OWS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | O24 | sing | 1.43Å | 1.39Å | |
| C28 | O27 | sing | 1.43Å | 1.39Å | |
| O27 | C26 | sing | 1.36Å | 1.39Å | |
| O24 | C23 | sing | 1.36Å | 1.39Å | |
| C26 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | C29 | sing | 1.39Å | 1.41Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.47Å | 1.52Å | |
| C22 | C40 | doub | 1.40Å | 1.40Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.52Å | |
| C21 | C20 | doub | 1.35Å | 1.38Å | |
| C30 | C40 | sing | 1.38Å | 1.41Å | Aromatic |
| C30 | C31 | sing | 1.51Å | 1.53Å | |
| C14 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| O01 | C02 | doub | 1.22Å | 1.22Å | |
| C33 | N34 | doub | 1.32Å | 1.36Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| N34 | C35 | sing | 1.32Å | 1.34Å | Aromatic |
| C20 | C02 | sing | 1.46Å | 1.53Å | |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| C02 | N03 | sing | 1.35Å | 1.46Å | |
| C32 | C38 | doub | 1.40Å | 1.41Å | Aromatic |
| C35 | N36 | sing | 1.38Å | 1.44Å | |
| C35 | N37 | doub | 1.32Å | 1.35Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C13 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C38 | N37 | sing | 1.33Å | 1.35Å | Aromatic |
| C38 | N39 | sing | 1.39Å | 1.44Å | |
| N03 | C12 | sing | 1.47Å | 1.49Å | |
| N03 | N04 | sing | 1.40Å | 1.36Å | |
| C12 | C11 | sing | 1.51Å | 1.56Å | |
| N04 | C05 | doub | 1.30Å | 1.40Å | |
| C11 | C10 | doub | 1.38Å | 1.43Å | Aromatic |
| C11 | C06 | sing | 1.40Å | 1.37Å | Aromatic |
| C10 | C09 | sing | 1.39Å | 1.40Å | Aromatic |
| C05 | C06 | sing | 1.47Å | 1.48Å | |
| C06 | C07 | doub | 1.40Å | 1.43Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C07 | H8 | sing | 1.08Å | 1.08Å | |
| C08 | H9 | sing | 1.08Å | 1.08Å | |
| C09 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.08Å | 1.08Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.08Å | 1.08Å | |
| C40 | H26 | sing | 1.08Å | 1.08Å | |
| N36 | H27 | sing | 0.97Å | 1.00Å | |
| N36 | H28 | sing | 0.97Å | 1.00Å | |
| N39 | H29 | sing | 0.97Å | 1.00Å | |
| N39 | H30 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | O24 | C23 | 119.0° | 117.0° |
| O24 | C25 | H16 | 109.5° | 109.5° |
| O24 | C25 | H17 | 109.5° | 109.5° |
| O24 | C25 | H18 | 109.5° | 109.4° |
| C28 | O27 | C26 | 119.9° | 117.0° |
| O27 | C28 | H19 | 109.5° | 109.5° |
| O27 | C28 | H20 | 109.5° | 109.5° |
| O27 | C28 | H21 | 109.5° | 109.4° |
| O27 | C26 | C23 | 119.7° | 120.0° |
| O27 | C26 | C29 | 120.3° | 120.0° |
| O24 | C23 | C26 | 120.0° | 120.1° |
| O24 | C23 | C22 | 119.7° | 120.2° |
| C23 | C26 | C29 | 120.0° | 120.0° |
| C26 | C23 | C22 | 120.3° | 119.7° |
