OWJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | O25 | sing | 1.43Å | 1.40Å | |
| C29 | O28 | sing | 1.43Å | 1.42Å | |
| O28 | C27 | sing | 1.36Å | 1.41Å | |
| O25 | C24 | sing | 1.36Å | 1.43Å | |
| C16 | C15 | sing | 1.51Å | 1.47Å | |
| C27 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C30 | sing | 1.38Å | 1.47Å | Aromatic |
| C24 | C23 | sing | 1.40Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.39Å | 1.35Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.43Å | Aromatic |
| C15 | C17 | sing | 1.38Å | 1.42Å | Aromatic |
| C23 | C22 | sing | 1.47Å | 1.53Å | |
| C23 | C41 | doub | 1.40Å | 1.43Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.35Å | 1.41Å | |
| C31 | C41 | sing | 1.38Å | 1.43Å | Aromatic |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| O01 | C02 | doub | 1.22Å | 1.23Å | |
| C34 | N35 | doub | 1.32Å | 1.35Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| N35 | C36 | sing | 1.32Å | 1.32Å | Aromatic |
| C21 | C02 | sing | 1.46Å | 1.54Å | |
| C02 | N03 | sing | 1.35Å | 1.47Å | |
| C32 | C33 | sing | 1.51Å | 1.53Å | |
| C33 | C39 | doub | 1.40Å | 1.38Å | Aromatic |
| C36 | N37 | sing | 1.38Å | 1.39Å | |
| C36 | N38 | doub | 1.32Å | 1.33Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.55Å | |
| C13 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C20 | sing | 1.38Å | 1.42Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| N03 | C12 | sing | 1.47Å | 1.45Å | |
| N03 | N04 | sing | 1.40Å | 1.37Å | |
| C39 | N38 | sing | 1.33Å | 1.35Å | Aromatic |
| C39 | N40 | sing | 1.39Å | 1.48Å | |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| N04 | C05 | doub | 1.30Å | 1.41Å | |
| C11 | C10 | doub | 1.38Å | 1.45Å | Aromatic |
| C11 | C06 | sing | 1.40Å | 1.33Å | Aromatic |
| C05 | C06 | sing | 1.48Å | 1.48Å | |
| C10 | C09 | sing | 1.39Å | 1.35Å | Aromatic |
| C06 | C07 | doub | 1.39Å | 1.44Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.37Å | Aromatic |
| C29 | H1 | sing | 1.09Å | 1.10Å | |
| C29 | H2 | sing | 1.09Å | 1.10Å | |
| C29 | H3 | sing | 1.09Å | 1.10Å | |
| C30 | H4 | sing | 1.08Å | 1.08Å | |
| C32 | H5 | sing | 1.09Å | 1.10Å | |
| C32 | H6 | sing | 1.09Å | 1.10Å | |
| C34 | H7 | sing | 1.08Å | 1.08Å | |
| C05 | H8 | sing | 1.08Å | 1.08Å | |
| C07 | H9 | sing | 1.08Å | 1.08Å | |
| C08 | H10 | sing | 1.08Å | 1.08Å | |
| C09 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C41 | H28 | sing | 1.08Å | 1.08Å | |
