03D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C1 | sing | 1.53Å | 1.55Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | O10 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | O11 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.51Å | 1.60Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C9 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.35Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | C6 | sing | 1.38Å | 1.34Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | C7 | doub | 1.38Å | 1.34Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | C8 | sing | 1.38Å | 1.36Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| O10 | HO10 | sing | 0.97Å | 0.95Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| O19 | C12 | doub | 1.21Å | 1.21Å | |
| C12 | N29 | sing | 1.35Å | 1.35Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C18 | C13 | sing | 1.53Å | 1.58Å | |
| C13 | C14 | sing | 1.53Å | 1.57Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C16 | C15 | sing | 1.53Å | 1.48Å | |
| C15 | C17 | sing | 1.53Å | 1.48Å | |
| C15 | C18 | sing | 1.53Å | 1.55Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.47Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C31 | C20 | sing | 1.53Å | 1.55Å | |
| C20 | O30 | sing | 1.43Å | 1.44Å | |
| C20 | C21 | sing | 1.53Å | 1.61Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | N29 | sing | 1.46Å | 1.47Å | |
| C21 | C22 | sing | 1.53Å | 1.58Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.56Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C28 | C23 | sing | 1.53Å | 1.57Å | |
| C23 | C24 | sing | 1.53Å | 1.57Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.57Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C26 | C25 | sing | 1.53Å | 1.56Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C27 | C26 | sing | 1.53Å | 1.55Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| N29 | HN29 | sing | 0.97Å | 1.00Å | |
| O30 | HO30 | sing | 0.97Å | 0.95Å | |
| C32 | C31 | sing | 1.53Å | 1.56Å | |
| O36 | C31 | sing | 1.43Å | 1.44Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | C32 | sing | 1.53Å | 1.54Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C33 | C35 | sing | 1.53Å | 1.53Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| O36 | HO36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C1 | C2 | 114.3° | 109.4° |
| C14 | C1 | O10 | 110.0° | 109.5° |
| C14 | C1 | H1 | 104.4° | 109.4° |
| C1 | C14 | C13 | 115.4° | 109.5° |
| C1 | C14 | H14 | 107.6° | 109.5° |
| C1 | C14 | H14A | 107.6° | 109.5° |
| C2 | C1 | O10 | 104.6° | 109.5° |
| C2 | C1 | H1 | 109.8° | 109.4° |
| C1 | C2 | O11 | 107.7° | 109.4° |
| C1 | C2 | C3 | 110.3° | 109.4° |
| C1 | C2 | H2 | 109.2° | 109.5° |
| O10 | C1 | H1 | 114.1° | 109.5° |