| C26 | C29 | C30 | 120.2° | 120.4° |
| C26 | C29 | H22 | 119.9° | 119.8° |
| C23 | C22 | C21 | 119.2° | 120.2° |
| C23 | C22 | C40 | 119.9° | 119.6° |
| C29 | C30 | C40 | 119.3° | 120.3° |
| C29 | C30 | C31 | 121.6° | 119.8° |
| C30 | C29 | H22 | 119.9° | 119.8° |
| C21 | C22 | C40 | 121.0° | 120.2° |
| C22 | C21 | C20 | 121.8° | 120.0° |
| C22 | C21 | H15 | 119.1° | 120.0° |
| C22 | C40 | C30 | 120.4° | 120.0° |
| C22 | C40 | H26 | 119.8° | 120.1° |
| C14 | C15 | C16 | 120.1° | 120.0° |
| C15 | C14 | C13 | 119.8° | 120.0° |
| C14 | C15 | H5 | 120.0° | 120.0° |
| C15 | C14 | H6 | 120.1° | 120.0° |
| C15 | C16 | C17 | 120.1° | 120.1° |
| C15 | C16 | C18 | 119.9° | 120.0° |
| C16 | C15 | H5 | 119.9° | 119.9° |
| C17 | C16 | C18 | 119.9° | 120.0° |
| C16 | C17 | H2 | 109.5° | 109.4° |
| C16 | C17 | H3 | 109.5° | 109.5° |
| C16 | C17 | H4 | 109.5° | 109.4° |
| C21 | C20 | C02 | 119.7° | 120.0° |
| C21 | C20 | H14 | 120.1° | 120.0° |
| C20 | C21 | H15 | 119.1° | 120.0° |
| C40 | C30 | C31 | 119.1° | 119.8° |
| C30 | C40 | H26 | 119.8° | 120.0° |
| C30 | C31 | C32 | 116.4° | 109.5° |
| C30 | C31 | H23 | 107.7° | 109.5° |
| C30 | C31 | H24 | 107.7° | 109.5° |
| C14 | C13 | C12 | 120.1° | 120.0° |
| C14 | C13 | C19 | 120.0° | 120.0° |
| C13 | C14 | H6 | 120.1° | 120.0° |
| O01 | C02 | C20 | 120.4° | 120.0° |
| O01 | C02 | N03 | 119.6° | 120.0° |
| N34 | C33 | C32 | 119.6° | 119.3° |
| C33 | N34 | C35 | 120.9° | 120.9° |
| N34 | C33 | H25 | 120.2° | 120.4° |
| C33 | C32 | C31 | 121.4° | 120.8° |
| C33 | C32 | C38 | 118.0° | 118.5° |
| C32 | C33 | H25 | 120.2° | 120.3° |
| C16 | C18 | C19 | 119.9° | 120.0° |
| C16 | C18 | H12 | 120.1° | 120.0° |
| N34 | C35 | N36 | 119.5° | 119.2° |
| N34 | C35 | N37 | 121.0° | 121.7° |
| C20 | C02 | N03 | 120.0° | 120.0° |
| C02 | C20 | H14 | 120.2° | 120.0° |
| C31 | C32 | C38 | 120.6° | 120.7° |
| C32 | C31 | H23 | 107.7° | 109.5° |
| C32 | C31 | H24 | 107.7° | 109.4° |
| C02 | N03 | C12 | 119.7° | 120.3° |
| C02 | N03 | N04 | 120.5° | 120.2° |
| C32 | C38 | N37 | 119.4° | 119.0° |
| C32 | C38 | N39 | 121.0° | 120.5° |
| N36 | C35 | N37 | 119.5° | 119.1° |
| C35 | N36 | H27 | 109.5° | 120.1° |
| C35 | N36 | H28 | 109.5° | 120.0° |
| C35 | N37 | C38 | 121.2° | 120.6° |
| C12 | C13 | C19 | 119.9° | 120.0° |
| C13 | C12 | N03 | 114.4° | 109.8° |
| C13 | C12 | C11 | 110.4° | 109.6° |
| C13 | C12 | H1 | 106.9° | 109.6° |
| C13 | C19 | C18 | 120.1° | 120.0° |
| C13 | C19 | H13 | 119.9° | 120.0° |
| C19 | C18 | H12 | 120.0° | 120.0° |
| C18 | C19 | H13 | 119.9° | 120.0° |
| N37 | C38 | N39 | 119.6° | 120.5° |
| C38 | N39 | H29 | 109.5° | 120.1° |
| C38 | N39 | H30 | 109.5° | 120.0° |