| N37 | H29 | sing | 0.97Å | 1.00Å | |
| N37 | H30 | sing | 0.97Å | 1.00Å | |
| N40 | H31 | sing | 0.97Å | 1.00Å | |
| N40 | H32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | O25 | C24 | 119.1° | 117.0° |
| O25 | C26 | H25 | 109.5° | 109.5° |
| O25 | C26 | H26 | 109.5° | 109.5° |
| O25 | C26 | H27 | 109.4° | 109.5° |
| C29 | O28 | C27 | 119.4° | 117.0° |
| O28 | C29 | H1 | 109.5° | 109.5° |
| O28 | C29 | H2 | 109.5° | 109.5° |
| O28 | C29 | H3 | 109.5° | 109.5° |
| O28 | C27 | C24 | 120.1° | 120.0° |
| O28 | C27 | C30 | 120.0° | 120.0° |
| O25 | C24 | C27 | 120.0° | 120.2° |
| O25 | C24 | C23 | 119.9° | 120.2° |
| C16 | C15 | C14 | 119.6° | 120.0° |
| C16 | C15 | C17 | 120.1° | 120.0° |
| C15 | C16 | H15 | 109.5° | 109.5° |
| C15 | C16 | H16 | 109.5° | 109.4° |
| C15 | C16 | H17 | 109.4° | 109.5° |
| C24 | C27 | C30 | 119.9° | 120.0° |
| C27 | C24 | C23 | 120.1° | 119.6° |
| C27 | C30 | C31 | 120.2° | 120.4° |
| C27 | C30 | H4 | 119.9° | 119.8° |
| C24 | C23 | C22 | 119.8° | 120.2° |
| C24 | C23 | C41 | 120.0° | 119.7° |
| C30 | C31 | C41 | 119.7° | 120.3° |
| C30 | C31 | C32 | 119.6° | 119.8° |
| C31 | C30 | H4 | 119.9° | 119.8° |
| C14 | C15 | C17 | 120.3° | 120.0° |
| C15 | C14 | C13 | 119.9° | 120.0° |
| C15 | C14 | H14 | 120.1° | 120.0° |
| C15 | C17 | C18 | 119.3° | 120.1° |
| C15 | C17 | H18 | 120.3° | 120.0° |
| C22 | C23 | C41 | 120.1° | 120.2° |
| C23 | C22 | C21 | 118.8° | 120.0° |
| C23 | C22 | H24 | 120.6° | 120.0° |
| C23 | C41 | C31 | 120.1° | 120.0° |
| C23 | C41 | H28 | 120.0° | 120.0° |
| C14 | C13 | C12 | 122.0° | 120.0° |
| C14 | C13 | C20 | 119.5° | 120.0° |
| C13 | C14 | H14 | 120.0° | 120.0° |
| C22 | C21 | C02 | 121.7° | 120.0° |
| C22 | C21 | H23 | 119.1° | 120.0° |
| C21 | C22 | H24 | 120.6° | 120.0° |
| C41 | C31 | C32 | 120.7° | 119.9° |
| C31 | C41 | H28 | 119.9° | 120.0° |
| C31 | C32 | C33 | 116.0° | 109.5° |
| C31 | C32 | H5 | 107.8° | 109.4° |
| C31 | C32 | H6 | 107.8° | 109.5° |
| O01 | C02 | C21 | 119.3° | 120.0° |
| O01 | C02 | N03 | 119.7° | 120.0° |
| N35 | C34 | C33 | 119.5° | 119.3° |
| C34 | N35 | C36 | 121.0° | 120.9° |
| N35 | C34 | H7 | 120.2° | 120.4° |
| C34 | C33 | C32 | 122.2° | 120.7° |
| C34 | C33 | C39 | 118.1° | 118.5° |
| C33 | C34 | H7 | 120.2° | 120.3° |
| C17 | C18 | C20 | 119.7° | 120.0° |
| C17 | C18 | C19 | 121.4° | 120.0° |
| C18 | C17 | H18 | 120.3° | 120.0° |
| N35 | C36 | N37 | 120.2° | 119.2° |
| N35 | C36 | N38 | 120.8° | 121.7° |
