US6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C45 | C27 | sing | 1.54Å | 1.54Å | |
| O26 | C25 | doub | 1.19Å | 1.19Å | |
| C27 | C25 | sing | 1.57Å | 1.57Å | |
| C27 | C28 | doub | 1.38Å | 1.38Å | |
| C40 | C33 | sing | 1.50Å | 1.50Å | |
| C44 | C29 | sing | 1.52Å | 1.52Å | |
| C29 | C28 | sing | 1.54Å | 1.54Å | |
| C29 | C30 | sing | 1.54Å | 1.54Å | |
| C25 | C15 | sing | 1.58Å | 1.58Å | |
| C31 | C42 | sing | 1.52Å | 1.52Å | |
| C31 | C30 | sing | 1.54Å | 1.54Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| O13 | C12 | doub | 1.18Å | 1.18Å | |
| C30 | O43 | sing | 1.39Å | 1.39Å | |
| C33 | C32 | sing | 1.55Å | 1.55Å | |
| C33 | C34 | sing | 1.54Å | 1.54Å | |
| C32 | O41 | sing | 1.38Å | 1.38Å | |
| O24 | C16 | sing | 1.41Å | 1.41Å | |
| C15 | C16 | doub | 1.42Å | 1.42Å | Aromatic |
| C15 | C14 | sing | 1.43Å | 1.43Å | Aromatic |
| C12 | C14 | sing | 1.57Å | 1.57Å | |
| C12 | C11 | sing | 1.52Å | 1.52Å | |
| C34 | O39 | sing | 1.39Å | 1.39Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.43Å | 1.43Å | Aromatic |
| C14 | C19 | doub | 1.43Å | 1.43Å | Aromatic |
| C11 | C10 | doub | 1.50Å | 1.50Å | |
| C38 | C35 | sing | 1.51Å | 1.51Å | |
| C35 | C36 | sing | 1.54Å | 1.54Å | |
| C17 | C23 | sing | 1.55Å | 1.55Å | |
| C17 | C18 | doub | 1.42Å | 1.42Å | Aromatic |
| O37 | C36 | sing | 1.38Å | 1.38Å | |
| C19 | C18 | sing | 1.43Å | 1.43Å | Aromatic |
| C19 | C20 | sing | 1.57Å | 1.57Å | |
| C10 | C20 | sing | 1.52Å | 1.52Å | |
| C10 | N09 | sing | 1.49Å | 1.49Å | |
| O08 | C07 | doub | 1.19Å | 1.19Å | |
| C36 | C02 | sing | 1.53Å | 1.53Å | |
| C18 | O22 | sing | 1.41Å | 1.41Å | |
| C20 | O21 | doub | 1.19Å | 1.19Å | |
| C07 | N09 | sing | 1.47Å | 1.47Å | |
| C07 | C06 | sing | 1.55Å | 1.55Å | |
| C02 | C03 | sing | 1.54Å | 1.54Å | |
| C02 | C01 | sing | 1.52Å | 1.52Å | |
| C06 | C46 | sing | 1.55Å | 1.55Å | |
| C06 | C05 | doub | 1.36Å | 1.36Å | |
| C04 | C03 | doub | 1.36Å | 1.36Å | |
| C04 | C05 | sing | 1.56Å | 1.56Å | |
| C01 | H1 | sing | 1.10Å | 1.10Å | |
| C01 | H2 | sing | 1.10Å | 1.10Å | |
| C01 | H3 | sing | 1.10Å | 1.10Å | |
| C02 | H4 | sing | 1.10Å | 1.10Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C23 | H9 | sing | 1.10Å | 1.10Å | |
| C23 | H10 | sing | 1.10Å | 1.10Å | |
| C23 | H11 | sing | 1.10Å | 1.10Å | |
| C28 | H12 | sing | 1.08Å | 1.08Å | |
| C29 | H13 | sing | 1.10Å | 1.10Å | |
| C30 | H14 | sing | 1.10Å | 1.10Å | |
| C31 | H15 | sing | 1.10Å | 1.10Å | |
| C32 | H16 | sing | 1.10Å | 1.10Å | |
| C33 | H17 | sing | 1.10Å | 1.10Å | |
| C34 | H18 | sing | 1.10Å | 1.10Å | |
| C35 | H19 | sing | 1.10Å | 1.10Å | |
| C36 | H20 | sing | 1.10Å | 1.10Å | |
| C38 | H21 | sing | 1.10Å | 1.10Å | |
| C38 | H22 | sing | 1.10Å | 1.10Å | |
| C38 | H23 | sing | 1.10Å | 1.10Å | |
| C40 | H24 | sing | 1.10Å | 1.10Å | |
| C40 | H25 | sing | 1.10Å | 1.10Å | |
| C40 | H26 | sing | 1.10Å | 1.10Å | |
| C42 | H27 | sing | 1.10Å | 1.10Å | |
| C42 | H28 | sing | 1.10Å | 1.10Å | |
| C42 | H29 | sing | 1.10Å | 1.10Å | |