| C12 | N03 | N04 | 119.8° | 119.5° |
| N03 | C12 | C11 | 110.7° | 108.4° |
| N03 | C12 | H1 | 107.4° | 109.7° |
| N03 | N04 | C05 | 120.0° | 119.9° |
| C12 | C11 | C10 | 120.5° | 120.9° |
| C12 | C11 | C06 | 119.0° | 119.1° |
| C11 | C12 | H1 | 106.6° | 109.6° |
| N04 | C05 | C06 | 119.5° | 119.6° |
| N04 | C05 | H7 | 120.3° | 120.3° |
| C10 | C11 | C06 | 120.4° | 120.1° |
| C11 | C10 | C09 | 119.6° | 119.9° |
| C11 | C10 | H11 | 120.2° | 120.1° |
| C11 | C06 | C05 | 120.0° | 119.4° |
| C11 | C06 | C07 | 119.8° | 119.7° |
| C10 | C09 | C08 | 120.2° | 120.4° |
| C10 | C09 | H10 | 119.9° | 119.8° |
| C09 | C10 | H11 | 120.2° | 120.0° |
| C05 | C06 | C07 | 120.2° | 120.8° |
| C06 | C05 | H7 | 120.2° | 120.2° |
| C06 | C07 | C08 | 119.7° | 119.6° |
| C06 | C07 | H8 | 120.1° | 120.2° |
| C09 | C08 | C07 | 120.3° | 120.2° |
| C09 | C08 | H9 | 119.9° | 119.9° |
| C08 | C09 | H10 | 119.9° | 119.8° |
| C08 | C07 | H8 | 120.1° | 120.2° |
| C07 | C08 | H9 | 119.9° | 119.9° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H2 | C17 | H4 | 109.5° | 109.5° |
| H3 | C17 | H4 | 109.4° | 109.5° |
| H16 | C25 | H17 | 109.5° | 109.5° |
| H16 | C25 | H18 | 109.4° | 109.5° |
| H17 | C25 | H18 | 109.5° | 109.4° |
| H19 | C28 | H20 | 109.5° | 109.5° |
| H19 | C28 | H21 | 109.5° | 109.5° |
| H20 | C28 | H21 | 109.4° | 109.5° |
| H23 | C31 | H24 | 109.5° | 109.5° |
| H27 | N36 | H28 | 109.5° | 120.0° |
| H29 | N39 | H30 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | O24 | C23 | C26 | 99.6° | 90.0° |
| C25 | O24 | C23 | C22 | 80.1° | 90.0° |
| O24 | C25 | H16 | H17 | 120.0° | 120.0° |
| O24 | C25 | H16 | H18 | 120.0° | 120.0° |
| O24 | C25 | H17 | H18 | 120.0° | 119.9° |
| C28 | O27 | C26 | C23 | 177.6° | 180.0° |
| C28 | O27 | C26 | C29 | 2.5° | 0.0° |
| O27 | C28 | H19 | H20 | 120.0° | 120.0° |
| O27 | C28 | H19 | H21 | 120.0° | 119.9° |
| O27 | C28 | H20 | H21 | 120.0° | 119.9° |
| O27 | C26 | C23 | O24 | 0.2° | 0.0° |
| O27 | C26 | C23 | C29 | 179.9° | 179.9° |
| O27 | C26 | C23 | C22 | 180.0° | 179.9° |
| O27 | C26 | C29 | C30 | 179.6° | 180.0° |
| C26 | O27 | C28 | H19 | 180.0° | 59.9° |
| C26 | O27 | C28 | H20 | 60.0° | 180.0° |
| C26 | O27 | C28 | H21 | 60.0° | 60.0° |
| O27 | C26 | C29 | H22 | 0.4° | 0.1° |
| O24 | C23 | C26 | C22 | 179.7° | 180.0° |
| O24 | C23 | C26 | C29 | 179.7° | 179.9° |
| O24 | C23 | C22 | C21 | 0.3° | 0.1° |
| O24 | C23 | C22 | C40 | 179.6° | 179.7° |
| C23 | O24 | C25 | H16 | 180.0° | 60.0° |
| C23 | O24 | C25 | H17 | 60.0° | 60.1° |
| C23 | O24 | C25 | H18 | 60.0° | 180.0° |
| C23 | C26 | C29 | C30 | 0.3° | 0.0° |
| C26 | C23 | C22 | C21 | 179.4° | 179.9° |
| C26 | C23 | C22 | C40 | 0.1° | 0.3° |