| C21 | C02 | N03 | 121.0° | 120.0° |
| C02 | C21 | H23 | 119.1° | 120.0° |
| C02 | N03 | C12 | 119.5° | 120.3° |
| C02 | N03 | N04 | 120.8° | 120.1° |
| C32 | C33 | C39 | 119.8° | 120.8° |
| C33 | C32 | H5 | 107.8° | 109.4° |
| C33 | C32 | H6 | 107.8° | 109.5° |
| C33 | C39 | N38 | 119.1° | 119.1° |
| C33 | C39 | N40 | 121.4° | 120.4° |
| N37 | C36 | N38 | 119.0° | 119.2° |
| C36 | N37 | H29 | 109.5° | 120.0° |
| C36 | N37 | H30 | 109.5° | 120.0° |
| C36 | N38 | C39 | 121.4° | 120.6° |
| C12 | C13 | C20 | 118.5° | 120.0° |
| C13 | C12 | N03 | 114.9° | 109.8° |
| C13 | C12 | C11 | 106.1° | 109.6° |
| C13 | C12 | H13 | 107.4° | 109.6° |
| C13 | C20 | C18 | 121.2° | 120.0° |
| C13 | C20 | H22 | 119.4° | 120.0° |
| C20 | C18 | C19 | 118.9° | 120.0° |
| C18 | C20 | H22 | 119.4° | 120.0° |
| C18 | C19 | H19 | 109.5° | 109.5° |
| C18 | C19 | H20 | 109.5° | 109.5° |
| C18 | C19 | H21 | 109.5° | 109.5° |
| C12 | N03 | N04 | 119.7° | 119.6° |
| N03 | C12 | C11 | 111.5° | 108.5° |
| N03 | C12 | H13 | 108.7° | 109.7° |
| N03 | N04 | C05 | 118.8° | 119.9° |
| N38 | C39 | N40 | 119.4° | 120.5° |
| C39 | N40 | H31 | 109.5° | 120.0° |
| C39 | N40 | H32 | 109.4° | 120.0° |
| C12 | C11 | C10 | 120.1° | 120.9° |
| C12 | C11 | C06 | 119.7° | 119.1° |
| C11 | C12 | H13 | 107.9° | 109.6° |
| N04 | C05 | C06 | 118.4° | 119.6° |
| N04 | C05 | H8 | 120.8° | 120.2° |
| C10 | C11 | C06 | 120.1° | 120.0° |
| C11 | C10 | C09 | 120.1° | 119.9° |
| C11 | C10 | H12 | 119.9° | 120.0° |
| C11 | C06 | C05 | 120.1° | 119.4° |
| C11 | C06 | C07 | 119.5° | 119.8° |
| C05 | C06 | C07 | 120.4° | 120.8° |
| C06 | C05 | H8 | 120.8° | 120.2° |
| C10 | C09 | C08 | 119.8° | 120.4° |
| C10 | C09 | H11 | 120.1° | 119.8° |
| C09 | C10 | H12 | 119.9° | 120.0° |
| C06 | C07 | C08 | 120.2° | 119.6° |
| C06 | C07 | H9 | 119.9° | 120.1° |
| C09 | C08 | C07 | 120.2° | 120.3° |
| C09 | C08 | H10 | 119.9° | 119.8° |
| C08 | C09 | H11 | 120.1° | 119.8° |
| C08 | C07 | H9 | 119.9° | 120.2° |
| C07 | C08 | H10 | 119.9° | 119.9° |
| H1 | C29 | H2 | 109.5° | 109.4° |
| H1 | C29 | H3 | 109.5° | 109.5° |
| H2 | C29 | H3 | 109.5° | 109.5° |
| H5 | C32 | H6 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H15 | C16 | H17 | 109.5° | 109.4° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H19 | C19 | H20 | 109.5° | 109.4° |
| H19 | C19 | H21 | 109.4° | 109.4° |
| H20 | C19 | H21 | 109.5° | 109.5° |
| H25 | C26 | H26 | 109.5° | 109.5° |