| C44 | H30 | sing | 1.10Å | 1.10Å | |
| C44 | H31 | sing | 1.10Å | 1.10Å | |
| C44 | H32 | sing | 1.10Å | 1.10Å | |
| C45 | H33 | sing | 1.10Å | 1.10Å | |
| C45 | H34 | sing | 1.10Å | 1.10Å | |
| C45 | H35 | sing | 1.10Å | 1.10Å | |
| C46 | H36 | sing | 1.10Å | 1.10Å | |
| C46 | H37 | sing | 1.10Å | 1.10Å | |
| C46 | H38 | sing | 1.10Å | 1.10Å | |
| N09 | H39 | sing | 1.00Å | 1.00Å | |
| O22 | H40 | sing | 0.95Å | 0.95Å | |
| O24 | H41 | sing | 0.95Å | 0.95Å | |
| O37 | H42 | sing | 0.95Å | 0.95Å | |
| O39 | H43 | sing | 0.95Å | 0.95Å | |
| O41 | H44 | sing | 0.95Å | 0.95Å | |
| O43 | H45 | sing | 0.95Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C45 | C27 | C25 | 119.4° | 119.4° |
| C45 | C27 | C28 | 120.1° | 120.1° |
| C27 | C45 | H33 | 109.5° | 109.5° |
| C27 | C45 | H34 | 109.5° | 109.5° |
| C27 | C45 | H35 | 109.4° | 109.4° |
| O26 | C25 | C27 | 119.9° | 119.9° |
| O26 | C25 | C15 | 119.8° | 119.8° |
| C25 | C27 | C28 | 120.5° | 120.5° |
| C27 | C25 | C15 | 120.3° | 120.3° |
| C27 | C28 | C29 | 119.8° | 119.8° |
| C27 | C28 | H12 | 120.1° | 120.1° |
| C40 | C33 | C32 | 109.6° | 109.6° |
| C40 | C33 | C34 | 109.5° | 109.5° |
| C40 | C33 | H17 | 109.8° | 109.8° |
| C33 | C40 | H24 | 109.5° | 109.5° |
| C33 | C40 | H25 | 109.4° | 109.4° |
| C33 | C40 | H26 | 109.5° | 109.5° |
| C44 | C29 | C28 | 109.3° | 109.3° |
| C44 | C29 | C30 | 109.3° | 109.3° |
| C44 | C29 | H13 | 109.5° | 109.5° |
| C29 | C44 | H30 | 109.5° | 109.5° |
| C29 | C44 | H31 | 109.5° | 109.5° |
| C29 | C44 | H32 | 109.5° | 109.5° |
| C28 | C29 | C30 | 110.3° | 110.3° |
| C29 | C28 | H12 | 120.1° | 120.1° |
| C28 | C29 | H13 | 109.2° | 109.2° |
| C29 | C30 | C31 | 109.7° | 109.7° |
| C29 | C30 | O43 | 110.1° | 110.1° |
| C30 | C29 | H13 | 109.2° | 109.2° |
| C29 | C30 | H14 | 108.5° | 108.5° |
| C25 | C15 | C16 | 118.6° | 118.6° |
| C25 | C15 | C14 | 121.3° | 121.3° |
| C42 | C31 | C30 | 109.5° | 109.5° |
| C42 | C31 | C32 | 109.5° | 109.5° |
| C42 | C31 | H15 | 109.7° | 109.7° |
| C31 | C42 | H27 | 109.5° | 109.5° |
| C31 | C42 | H28 | 109.5° | 109.5° |
| C31 | C42 | H29 | 109.4° | 109.4° |
| C30 | C31 | C32 | 109.3° | 109.3° |
| C31 | C30 | O43 | 109.5° | 109.5° |
| C31 | C30 | H14 | 108.5° | 108.5° |
| C30 | C31 | H15 | 109.4° | 109.4° |
| C31 | C32 | C33 | 109.7° | 109.7° |
| C31 | C32 | O41 | 109.4° | 109.4° |
| C32 | C31 | H15 | 109.4° | 109.4° |
| C31 | C32 | H16 | 108.8° | 108.8° |
| O13 | C12 | C14 | 120.9° | 120.9° |
| O13 | C12 | C11 | 119.0° | 119.0° |
| O43 | C30 | H14 | 110.5° | 110.5° |
| C30 | O43 | H45 | 109.5° | 109.5° |
| C32 | C33 | C34 | 109.3° | 109.3° |
| C33 | C32 | O41 | 109.5° | 109.5° |
| C33 | C32 | H16 | 108.6° | 108.6° |
| C32 | C33 | H17 | 109.2° | 109.2° |
| C33 | C34 | O39 | 109.4° | 109.4° |
| C33 | C34 | C35 | 109.5° | 109.5° |
| C34 | C33 | H17 | 109.4° | 109.4° |
| C33 | C34 | H18 | 108.8° | 108.8° |
| O41 | C32 | H16 | 110.9° | 110.9° |
| C32 | O41 | H44 | 109.5° | 109.5° |
| O24 | C16 | C15 | 119.8° | 119.8° |
