5 | 86.6° | 60.1° |
| H4 | C08 | C09 | H6 | 33.8° | 180.0° |
| H5 | C09 | O04 | H24 | 60.2° | 60.0° |
| H6 | C09 | O04 | H24 | 60.2° | 60.0° |
| H7 | C10 | H8 | H9 | 120.0° | 120.0° |
| H10 | C11 | C12 | H11 | 0.4° | 0.1° |
| H15 | C18 | C19 | H16 | 0.1° | 0.1° |
| H17 | C21 | C22 | H18 | 0.1° | 0.6° |
| H19 | C24 | C25 | H20 | 0.1° | 0.1° |
| H20 | C25 | C26 | H21 | 0.1° | 0.1° |
| H21 | C26 | C27 | H22 | 0.1° | 0.0° |
| H22 | C27 | C28 | H23 | 0.1° | 0.1° |