| H25 | C26 | H27 | 109.5° | 109.4° |
| H26 | C26 | H27 | 109.5° | 109.4° |
| H29 | N37 | H30 | 109.5° | 120.0° |
| H31 | N40 | H32 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | O25 | C24 | C27 | 86.2° | 90.3° |
| C26 | O25 | C24 | C23 | 93.3° | 90.0° |
| O25 | C26 | H25 | H26 | 120.0° | 120.1° |
| O25 | C26 | H25 | H27 | 120.0° | 120.0° |
| O25 | C26 | H26 | H27 | 120.0° | 120.0° |
| C29 | O28 | C27 | C24 | 174.3° | 180.0° |
| C29 | O28 | C27 | C30 | 5.4° | 0.1° |
| O28 | C29 | H1 | H2 | 120.0° | 120.0° |
| O28 | C29 | H1 | H3 | 120.0° | 120.0° |
| O28 | C29 | H2 | H3 | 120.0° | 120.0° |
| O28 | C27 | C24 | O25 | 0.5° | 0.2° |
| O28 | C27 | C24 | C30 | 179.6° | 179.9° |
| O28 | C27 | C24 | C23 | 179.9° | 179.5° |
| O28 | C27 | C30 | C31 | 179.9° | 180.0° |
| C27 | O28 | C29 | H1 | 180.0° | 60.0° |
| C27 | O28 | C29 | H2 | 60.0° | 60.0° |
| C27 | O28 | C29 | H3 | 60.0° | 180.0° |
| O28 | C27 | C30 | H4 | 0.1° | 0.2° |
| O25 | C24 | C27 | C23 | 179.5° | 179.7° |
| O25 | C24 | C27 | C30 | 179.8° | 179.7° |
| O25 | C24 | C23 | C22 | 0.4° | 0.0° |
| O25 | C24 | C23 | C41 | 180.0° | 179.5° |
| C24 | O25 | C26 | H25 | 180.0° | 60.0° |
| C24 | O25 | C26 | H26 | 60.0° | 60.1° |
| C24 | O25 | C26 | H27 | 60.0° | 180.0° |
| C16 | C15 | C14 | C17 | 179.9° | 179.9° |
| C16 | C15 | C14 | C13 | 179.9° | 180.0° |
| C16 | C15 | C17 | C18 | 179.9° | 180.0° |
| C16 | C15 | C14 | H14 | 0.2° | 0.1° |
| C15 | C16 | H15 | H16 | 120.0° | 120.0° |
| C15 | C16 | H15 | H17 | 120.0° | 120.0° |
| C15 | C16 | H16 | H17 | 120.0° | 120.0° |
| C16 | C15 | C17 | H18 | 0.1° | 0.1° |
| C24 | C27 | C30 | C31 | 0.4° | 0.1° |
| C27 | C24 | C23 | C22 | 180.0° | 179.7° |
| C27 | C24 | C23 | C41 | 0.5° | 0.8° |
| C24 | C27 | C30 | H4 | 179.6° | 179.7° |
| C30 | C27 | C24 | C23 | 0.3° | 0.6° |
| C27 | C30 | C31 | H4 | 180.0° | 179.8° |
| C27 | C30 | C31 | C41 | 0.7° | 0.2° |
| C27 | C30 | C31 | C32 | 179.8° | 179.8° |
| C24 | C23 | C22 | C41 | 179.5° | 179.5° |
| C24 | C23 | C22 | C21 | 70.8° | 179.4° |
| C24 | C23 | C41 | C31 | 0.8° | 0.5° |
| C24 | C23 | C22 | H24 | 109.2° | 0.5° |
| C24 | C23 | C41 | H28 | 179.2° | 179.5° |
| C30 | C31 | C41 | C23 | 0.9° | 0.0° |
| C30 | C31 | C41 | C32 | 179.1° | 180.0° |
| C30 | C31 | C32 | C33 | 122.0° | 90.0° |
| C30 | C31 | C32 | H5 | 1.1° | 150.0° |
| C30 | C31 | C32 | H6 | 117.0° | 30.0° |
| C30 | C31 | C41 | H28 | 179.1° | 180.0° |
| C15 | C14 | C13 | H14 | 180.0° | 179.9° |