| O24 | C16 | C17 | 119.9° | 119.9° |
| C16 | O24 | H41 | 109.5° | 109.5° |
| C16 | C15 | C14 | 120.2° | 120.2° |
| C15 | C16 | C17 | 120.3° | 120.3° |
| C15 | C14 | C12 | 120.9° | 120.9° |
| C15 | C14 | C19 | 119.5° | 119.5° |
| C14 | C12 | C11 | 120.2° | 120.2° |
| C12 | C14 | C19 | 119.7° | 119.7° |
| C12 | C11 | C10 | 120.0° | 120.0° |
| C12 | C11 | H8 | 120.0° | 120.0° |
| O39 | C34 | C35 | 109.3° | 109.3° |
| O39 | C34 | H18 | 110.9° | 110.9° |
| C34 | O39 | H43 | 109.5° | 109.5° |
| C34 | C35 | C38 | 109.5° | 109.5° |
| C34 | C35 | C36 | 109.6° | 109.6° |
| C35 | C34 | H18 | 108.8° | 108.8° |
| C34 | C35 | H19 | 109.3° | 109.3° |
| C16 | C17 | C23 | 120.0° | 120.0° |
| C16 | C17 | C18 | 119.9° | 119.9° |
| C14 | C19 | C18 | 120.2° | 120.2° |
| C14 | C19 | C20 | 120.5° | 120.5° |
| C11 | C10 | C20 | 119.7° | 119.7° |
| C11 | C10 | N09 | 120.0° | 120.0° |
| C10 | C11 | H8 | 120.0° | 120.0° |
| C38 | C35 | C36 | 109.5° | 109.5° |
| C38 | C35 | H19 | 109.7° | 109.7° |
| C35 | C38 | H21 | 109.5° | 109.5° |
| C35 | C38 | H22 | 109.5° | 109.5° |
| C35 | C38 | H23 | 109.4° | 109.4° |
| C35 | C36 | O37 | 109.5° | 109.5° |
| C35 | C36 | C02 | 109.5° | 109.5° |
| C36 | C35 | H19 | 109.2° | 109.2° |
| C35 | C36 | H20 | 108.7° | 108.7° |
| C23 | C17 | C18 | 120.1° | 120.1° |
| C17 | C23 | H9 | 109.5° | 109.5° |
| C17 | C23 | H10 | 109.5° | 109.5° |
| C17 | C23 | H11 | 109.5° | 109.5° |
| C17 | C18 | C19 | 120.0° | 120.0° |
| C17 | C18 | O22 | 120.0° | 120.0° |
| O37 | C36 | C02 | 109.5° | 109.5° |
| O37 | C36 | H20 | 110.9° | 110.9° |
| C36 | O37 | H42 | 109.5° | 109.5° |
| C18 | C19 | C20 | 119.3° | 119.3° |
| C19 | C18 | O22 | 120.0° | 120.0° |
| C19 | C20 | C10 | 120.0° | 120.0° |
| C19 | C20 | O21 | 120.0° | 120.0° |
| C20 | C10 | N09 | 120.3° | 120.3° |
| C10 | C20 | O21 | 120.0° | 120.0° |
| C10 | N09 | C07 | 120.0° | 120.0° |
| C10 | N09 | H39 | 120.0° | 120.0° |
| O08 | C07 | N09 | 120.0° | 120.0° |
| O08 | C07 | C06 | 120.1° | 120.1° |
| C36 | C02 | C03 | 109.5° | 109.5° |
| C36 | C02 | C01 | 109.4° | 109.4° |
| C36 | C02 | H4 | 109.5° | 109.5° |
| C02 | C36 | H20 | 108.9° | 108.9° |
| C18 | O22 | H40 | 109.5° | 109.5° |
| N09 | C07 | C06 | 120.0° | 120.0° |
| C07 | N09 | H39 | 120.0° | 120.0° |
| C07 | C06 | C46 | 119.9° | 119.9° |
| C07 | C06 | C05 | 120.2° | 120.2° |
| C03 | C02 | C01 | 109.5° | 109.5° |
| C02 | C03 | C04 | 120.1° | 120.1° |
| C03 | C02 | H4 | 109.4° | 109.4° |
| C02 | C03 | H5 | 119.9° | 119.9° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.4° | 109.4° |
| C01 | C02 | H4 | 109.6° | 109.6° |
| C46 | C06 | C05 | 120.0° | 120.0° |
| C06 | C46 | H36 | 109.5° | 109.5° |
| C06 | C46 | H37 | 109.5° | 109.5° |
| C06 | C46 | H38 | 109.4° | 109.4° |
| C06 | C05 | C04 | 120.3° | 120.3° |
| C06 | C05 | H7 | 119.8° | 119.8° |
| C03 | C04 | C05 | 119.8° | 119.8° |
| C04 | C03 | H5 | 119.9° | 119.9° |
| C03 | C04 | H6 | 120.1° | 120.1° |
| C05 | C04 | H6 | 120.1° | 120.1° |