| C23 | C26 | C29 | H22 | 179.7° | 180.0° |
| C29 | C26 | C23 | C22 | 0.0° | 0.0° |
| C26 | C29 | C30 | H22 | 180.0° | 179.9° |
| C26 | C29 | C30 | C40 | 0.5° | 0.3° |
| C26 | C29 | C30 | C31 | 179.9° | 180.0° |
| C23 | C22 | C21 | C40 | 179.2° | 179.6° |
| C23 | C22 | C21 | C20 | 109.9° | 179.7° |
| C23 | C22 | C40 | C30 | 0.1° | 0.7° |
| C23 | C22 | C21 | H15 | 70.1° | 0.4° |
| C23 | C22 | C40 | H26 | 179.9° | 179.7° |
| C29 | C30 | C40 | C22 | 0.4° | 0.6° |
| C29 | C30 | C40 | C31 | 179.4° | 179.7° |
| C29 | C30 | C31 | C32 | 121.0° | 90.0° |
| C29 | C30 | C31 | H23 | 0.0° | 150.0° |
| C29 | C30 | C31 | H24 | 118.0° | 30.0° |
| C29 | C30 | C40 | H26 | 179.6° | 179.8° |
| C22 | C21 | C20 | H15 | 180.0° | 179.9° |
| C21 | C22 | C40 | C30 | 179.1° | 179.7° |
| C22 | C21 | C20 | C02 | 169.7° | 180.0° |
| C22 | C21 | C20 | H14 | 10.3° | 0.0° |
| C21 | C22 | C40 | H26 | 0.9° | 0.1° |
| C40 | C22 | C21 | C20 | 70.9° | 0.1° |
| C22 | C40 | C30 | H26 | 180.0° | 179.6° |
| C22 | C40 | C30 | C31 | 179.8° | 179.7° |
| C40 | C22 | C21 | H15 | 109.1° | 180.0° |
| C14 | C15 | C16 | H5 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 180.0° | 180.0° |
| C15 | C14 | C13 | H6 | 180.0° | 180.0° |
| C14 | C15 | C16 | C18 | 0.1° | 0.2° |
| C15 | C14 | C13 | C12 | 180.0° | 180.0° |
| C15 | C14 | C13 | C19 | 0.4° | 0.3° |
| C15 | C16 | C17 | C18 | 180.0° | 179.7° |
| C16 | C15 | C14 | C13 | 0.2° | 0.1° |
| C15 | C16 | C18 | C19 | 0.0° | 0.2° |
| C15 | C16 | C17 | H2 | 90.0° | 90.0° |
| C15 | C16 | C17 | H3 | 150.0° | 150.0° |
| C15 | C16 | C17 | H4 | 30.0° | 30.0° |
| C16 | C15 | C14 | H6 | 179.8° | 180.0° |
| C15 | C16 | C18 | H12 | 180.0° | 179.7° |
| C17 | C16 | C18 | C19 | 180.0° | 180.0° |
| C16 | C17 | H2 | H3 | 120.0° | 120.0° |
| C16 | C17 | H2 | H4 | 120.0° | 120.0° |
| C16 | C17 | H3 | H4 | 120.0° | 120.0° |
| C17 | C16 | C15 | H5 | 0.0° | 0.1° |
| C17 | C16 | C18 | H12 | 0.0° | 0.0° |
| C21 | C20 | C02 | O01 | 66.0° | 0.0° |
| C21 | C20 | C02 | H14 | 180.0° | 180.0° |
| C21 | C20 | C02 | N03 | 114.2° | 180.0° |
| C40 | C30 | C31 | C32 | 59.6° | 89.7° |
| C40 | C30 | C29 | H22 | 179.5° | 179.7° |
| C40 | C30 | C31 | H23 | 179.4° | 30.3° |
| C40 | C30 | C31 | H24 | 61.4° | 150.3° |
| C30 | C31 | C32 | C33 | 8.2° | 94.7° |
| C30 | C31 | C32 | H23 | 121.0° | 120.1° |
| C30 | C31 | C32 | H24 | 121.0° | 120.0° |
| C30 | C31 | C32 | C38 | 172.2° | 85.0° |
| C31 | C30 | C29 | H22 | 0.1° | 0.0° |
| C30 | C31 | H23 | H24 | 116.8° | 120.0° |
| C31 | C30 | C40 | H26 | 0.2° | 0.1° |
| C14 | C13 | C12 | C19 | 179.6° | 179.7° |
| C14 | C13 | C19 | C18 | 0.3° | 0.3° |
| C14 | C13 | C12 | N03 | 86.3° | 39.3° |