| C14 | C15 | C17 | C18 | 0.0° | 0.1° |
| C15 | C14 | C13 | C12 | 179.6° | 180.0° |
| C15 | C14 | C13 | C20 | 0.3° | 0.3° |
| C14 | C15 | C16 | H15 | 90.0° | 90.0° |
| C14 | C15 | C16 | H16 | 150.0° | 150.0° |
| C14 | C15 | C16 | H17 | 29.9° | 30.0° |
| C14 | C15 | C17 | H18 | 180.0° | 180.0° |
| C17 | C15 | C14 | C13 | 0.2° | 0.1° |
| C15 | C17 | C18 | H18 | 180.0° | 179.9° |
| C15 | C17 | C18 | C20 | 0.1° | 0.3° |
| C15 | C17 | C18 | C19 | 179.9° | 179.9° |
| C17 | C15 | C14 | H14 | 179.7° | 180.0° |
| C17 | C15 | C16 | H15 | 90.0° | 90.0° |
| C17 | C15 | C16 | H16 | 29.9° | 30.0° |
| C17 | C15 | C16 | H17 | 150.0° | 150.1° |
| C23 | C22 | C21 | H24 | 180.0° | 180.0° |
| C22 | C23 | C41 | C31 | 179.7° | 180.0° |
| C23 | C22 | C21 | C02 | 171.0° | 180.0° |
| C23 | C22 | C21 | H23 | 9.0° | 0.0° |
| C22 | C23 | C41 | H28 | 0.3° | 0.0° |
| C41 | C23 | C22 | C21 | 108.7° | 0.0° |
| C23 | C41 | C31 | H28 | 180.0° | 180.0° |
| C23 | C41 | C31 | C32 | 180.0° | 180.0° |
| C41 | C23 | C22 | H24 | 71.2° | 180.0° |
| C14 | C13 | C12 | C20 | 179.3° | 179.7° |
| C14 | C13 | C20 | C18 | 0.2° | 0.5° |
| C14 | C13 | C12 | N03 | 71.5° | 39.4° |
| C14 | C13 | C12 | C11 | 164.8° | 79.7° |
| C14 | C13 | C12 | H13 | 49.6° | 159.9° |
| C14 | C13 | C20 | H22 | 179.9° | 179.7° |
| C22 | C21 | C02 | O01 | 111.7° | 0.1° |
| C22 | C21 | C02 | H23 | 180.0° | 180.0° |
| C22 | C21 | C02 | N03 | 68.5° | 180.0° |
| C41 | C31 | C32 | C33 | 58.8° | 89.9° |
| C41 | C31 | C30 | H4 | 179.3° | 180.0° |
| C41 | C31 | C32 | H5 | 179.8° | 30.0° |
| C41 | C31 | C32 | H6 | 62.1° | 150.0° |
| C31 | C32 | C33 | C34 | 14.8° | 95.0° |
| C31 | C32 | C33 | H5 | 120.9° | 119.9° |
| C31 | C32 | C33 | H6 | 121.0° | 120.1° |
| C31 | C32 | C33 | C39 | 165.5° | 84.9° |
| C32 | C31 | C30 | H4 | 0.1° | 0.0° |
| C31 | C32 | H5 | H6 | 117.1° | 120.0° |
| C32 | C31 | C41 | H28 | 0.0° | 0.0° |
| O01 | C02 | C21 | N03 | 179.8° | 179.9° |
| O01 | C02 | N03 | C12 | 1.0° | 0.1° |
| O01 | C02 | N03 | N04 | 179.1° | 179.8° |
| O01 | C02 | C21 | H23 | 68.3° | 180.0° |
| N35 | C34 | C33 | H7 | 180.0° | 179.8° |
| N35 | C34 | C33 | C32 | 179.9° | 179.9° |
| N35 | C34 | C33 | C39 | 0.4° | 0.0° |
| C34 | N35 | C36 | N37 | 179.8° | 179.9° |
| C34 | N35 | C36 | N38 | 0.4° | 0.0° |
| C33 | C34 | N35 | C36 | 0.5° | 0.0° |
| C34 | C33 | C32 | C39 | 179.7° | 179.9° |
| C34 | C33 | C39 | N38 | 0.4° | 0.0° |
| C34 | C33 | C39 | N40 | 179.6° | 180.0° |
| C34 | C33 | C32 | H5 | 106.1° | 145.1° |