| C04 | C05 | H7 | 119.9° | 119.9° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H9 | C23 | H10 | 109.4° | 109.5° |
| H9 | C23 | H11 | 109.4° | 109.4° |
| H10 | C23 | H11 | 109.5° | 109.5° |
| H21 | C38 | H22 | 109.5° | 109.5° |
| H21 | C38 | H23 | 109.4° | 109.4° |
| H22 | C38 | H23 | 109.5° | 109.5° |
| H24 | C40 | H25 | 109.5° | 109.5° |
| H24 | C40 | H26 | 109.5° | 109.5° |
| H25 | C40 | H26 | 109.5° | 109.5° |
| H27 | C42 | H28 | 109.5° | 109.5° |
| H27 | C42 | H29 | 109.5° | 109.5° |
| H28 | C42 | H29 | 109.5° | 109.5° |
| H30 | C44 | H31 | 109.5° | 109.5° |
| H30 | C44 | H32 | 109.5° | 109.5° |
| H31 | C44 | H32 | 109.5° | 109.5° |
| H33 | C45 | H34 | 109.5° | 109.5° |
| H33 | C45 | H35 | 109.5° | 109.5° |
| H34 | C45 | H35 | 109.5° | 109.5° |
| H36 | C46 | H37 | 109.5° | 109.5° |
| H36 | C46 | H38 | 109.5° | 109.5° |
| H37 | C46 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C45 | C27 | C25 | O26 | 0.1° | 0.1° |
| C45 | C27 | C25 | C28 | 179.9° | 179.9° |
| C45 | C27 | C28 | C29 | 0.1° | 0.1° |
| C45 | C27 | C25 | C15 | 179.8° | 179.8° |
| C45 | C27 | C28 | H12 | 179.9° | 179.9° |
| C27 | C45 | H33 | H34 | 120.0° | 120.0° |
| C27 | C45 | H33 | H35 | 120.0° | 120.0° |
| C27 | C45 | H34 | H35 | 120.0° | 120.0° |
| O26 | C25 | C27 | C15 | 179.9° | 179.9° |
| O26 | C25 | C27 | C28 | 179.8° | 179.8° |
| O26 | C25 | C15 | C16 | 71.0° | 71.0° |
| O26 | C25 | C15 | C14 | 108.9° | 108.9° |
| C25 | C27 | C28 | C29 | 180.0° | 180.0° |
| C27 | C25 | C15 | C16 | 108.9° | 108.9° |
| C27 | C25 | C15 | C14 | 71.2° | 71.2° |
| C25 | C27 | C28 | H12 | 0.0° | 0.0° |
| C25 | C27 | C45 | H33 | 180.0° | 180.0° |
| C25 | C27 | C45 | H34 | 60.0° | 60.0° |
| C25 | C27 | C45 | H35 | 60.0° | 60.0° |
| C27 | C28 | C29 | C44 | 86.1° | 86.1° |
| C27 | C28 | C29 | H12 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 153.6° | 153.6° |
| C28 | C27 | C25 | C15 | 0.2° | 0.2° |
| C27 | C28 | C29 | H13 | 33.6° | 33.6° |
| C28 | C27 | C45 | H33 | 0.1° | 0.1° |
| C28 | C27 | C45 | H34 | 120.1° | 120.1° |
| C28 | C27 | C45 | H35 | 120.0° | 120.0° |
| C40 | C33 | C32 | C31 | 59.8° | 59.8° |
| C40 | C33 | C32 | C34 | 120.0° | 120.0° |
| C40 | C33 | C32 | H17 | 120.3° | 120.3° |
| C40 | C33 | C34 | H17 | 120.4° | 120.4° |
| C40 | C33 | C32 | O41 | 60.2° | 60.2° |
| C40 | C33 | C34 | O39 | 55.4° | 55.4° |
| C40 | C33 | C34 | C35 | 175.2° | 175.2° |
| C40 | C33 | C32 | H16 | 178.5° | 178.5° |
| C40 | C33 | C34 | H18 | 66.0° | 66.0° |
| C33 | C40 | H24 | H25 | 120.0° | 120.0° |
| C33 | C40 | H24 | H26 | 120.0° | 120.0° |
| C33 | C40 | H25 | H26 | 120.0° | 120.0° |
| C44 | C29 | C28 | C30 | 120.2° | 120.2° |
| C44 | C29 | C28 | H13 | 119.8° | 119.7° |
| C44 | C29 | C30 | H13 | 119.8° | 119.8° |
| C44 | C29 | C30 | C31 | 147.6° | 147.6° |
| C44 | C29 | C30 | O43 | 91.9° | 91.9° |
| C44 | C29 | C28 | H12 | 93.9° | 93.9° |
| C44 | C29 | C30 | H14 | 29.2° | 29.2° |
| C29 | C44 | H30 | H31 | 120.0° | 120.0° |
| C29 | C44 | H30 | H32 | 120.0° | 120.0° |
| C29 | C44 | H31 | H32 | 120.0° | 120.0° |