| C1 | O10 | HO10 | 109.5° | 114.0° |
| O11 | C2 | C3 | 106.7° | 109.5° |
| O11 | C2 | H2 | 112.6° | 109.5° |
| C2 | O11 | HO11 | 109.5° | 114.0° |
| C3 | C2 | H2 | 110.1° | 109.5° |
| C2 | C3 | C4 | 109.5° | 109.4° |
| C2 | C3 | H3 | 109.5° | 109.5° |
| C2 | C3 | H3A | 109.5° | 109.5° |
| C4 | C3 | H3 | 109.5° | 109.4° |
| C4 | C3 | H3A | 109.5° | 109.5° |
| C3 | C4 | C9 | 121.4° | 120.0° |
| C3 | C4 | C5 | 119.9° | 120.0° |
| H3 | C3 | H3A | 109.4° | 109.5° |
| C9 | C4 | C5 | 118.4° | 120.0° |
| C4 | C9 | C8 | 120.0° | 120.0° |
| C4 | C9 | H9 | 120.0° | 120.0° |
| C4 | C5 | C6 | 120.2° | 120.0° |
| C4 | C5 | H5 | 119.9° | 120.0° |
| C6 | C5 | H5 | 119.9° | 120.0° |
| C5 | C6 | C7 | 120.6° | 120.0° |
| C5 | C6 | H6 | 119.7° | 119.9° |
| C7 | C6 | H6 | 119.7° | 120.0° |
| C6 | C7 | C8 | 119.6° | 120.0° |
| C6 | C7 | H7 | 120.2° | 120.0° |
| C8 | C7 | H7 | 120.2° | 120.0° |
| C7 | C8 | C9 | 121.1° | 120.0° |
| C7 | C8 | H8 | 119.5° | 120.0° |
| C9 | C8 | H8 | 119.4° | 120.0° |
| C8 | C9 | H9 | 120.0° | 120.0° |
| O19 | C12 | N29 | 121.2° | 120.0° |
| O19 | C12 | C13 | 121.4° | 120.0° |
| N29 | C12 | C13 | 117.3° | 120.0° |
| C12 | N29 | C21 | 120.2° | 120.0° |
| C12 | N29 | HN29 | 119.9° | 120.0° |
| C12 | C13 | C18 | 108.1° | 109.5° |
| C12 | C13 | C14 | 111.7° | 109.5° |
| C12 | C13 | H13 | 110.2° | 109.5° |
| C18 | C13 | C14 | 113.0° | 109.5° |
| C18 | C13 | H13 | 108.8° | 109.5° |
| C13 | C18 | C15 | 112.8° | 109.4° |
| C13 | C18 | H18 | 108.4° | 109.5° |
| C13 | C18 | H18A | 108.4° | 109.4° |
| C14 | C13 | H13 | 105.0° | 109.4° |
| C13 | C14 | H14 | 107.6° | 109.4° |
| C13 | C14 | H14A | 107.5° | 109.5° |
| H14 | C14 | H14A | 111.3° | 109.5° |
| C16 | C15 | C17 | 59.6° | 60.0° |
| C16 | C15 | C18 | 109.6° | 117.5° |
| C16 | C15 | H15 | 136.9° | 117.5° |
| C15 | C16 | C17 | 60.2° | 60.0° |
| C15 | C16 | H16 | 130.8° | 117.5° |
| C15 | C16 | H16A | 130.8° | 117.5° |
| C17 | C15 | C18 | 112.6° | 117.4° |
| C17 | C15 | H15 | 134.4° | 117.5° |
| C15 | C17 | C16 | 60.2° | 60.0° |
| C15 | C17 | H17 | 130.8° | 117.5° |
| C15 | C17 | H17A | 130.8° | 117.5° |
| C18 | C15 | H15 | 100.1° | 115.6° |
| C15 | C18 | H18 | 108.4° | 109.5° |
| C15 | C18 | H18A | 108.4° | 109.5° |
| C17 | C16 | H16 | 130.8° | 117.5° |
| C17 | C16 | H16A | 130.7° | 117.5° |
| C16 | C17 | H17 | 130.8° | 117.5° |
| C16 | C17 | H17A | 130.8° | 117.5° |
| H16 | C16 | H16A | 82.0° | 115.5° |
| H17 | C17 | H17A | 81.9° | 115.6° |
| H18 | C18 | H18A | 110.5° | 109.5° |
| C31 | C20 | O30 | 108.3° | 109.4° |
| C31 | C20 | C21 | 112.5° | 109.5° |
| C31 | C20 | H20 | 108.7° | 109.5° |
| C20 | C31 | C32 | 110.2° | 109.5° |
| C20 | C31 | O36 | 110.4° | 109.5° |
| C20 | C31 | H31 | 110.4° | 109.5° |
| O30 | C20 | C21 | 110.8° | 109.5° |