| C34 | C33 | C32 | H6 | 135.8° | 25.1° |
| C17 | C18 | C20 | C13 | 0.1° | 0.5° |
| C17 | C18 | C20 | C19 | 180.0° | 179.7° |
| C17 | C18 | C19 | H19 | 90.0° | 90.0° |
| C17 | C18 | C19 | H20 | 150.0° | 150.0° |
| C17 | C18 | C19 | H21 | 30.0° | 30.0° |
| C17 | C18 | C20 | H22 | 179.9° | 179.7° |
| N35 | C36 | N37 | N38 | 179.4° | 179.9° |
| N35 | C36 | N38 | C39 | 0.4° | 0.0° |
| C36 | N35 | C34 | H7 | 179.5° | 179.8° |
| N35 | C36 | N37 | H29 | 0.0° | 180.0° |
| N35 | C36 | N37 | H30 | 120.0° | 0.1° |
| C21 | C02 | N03 | C12 | 178.8° | 180.0° |
| C21 | C02 | N03 | N04 | 0.7° | 0.1° |
| C02 | C21 | C22 | H24 | 9.0° | 0.1° |
| C02 | N03 | C12 | C13 | 100.6° | 103.9° |
| C02 | N03 | C12 | N04 | 178.1° | 179.9° |
| C02 | N03 | C12 | C11 | 138.6° | 136.3° |
| C02 | N03 | N04 | C05 | 153.8° | 148.4° |
| C02 | N03 | C12 | H13 | 19.8° | 16.6° |
| N03 | C02 | C21 | H23 | 111.5° | 0.1° |
| C32 | C33 | C39 | N38 | 179.9° | 179.9° |
| C32 | C33 | C39 | N40 | 0.1° | 0.0° |
| C33 | C32 | H5 | H6 | 117.0° | 120.0° |
| C32 | C33 | C34 | H7 | 0.1° | 0.3° |
| C33 | C39 | N38 | C36 | 0.3° | 0.0° |
| C33 | C39 | N38 | N40 | 180.0° | 180.0° |
| C39 | C33 | C32 | H5 | 73.6° | 35.0° |
| C39 | C33 | C32 | H6 | 44.5° | 155.0° |
| C39 | C33 | C34 | H7 | 179.6° | 179.8° |
| C33 | C39 | N40 | H31 | 180.0° | 180.0° |
| C33 | C39 | N40 | H32 | 60.0° | 0.1° |
| N37 | C36 | N38 | C39 | 179.8° | 180.0° |
| C36 | N37 | H29 | H30 | 120.0° | 180.0° |
| C36 | N38 | C39 | N40 | 179.6° | 179.9° |
| N38 | C36 | N37 | H29 | 179.4° | 0.0° |
| N38 | C36 | N37 | H30 | 60.6° | 180.0° |
| C12 | C13 | C20 | C18 | 179.5° | 179.7° |
| C13 | C12 | N03 | C11 | 120.8° | 119.8° |
| C13 | C12 | N03 | H13 | 120.4° | 120.5° |
| C13 | C12 | N03 | N04 | 81.3° | 76.3° |
| C13 | C12 | C11 | H13 | 114.9° | 120.4° |
| C13 | C12 | C11 | C10 | 81.3° | 87.2° |
| C13 | C12 | C11 | C06 | 99.1° | 92.6° |
| C12 | C13 | C14 | H14 | 0.4° | 0.0° |
| C12 | C13 | C20 | H22 | 0.5° | 0.0° |
| C13 | C20 | C18 | H22 | 180.0° | 179.8° |
| C13 | C20 | C18 | C19 | 179.9° | 179.7° |
| C20 | C13 | C12 | N03 | 109.2° | 140.9° |
| C20 | C13 | C12 | C11 | 14.5° | 100.0° |
| C20 | C13 | C12 | H13 | 129.7° | 20.4° |
| C20 | C13 | C14 | H14 | 179.7° | 179.8° |
| C20 | C18 | C17 | H18 | 179.9° | 179.7° |
| C20 | C18 | C19 | H19 | 90.0° | 89.7° |
| C20 | C18 | C19 | H20 | 30.0° | 30.2° |
| C20 | C18 | C19 | H21 | 150.0° | 150.3° |
| C19 | C18 | C17 | H18 | 0.1° | 0.0° |