| C28 | C29 | C30 | H13 | 120.0° | 120.0° |
| C28 | C29 | C30 | C31 | 92.2° | 92.2° |
| C28 | C29 | C30 | O43 | 28.3° | 28.3° |
| C28 | C29 | C30 | H14 | 149.4° | 149.4° |
| C28 | C29 | C44 | H30 | 180.0° | 180.0° |
| C28 | C29 | C44 | H31 | 60.0° | 60.0° |
| C28 | C29 | C44 | H32 | 60.0° | 60.0° |
| C29 | C30 | C31 | C42 | 59.3° | 59.3° |
| C29 | C30 | C31 | O43 | 120.9° | 120.9° |
| C29 | C30 | C31 | H14 | 118.4° | 118.4° |
| C29 | C30 | C31 | C32 | 179.3° | 179.3° |
| C29 | C30 | O43 | H14 | 119.9° | 119.9° |
| C30 | C29 | C28 | H12 | 26.4° | 26.4° |
| C29 | C30 | C31 | H15 | 60.9° | 60.9° |
| C30 | C29 | C44 | H30 | 59.2° | 59.2° |
| C30 | C29 | C44 | H31 | 60.8° | 60.8° |
| C30 | C29 | C44 | H32 | 179.2° | 179.2° |
| C29 | C30 | O43 | H45 | 180.0° | 180.0° |
| C25 | C15 | C16 | O24 | 0.0° | 0.0° |
| C25 | C15 | C16 | C14 | 179.9° | 179.9° |
| C25 | C15 | C14 | C12 | 0.1° | 0.1° |
| C25 | C15 | C16 | C17 | 180.0° | 180.0° |
| C25 | C15 | C14 | C19 | 180.0° | 180.0° |
| C42 | C31 | C30 | C32 | 120.0° | 120.0° |
| C42 | C31 | C30 | H15 | 120.2° | 120.2° |
| C42 | C31 | C32 | H15 | 120.3° | 120.3° |
| C42 | C31 | C30 | O43 | 61.6° | 61.6° |
| C42 | C31 | C32 | C33 | 84.5° | 84.5° |
| C42 | C31 | C32 | O41 | 155.4° | 155.4° |
| C42 | C31 | C30 | H14 | 177.7° | 177.7° |
| C42 | C31 | C32 | H16 | 34.1° | 34.1° |
| C31 | C42 | H27 | H28 | 120.0° | 120.0° |
| C31 | C42 | H27 | H29 | 120.0° | 120.0° |
| C31 | C42 | H28 | H29 | 120.0° | 120.0° |
| C30 | C31 | C32 | H15 | 119.8° | 119.8° |
| C31 | C30 | O43 | H14 | 119.5° | 119.5° |
| C30 | C31 | C32 | C33 | 155.6° | 155.6° |
| C30 | C31 | C32 | O41 | 35.5° | 35.5° |
| C31 | C30 | C29 | H13 | 27.8° | 27.8° |
| C30 | C31 | C32 | H16 | 85.8° | 85.8° |
| C30 | C31 | C42 | H27 | 180.0° | 180.0° |
| C30 | C31 | C42 | H28 | 60.0° | 60.0° |
| C30 | C31 | C42 | H29 | 60.0° | 60.0° |
| C31 | C30 | O43 | H45 | 59.3° | 59.3° |
| C32 | C31 | C30 | O43 | 58.4° | 58.4° |
| C31 | C32 | C33 | O41 | 120.0° | 120.0° |
| C31 | C32 | C33 | H16 | 118.7° | 118.7° |
| C31 | C32 | C33 | C34 | 179.8° | 179.8° |
| C31 | C32 | O41 | H16 | 120.0° | 120.0° |
| C32 | C31 | C30 | H14 | 62.3° | 62.3° |
| C31 | C32 | C33 | H17 | 60.5° | 60.5° |
| C32 | C31 | C42 | H27 | 60.2° | 60.2° |
| C32 | C31 | C42 | H28 | 179.8° | 179.8° |
| C32 | C31 | C42 | H29 | 59.8° | 59.8° |
| C31 | C32 | O41 | H44 | 180.0° | 180.0° |
| O13 | C12 | C14 | C15 | 0.0° | 0.0° |
| O13 | C12 | C14 | C11 | 180.0° | 180.0° |
| O13 | C12 | C14 | C19 | 180.0° | 180.0° |
| O13 | C12 | C11 | C10 | 180.0° | 180.0° |
| O13 | C12 | C11 | H8 | 0.0° | 0.0° |
| O43 | C30 | C29 | H13 | 148.3° | 148.3° |
| O43 | C30 | C31 | H15 | 178.2° | 178.2° |
| C32 | C33 | C34 | H17 | 119.5° | 119.5° |
| C33 | C32 | O41 | H16 | 119.8° | 119.8° |
| C32 | C33 | C34 | O39 | 64.7° | 64.7° |
| C32 | C33 | C34 | C35 | 55.1° | 55.1° |
| C33 | C32 | C31 | H15 | 35.8° | 35.8° |
| C32 | C33 | C34 | H18 | 174.0° | 174.0° |
| C32 | C33 | C40 | H24 | 180.0° | 180.0° |