| C14 | C13 | C12 | C11 | 148.0° | 79.7° |
| C14 | C13 | C12 | H1 | 32.5° | 159.9° |
| C13 | C14 | C15 | H5 | 179.7° | 180.0° |
| C14 | C13 | C19 | H13 | 179.7° | 179.7° |
| O01 | C02 | C20 | N03 | 179.8° | 180.0° |
| O01 | C02 | N03 | C12 | 0.6° | 0.0° |
| O01 | C02 | N03 | N04 | 179.5° | 180.0° |
| O01 | C02 | C20 | H14 | 113.9° | 180.0° |
| N34 | C33 | C32 | H25 | 180.0° | 180.0° |
| N34 | C33 | C32 | C31 | 180.0° | 179.9° |
| N34 | C33 | C32 | C38 | 0.4° | 0.3° |
| C33 | N34 | C35 | N36 | 179.8° | 180.0° |
| C33 | N34 | C35 | N37 | 0.0° | 0.3° |
| C32 | C33 | N34 | C35 | 0.2° | 0.0° |
| C33 | C32 | C31 | C38 | 179.6° | 179.6° |
| C33 | C32 | C38 | N37 | 0.5° | 0.3° |
| C33 | C32 | C38 | N39 | 179.6° | 179.7° |
| C33 | C32 | C31 | H23 | 112.8° | 145.3° |
| C33 | C32 | C31 | H24 | 129.2° | 25.3° |
| C16 | C18 | C19 | C13 | 0.1° | 0.0° |
| C16 | C18 | C19 | H12 | 180.0° | 180.0° |
| C18 | C16 | C17 | H2 | 90.0° | 89.7° |
| C18 | C16 | C17 | H3 | 30.0° | 30.2° |
| C18 | C16 | C17 | H4 | 150.0° | 150.3° |
| C18 | C16 | C15 | H5 | 179.9° | 179.7° |
| C16 | C18 | C19 | H13 | 179.9° | 179.9° |
| N34 | C35 | N36 | N37 | 179.8° | 179.7° |
| N34 | C35 | N37 | C38 | 0.1° | 0.3° |
| C35 | N34 | C33 | H25 | 179.9° | 180.0° |
| N34 | C35 | N36 | H27 | 0.0° | 179.7° |
| N34 | C35 | N36 | H28 | 120.0° | 0.3° |
| C20 | C02 | N03 | C12 | 179.2° | 180.0° |
| C20 | C02 | N03 | N04 | 0.3° | 0.0° |
| C02 | C20 | C21 | H15 | 10.3° | 0.1° |
| C31 | C32 | C38 | N37 | 179.9° | 179.9° |
| C31 | C32 | C38 | N39 | 0.0° | 0.1° |
| C32 | C31 | H23 | H24 | 116.8° | 119.9° |
| C31 | C32 | C33 | H25 | 0.0° | 0.1° |
| C02 | N03 | C12 | C13 | 94.7° | 104.0° |
| C02 | N03 | C12 | N04 | 178.9° | 180.0° |
| C02 | N03 | C12 | C11 | 139.8° | 136.2° |
| C02 | N03 | N04 | C05 | 150.9° | 148.0° |
| C02 | N03 | C12 | H1 | 23.8° | 16.6° |
| N03 | C02 | C20 | H14 | 65.9° | 0.0° |
| C32 | C38 | N37 | C35 | 0.3° | 0.0° |
| C32 | C38 | N37 | N39 | 179.9° | 180.0° |
| C38 | C32 | C31 | H23 | 66.8° | 35.1° |
| C38 | C32 | C31 | H24 | 51.2° | 155.0° |
| C38 | C32 | C33 | H25 | 179.6° | 179.7° |
| C32 | C38 | N39 | H29 | 179.9° | 0.1° |
| C32 | C38 | N39 | H30 | 60.1° | 180.0° |
| N36 | C35 | N37 | C38 | 179.9° | 180.0° |
| C35 | N36 | H27 | H28 | 120.0° | 179.9° |
| C35 | N37 | C38 | N39 | 179.8° | 180.0° |
| N37 | C35 | N36 | H27 | 179.8° | 0.1° |
| N37 | C35 | N36 | H28 | 60.1° | 180.0° |
| C12 | C13 | C19 | C18 | 179.9° | 180.0° |
| C13 | C12 | N03 | C11 | 125.5° | 119.8° |
| C13 | C12 | N03 | H1 | 118.5° | 120.5° |
| C13 | C12 | N03 | N04 | 86.5° | 76.1° |
| C13 | C12 | C11 | H1 | 115.7° | 120.4° |
| C13 | C12 | C11 | C10 | 76.9° | 87.2° |