| C18 | C19 | H19 | H20 | 120.0° | 120.0° |
| C18 | C19 | H19 | H21 | 120.0° | 120.0° |
| C18 | C19 | H20 | H21 | 120.0° | 120.0° |
| C19 | C18 | C20 | H22 | 0.1° | 0.0° |
| N03 | C12 | C11 | H13 | 119.3° | 119.7° |
| C12 | N03 | N04 | C05 | 24.3° | 31.4° |
| N03 | C12 | C11 | C10 | 152.9° | 152.9° |
| N03 | C12 | C11 | C06 | 26.7° | 27.3° |
| N04 | N03 | C12 | C11 | 39.5° | 43.5° |
| N03 | N04 | C05 | C06 | 5.4° | 0.5° |
| N03 | N04 | C05 | H8 | 174.7° | 179.9° |
| N04 | N03 | C12 | H13 | 158.3° | 163.2° |
| N38 | C39 | N40 | H31 | 0.0° | 0.0° |
| N38 | C39 | N40 | H32 | 120.0° | 180.0° |
| C39 | N40 | H31 | H32 | 120.0° | 179.9° |
| C12 | C11 | C10 | C06 | 179.6° | 179.8° |
| C12 | C11 | C06 | C05 | 0.2° | 0.3° |
| C12 | C11 | C10 | C09 | 179.7° | 179.7° |
| C12 | C11 | C06 | C07 | 179.8° | 179.7° |
| C12 | C11 | C10 | H12 | 0.3° | 0.2° |
| N04 | C05 | C06 | C11 | 17.6° | 15.7° |
| N04 | C05 | C06 | H8 | 180.0° | 179.6° |
| N04 | C05 | C06 | C07 | 162.8° | 164.2° |
| C10 | C11 | C06 | C05 | 179.8° | 179.8° |
| C11 | C10 | C09 | H12 | 180.0° | 179.9° |
| C10 | C11 | C06 | C07 | 0.7° | 0.1° |
| C11 | C10 | C09 | C08 | 0.5° | 0.0° |
| C11 | C10 | C09 | H11 | 179.5° | 180.0° |
| C10 | C11 | C12 | H13 | 33.6° | 33.2° |
| C11 | C06 | C05 | C07 | 179.5° | 180.0° |
| C06 | C11 | C10 | C09 | 0.7° | 0.1° |
| C11 | C06 | C07 | C08 | 0.4° | 0.1° |
| C11 | C06 | C05 | H8 | 162.4° | 164.7° |
| C11 | C06 | C07 | H9 | 179.5° | 179.9° |
| C06 | C11 | C10 | H12 | 179.3° | 180.0° |
| C06 | C11 | C12 | H13 | 146.0° | 147.0° |
| C05 | C06 | C07 | C08 | 180.0° | 179.9° |
| C05 | C06 | C07 | H9 | 0.0° | 0.2° |
| C10 | C09 | C08 | H11 | 180.0° | 180.0° |
| C10 | C09 | C08 | C07 | 0.2° | 0.1° |
| C10 | C09 | C08 | H10 | 179.8° | 179.9° |
| C06 | C07 | C08 | C09 | 0.2° | 0.1° |
| C06 | C07 | C08 | H9 | 180.0° | 179.9° |
| C07 | C06 | C05 | H8 | 17.2° | 15.4° |
| C06 | C07 | C08 | H10 | 179.8° | 179.9° |
| C09 | C08 | C07 | H10 | 180.0° | 180.0° |
| C09 | C08 | C07 | H9 | 179.8° | 180.0° |
| C08 | C09 | C10 | H12 | 179.5° | 179.9° |
| C07 | C08 | C09 | H11 | 179.8° | 180.0° |
| H1 | C29 | H2 | H3 | 120.0° | 120.0° |
| H9 | C07 | C08 | H10 | 0.2° | 0.0° |
| H10 | C08 | C09 | H11 | 0.2° | 0.0° |
| H11 | C09 | C10 | H12 | 0.4° | 0.1° |
| H15 | C16 | H16 | H17 | 120.0° | 120.0° |
| H19 | C19 | H20 | H21 | 120.0° | 120.0° |
| H23 | C21 | C22 | H24 | 171.0° | 180.0° |
| H25 | C26 | H26 | H27 | 120.0° | 119.9° |