| C32 | C33 | C40 | H25 | 60.0° | 60.0° |
| C32 | C33 | C40 | H26 | 60.0° | 60.0° |
| C33 | C32 | O41 | H44 | 59.8° | 59.8° |
| C34 | C33 | C32 | O41 | 59.8° | 59.8° |
| C33 | C34 | O39 | C35 | 119.9° | 119.9° |
| C33 | C34 | O39 | H18 | 120.0° | 120.0° |
| C33 | C34 | C35 | H18 | 118.8° | 118.8° |
| C33 | C34 | C35 | C38 | 54.6° | 54.6° |
| C33 | C34 | C35 | C36 | 174.7° | 174.7° |
| C34 | C33 | C32 | H16 | 61.5° | 61.5° |
| C33 | C34 | C35 | H19 | 65.6° | 65.6° |
| C34 | C33 | C40 | H24 | 60.1° | 60.1° |
| C34 | C33 | C40 | H25 | 59.9° | 59.9° |
| C34 | C33 | C40 | H26 | 179.9° | 179.9° |
| C33 | C34 | O39 | H43 | 180.0° | 180.0° |
| O41 | C32 | C31 | H15 | 84.3° | 84.3° |
| O41 | C32 | C33 | H17 | 179.4° | 179.4° |
| O24 | C16 | C15 | C17 | 180.0° | 180.0° |
| O24 | C16 | C15 | C14 | 179.9° | 179.9° |
| O24 | C16 | C17 | C23 | 0.0° | 0.0° |
| O24 | C16 | C17 | C18 | 180.0° | 180.0° |
| C16 | C15 | C14 | C12 | 180.0° | 180.0° |
| C16 | C15 | C14 | C19 | 0.1° | 0.1° |
| C15 | C16 | C17 | C23 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.0° | 0.0° |
| C15 | C16 | O24 | H41 | 180.0° | 180.0° |
| C15 | C14 | C12 | C19 | 179.9° | 179.9° |
| C15 | C14 | C12 | C11 | 179.9° | 179.9° |
| C14 | C15 | C16 | C17 | 0.1° | 0.1° |
| C15 | C14 | C19 | C18 | 0.0° | 0.0° |
| C15 | C14 | C19 | C20 | 179.9° | 179.9° |
| C14 | C12 | C11 | C10 | 0.0° | 0.0° |
| C12 | C14 | C19 | C18 | 180.0° | 180.0° |
| C12 | C14 | C19 | C20 | 0.0° | 0.0° |
| C14 | C12 | C11 | H8 | 180.0° | 180.0° |
| C11 | C12 | C14 | C19 | 0.0° | 0.0° |
| C12 | C11 | C10 | H8 | 180.0° | 180.0° |
| C12 | C11 | C10 | C20 | 0.1° | 0.1° |
| C12 | C11 | C10 | N09 | 180.0° | 180.0° |
| O39 | C34 | C35 | H18 | 121.3° | 121.3° |
| O39 | C34 | C35 | C38 | 174.5° | 174.5° |
| O39 | C34 | C35 | C36 | 65.4° | 65.4° |
| O39 | C34 | C33 | H17 | 175.8° | 175.8° |
| O39 | C34 | C35 | H19 | 54.3° | 54.3° |
| C34 | C35 | C38 | C36 | 120.2° | 120.2° |
| C34 | C35 | C38 | H19 | 120.0° | 120.0° |
| C34 | C35 | C36 | H19 | 119.8° | 119.8° |
| C34 | C35 | C36 | O37 | 83.0° | 83.0° |
| C34 | C35 | C36 | C02 | 157.0° | 157.0° |
| C35 | C34 | C33 | H17 | 64.4° | 64.4° |
| C34 | C35 | C36 | H20 | 38.3° | 38.3° |
| C34 | C35 | C38 | H21 | 180.0° | 180.0° |
| C34 | C35 | C38 | H22 | 60.0° | 60.0° |
| C34 | C35 | C38 | H23 | 60.0° | 60.0° |
| C35 | C34 | O39 | H43 | 60.1° | 60.1° |
| C16 | C17 | C23 | C18 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.0° | 0.0° |
| C16 | C17 | C18 | O22 | 180.0° | 180.0° |
| C16 | C17 | C23 | H9 | 90.0° | 89.9° |
| C16 | C17 | C23 | H10 | 150.0° | 150.0° |
| C16 | C17 | C23 | H11 | 30.0° | 30.0° |
| C17 | C16 | O24 | H41 | 0.0° | 0.0° |
| C14 | C19 | C18 | C17 | 0.0° | 0.0° |
| C14 | C19 | C18 | C20 | 180.0° | 180.0° |
| C14 | C19 | C20 | C10 | 0.0° | 0.0° |
| C14 | C19 | C18 | O22 | 180.0° | 180.0° |
| C14 | C19 | C20 | O21 | 180.0° | 180.0° |
| C11 | C10 | C20 | C19 | 0.1° | 0.1° |
| C11 | C10 | C20 | N09 | 179.9° | 179.9° |
| C11 | C10 | C20 | O21 | 180.0° | 180.0° |