| C13 | C12 | C11 | C06 | 103.3° | 92.7° |
| C12 | C13 | C14 | H6 | 0.1° | 0.0° |
| C12 | C13 | C19 | H13 | 0.1° | 0.1° |
| C13 | C19 | C18 | H13 | 180.0° | 179.9° |
| C19 | C13 | C12 | N03 | 94.1° | 140.9° |
| C19 | C13 | C12 | C11 | 31.5° | 100.0° |
| C19 | C13 | C12 | H1 | 147.1° | 20.4° |
| C19 | C13 | C14 | H6 | 179.6° | 179.7° |
| C13 | C19 | C18 | H12 | 179.9° | 180.0° |
| N37 | C38 | N39 | H29 | 0.0° | 179.9° |
| N37 | C38 | N39 | H30 | 120.0° | 0.0° |
| C38 | N39 | H29 | H30 | 120.0° | 180.0° |
| N03 | C12 | C11 | H1 | 116.5° | 119.7° |
| C12 | N03 | N04 | C05 | 28.0° | 32.0° |
| N03 | C12 | C11 | C10 | 155.4° | 152.8° |
| N03 | C12 | C11 | C06 | 24.4° | 27.2° |
| N04 | N03 | C12 | C11 | 39.0° | 43.7° |
| N03 | N04 | C05 | C06 | 0.1° | 0.0° |
| N04 | N03 | C12 | H1 | 155.1° | 163.4° |
| N03 | N04 | C05 | H7 | 179.9° | 179.9° |
| C12 | C11 | C10 | C06 | 179.8° | 180.0° |
| C12 | C11 | C10 | C09 | 179.9° | 179.9° |
| C12 | C11 | C06 | C05 | 0.0° | 0.2° |
| C12 | C11 | C06 | C07 | 179.9° | 179.8° |
| C12 | C11 | C10 | H11 | 0.1° | 0.1° |
| N04 | C05 | C06 | C11 | 14.0° | 15.6° |
| N04 | C05 | C06 | H7 | 180.0° | 180.0° |
| N04 | C05 | C06 | C07 | 165.9° | 164.4° |
| C11 | C10 | C09 | H11 | 180.0° | 180.0° |
| C10 | C11 | C06 | C05 | 179.9° | 179.8° |
| C10 | C11 | C06 | C07 | 0.1° | 0.2° |
| C11 | C10 | C09 | C08 | 0.1° | 0.0° |
| C10 | C11 | C12 | H1 | 38.9° | 33.1° |
| C11 | C10 | C09 | H10 | 179.9° | 180.0° |
| C06 | C11 | C10 | C09 | 0.1° | 0.1° |
| C11 | C06 | C05 | C07 | 179.9° | 180.0° |
| C11 | C06 | C07 | C08 | 0.0° | 0.1° |
| C06 | C11 | C12 | H1 | 141.0° | 146.9° |
| C11 | C06 | C05 | H7 | 166.0° | 164.5° |
| C11 | C06 | C07 | H8 | 180.0° | 179.9° |
| C06 | C11 | C10 | H11 | 179.9° | 179.9° |
| C10 | C09 | C08 | H10 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 0.0° | 0.1° |
| C10 | C09 | C08 | H9 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 179.9° | 179.9° |
| C05 | C06 | C07 | H8 | 0.1° | 0.1° |
| C06 | C07 | C08 | C09 | 0.0° | 0.0° |
| C06 | C07 | C08 | H8 | 180.0° | 179.9° |
| C07 | C06 | C05 | H7 | 14.1° | 15.5° |
| C06 | C07 | C08 | H9 | 179.9° | 179.9° |
| C09 | C08 | C07 | H9 | 180.0° | 179.9° |
| C09 | C08 | C07 | H8 | 180.0° | 179.9° |
| C08 | C09 | C10 | H11 | 179.9° | 180.0° |
| C07 | C08 | C09 | H10 | 179.9° | 180.0° |
| H2 | C17 | H3 | H4 | 120.0° | 120.1° |
| H5 | C15 | C14 | H6 | 0.2° | 0.1° |
| H8 | C07 | C08 | H9 | 0.0° | 0.0° |
| H9 | C08 | C09 | H10 | 0.0° | 0.0° |
| H10 | C09 | C10 | H11 | 0.1° | 0.0° |
| H12 | C18 | C19 | H13 | 0.2° | 0.1° |
| H14 | C20 | C21 | H15 | 169.7° | 179.9° |
| H16 | C25 | H17 | H18 | 119.9° | 120.1° |
| H19 | C28 | H20 | H21 | 120.0° | 120.0° |