| C11 | C10 | N09 | C07 | 51.3° | 51.3° |
| C11 | C10 | N09 | H39 | 128.7° | 128.7° |
| C38 | C35 | C36 | H19 | 120.1° | 120.1° |
| C38 | C35 | C36 | O37 | 37.2° | 37.2° |
| C38 | C35 | C36 | C02 | 82.8° | 82.8° |
| C38 | C35 | C34 | H18 | 64.2° | 64.2° |
| C38 | C35 | C36 | H20 | 158.4° | 158.4° |
| C35 | C38 | H21 | H22 | 120.0° | 120.0° |
| C35 | C38 | H21 | H23 | 120.0° | 120.0° |
| C35 | C38 | H22 | H23 | 120.0° | 120.0° |
| C35 | C36 | O37 | C02 | 120.0° | 120.0° |
| C35 | C36 | O37 | H20 | 119.9° | 119.9° |
| C35 | C36 | C02 | H20 | 118.7° | 118.7° |
| C35 | C36 | C02 | C03 | 82.6° | 82.6° |
| C35 | C36 | C02 | C01 | 157.4° | 157.4° |
| C35 | C36 | C02 | H4 | 37.3° | 37.3° |
| C36 | C35 | C34 | H18 | 55.9° | 55.9° |
| C36 | C35 | C38 | H21 | 59.8° | 59.8° |
| C36 | C35 | C38 | H22 | 60.2° | 60.2° |
| C36 | C35 | C38 | H23 | 179.8° | 179.8° |
| C35 | C36 | O37 | H42 | 180.0° | 180.0° |
| C23 | C17 | C18 | C19 | 180.0° | 180.0° |
| C23 | C17 | C18 | O22 | 0.0° | 0.0° |
| C17 | C23 | H9 | H10 | 120.0° | 120.0° |
| C17 | C23 | H9 | H11 | 120.0° | 120.0° |
| C17 | C23 | H10 | H11 | 120.0° | 120.0° |
| C17 | C18 | C19 | O22 | 179.9° | 179.9° |
| C17 | C18 | C19 | C20 | 180.0° | 180.0° |
| C18 | C17 | C23 | H9 | 90.0° | 90.0° |
| C18 | C17 | C23 | H10 | 30.0° | 30.0° |
| C18 | C17 | C23 | H11 | 150.0° | 150.0° |
| C17 | C18 | O22 | H40 | 180.0° | 180.0° |
| O37 | C36 | C02 | H20 | 121.4° | 121.4° |
| O37 | C36 | C02 | C03 | 37.3° | 37.3° |
| O37 | C36 | C02 | C01 | 82.6° | 82.6° |
| O37 | C36 | C02 | H4 | 157.3° | 157.3° |
| O37 | C36 | C35 | H19 | 157.3° | 157.3° |
| C18 | C19 | C20 | C10 | 180.0° | 180.0° |
| C18 | C19 | C20 | O21 | 0.1° | 0.1° |
| C19 | C18 | O22 | H40 | 0.0° | 0.0° |
| C19 | C20 | C10 | O21 | 179.9° | 179.9° |
| C19 | C20 | C10 | N09 | 180.0° | 180.0° |
| C20 | C19 | C18 | O22 | 0.1° | 0.1° |
| C20 | C10 | N09 | C07 | 128.6° | 128.6° |
| C20 | C10 | C11 | H8 | 179.9° | 179.9° |
| C20 | C10 | N09 | H39 | 51.4° | 51.4° |
| C10 | N09 | C07 | O08 | 0.0° | 0.0° |
| N09 | C10 | C20 | O21 | 0.1° | 0.1° |
| C10 | N09 | C07 | H39 | 180.0° | 180.0° |
| C10 | N09 | C07 | C06 | 179.9° | 179.9° |
| N09 | C10 | C11 | H8 | 0.0° | 0.0° |
| O08 | C07 | N09 | C06 | 180.0° | 180.0° |
| O08 | C07 | C06 | C46 | 147.4° | 147.4° |
| O08 | C07 | C06 | C05 | 32.5° | 32.5° |
| O08 | C07 | N09 | H39 | 180.0° | 179.9° |
| C36 | C02 | C03 | C01 | 119.9° | 119.9° |
| C36 | C02 | C03 | H4 | 120.0° | 120.0° |
| C36 | C02 | C01 | H4 | 120.0° | 120.0° |
| C36 | C02 | C03 | C04 | 96.3° | 96.3° |
| C36 | C02 | C01 | H1 | 180.0° | 180.0° |
| C36 | C02 | C01 | H2 | 60.0° | 60.0° |
| C36 | C02 | C01 | H3 | 60.0° | 60.0° |
| C36 | C02 | C03 | H5 | 83.7° | 83.7° |
| C02 | C36 | C35 | H19 | 37.3° | 37.3° |
| C02 | C36 | O37 | H42 | 60.0° | 60.0° |
| N09 | C07 | C06 | C46 | 32.6° | 32.6° |
| N09 | C07 | C06 | C05 | 147.5° | 147.5° |
| C07 | C06 | C46 | C05 | 179.9° | 179.9° |
| C07 | C06 | C05 | C04 | 0.1° | 0.1° |
| C07 | C06 | C05 | H7 | 179.9° | 179.9° |
| C07 | C06 | C46 | H36 | 180.0° | 180.0° |
| C07 | C06 | C46 | H37 | 60.0° | 60.0° |
| C07 | C06 | C46 | H38 | 60.0° | 60.0° |
| C06 | C07 | N09 | H39 | 0.1° | 0.1° |
| C03 | C02 | C01 | H4 | 120.0° | 120.0° |
| C02 | C03 | C04 | H5 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 180.0° | 180.0° |
| C03 | C02 | C01 | H1 | 60.0° | 60.0° |
| C03 | C02 | C01 | H2 | 180.0° | 180.0° |
| C03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C02 | C03 | C04 | H6 | 0.0° | 0.0° |
| C03 | C02 | C36 | H20 | 158.7° | 158.7° |
| C01 | C02 | C03 | C04 | 143.8° | 143.8° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H5 | 36.2° | 36.2° |
| C01 | C02 | C36 | H20 | 38.8° | 38.8° |
| C46 | C06 | C05 | C04 | 179.9° | 179.9° |
| C46 | C06 | C05 | H7 | 0.0° | 0.0° |
| C06 | C46 | H36 | H37 | 120.0° | 120.0° |
| C06 | C46 | H36 | H38 | 120.0° | 120.0° |
| C06 | C46 | H37 | H38 | 120.0° | 120.0° |
| C06 | C05 | C04 | C03 | 161.1° | 161.1° |
| C06 | C05 | C04 | H7 | 180.0° | 180.0° |
| C06 | C05 | C04 | H6 | 18.9° | 18.9° |
| C05 | C06 | C46 | H36 | 0.1° | 0.1° |
| C05 | C06 | C46 | H37 | 119.9° | 119.9° |
| C05 | C06 | C46 | H38 | 120.1° | 120.1° |
| C03 | C04 | C05 | H6 | 180.0° | 180.0° |
| C04 | C03 | C02 | H4 | 23.7° | 23.7° |
| C03 | C04 | C05 | H7 | 18.9° | 18.9° |
| C05 | C04 | C03 | H5 | 0.0° | 0.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 60.0° | 60.0° |
| H2 | C01 | C02 | H4 | 60.0° | 60.0° |
| H3 | C01 | C02 | H4 | 180.0° | 180.0° |
| H4 | C02 | C03 | H5 | 156.3° | 156.3° |
| H4 | C02 | C36 | H20 | 81.3° | 81.3° |
| H5 | C03 | C04 | H6 | 180.0° | 180.0° |
| H6 | C04 | C05 | H7 | 161.1° | 161.1° |
| H9 | C23 | H10 | H11 | 119.9° | 119.9° |
| H12 | C28 | C29 | H13 | 146.3° | 146.4° |
| H13 | C29 | C30 | H14 | 90.6° | 90.6° |
| H13 | C29 | C44 | H30 | 60.4° | 60.5° |
| H13 | C29 | C44 | H31 | 179.6° | 179.5° |
| H13 | C29 | C44 | H32 | 59.6° | 59.5° |
| H14 | C30 | C31 | H15 | 57.5° | 57.5° |
| H14 | C30 | O43 | H45 | 60.1° | 60.1° |
| H15 | C31 | C32 | H16 | 154.4° | 154.4° |
| H15 | C31 | C42 | H27 | 59.9° | 59.9° |
| H15 | C31 | C42 | H28 | 60.1° | 60.1° |
| H15 | C31 | C42 | H29 | 179.9° | 179.9° |
| H16 | C32 | C33 | H17 | 58.2° | 58.2° |
| H16 | C32 | O41 | H44 | 60.0° | 60.0° |
| H17 | C33 | C34 | H18 | 54.4° | 54.4° |
| H17 | C33 | C40 | H24 | 60.0° | 60.0° |
| H17 | C33 | C40 | H25 | 179.9° | 179.9° |
| H17 | C33 | C40 | H26 | 60.0° | 60.0° |
| H18 | C34 | C35 | H19 | 175.6° | 175.6° |
| H18 | C34 | O39 | H43 | 59.9° | 59.9° |
| H19 | C35 | C36 | H20 | 81.5° | 81.5° |
| H19 | C35 | C38 | H21 | 60.0° | 60.0° |
| H19 | C35 | C38 | H22 | 180.0° | 180.0° |
| H19 | C35 | C38 | H23 | 60.0° | 60.0° |
| H20 | C36 | O37 | H42 | 60.1° | 60.1° |
| H21 | C38 | H22 | H23 | 120.0° | 120.0° |
| H24 | C40 | H25 | H26 | 120.0° | 120.0° |
| H27 | C42 | H28 | H29 | 120.0° | 120.0° |
| H30 | C44 | H31 | H32 | 120.0° | 120.0° |
| H33 | C45 | H34 | H35 | 120.0° | 120.0° |
| H36 | C46 | H37 | H38 | 120.0° | 120.0° |