| O30 | C20 | H20 | 110.5° | 109.4° |
| C20 | O30 | HO30 | 109.5° | 114.0° |
| C21 | C20 | H20 | 106.1° | 109.5° |
| C20 | C21 | N29 | 107.6° | 109.5° |
| C20 | C21 | C22 | 107.8° | 109.5° |
| C20 | C21 | H21 | 111.8° | 109.4° |
| N29 | C21 | C22 | 109.6° | 109.5° |
| N29 | C21 | H21 | 110.0° | 109.5° |
| C21 | N29 | HN29 | 119.9° | 120.0° |
| C22 | C21 | H21 | 109.9° | 109.5° |
| C21 | C22 | C23 | 112.6° | 109.5° |
| C21 | C22 | H22 | 108.4° | 109.5° |
| C21 | C22 | H22A | 108.4° | 109.5° |
| C23 | C22 | H22 | 108.4° | 109.4° |
| C23 | C22 | H22A | 108.4° | 109.4° |
| C22 | C23 | C28 | 109.5° | 109.5° |
| C22 | C23 | C24 | 110.4° | 109.5° |
| C22 | C23 | H23 | 108.0° | 109.5° |
| H22 | C22 | H22A | 110.5° | 109.5° |
| C28 | C23 | C24 | 106.8° | 109.5° |
| C28 | C23 | H23 | 111.5° | 109.4° |
| C23 | C28 | C27 | 111.8° | 109.5° |
| C23 | C28 | H28 | 108.7° | 109.5° |
| C23 | C28 | H28A | 108.7° | 109.5° |
| C24 | C23 | H23 | 110.7° | 109.5° |
| C23 | C24 | C25 | 108.2° | 109.5° |
| C23 | C24 | H24 | 109.9° | 109.4° |
| C23 | C24 | H24A | 109.9° | 109.4° |
| C25 | C24 | H24 | 109.9° | 109.5° |
| C25 | C24 | H24A | 109.9° | 109.5° |
| C24 | C25 | C26 | 110.3° | 109.4° |
| C24 | C25 | H25 | 109.2° | 109.5° |
| C24 | C25 | H25A | 109.2° | 109.5° |
| H24 | C24 | H24A | 109.0° | 109.5° |
| C26 | C25 | H25 | 109.2° | 109.5° |
| C26 | C25 | H25A | 109.2° | 109.5° |
| C25 | C26 | C27 | 107.6° | 109.4° |
| C25 | C26 | H26 | 110.1° | 109.4° |
| C25 | C26 | H26A | 110.1° | 109.5° |
| H25 | C25 | H25A | 109.8° | 109.5° |
| C27 | C26 | H26 | 110.1° | 109.5° |
| C27 | C26 | H26A | 110.1° | 109.5° |
| C26 | C27 | C28 | 107.6° | 109.5° |
| C26 | C27 | H27 | 110.1° | 109.4° |
| C26 | C27 | H27A | 110.1° | 109.4° |
| H26 | C26 | H26A | 108.8° | 109.5° |
| C28 | C27 | H27 | 110.1° | 109.5° |
| C28 | C27 | H27A | 110.1° | 109.5° |
| C27 | C28 | H28 | 108.7° | 109.4° |
| C27 | C28 | H28A | 108.7° | 109.5° |
| H27 | C27 | H27A | 108.8° | 109.5° |
| H28 | C28 | H28A | 110.3° | 109.5° |
| C32 | C31 | O36 | 114.8° | 109.4° |
| C32 | C31 | H31 | 105.5° | 109.5° |
| C31 | C32 | C33 | 110.6° | 109.5° |
| C31 | C32 | H32 | 109.1° | 109.5° |
| C31 | C32 | H32A | 109.1° | 109.5° |
| O36 | C31 | H31 | 105.3° | 109.5° |
| C31 | O36 | HO36 | 109.5° | 114.0° |
| C33 | C32 | H32 | 109.1° | 109.5° |
| C33 | C32 | H32A | 109.1° | 109.4° |
| C32 | C33 | C34 | 108.6° | 109.5° |
| C32 | C33 | C35 | 112.4° | 109.5° |
| C32 | C33 | H33 | 108.1° | 109.4° |
| H32 | C32 | H32A | 109.8° | 109.4° |
| C34 | C33 | C35 | 109.8° | 109.5° |
| C34 | C33 | H33 | 110.9° | 109.5° |
| C33 | C34 | H34 | 109.5° | 109.5° |
| C33 | C34 | H34A | 109.4° | 109.4° |
| C33 | C34 | H34B | 109.5° | 109.5° |
| C35 | C33 | H33 | 107.0° | 109.5° |
| C33 | C35 | H35 | 109.5° | 109.5° |
| C33 | C35 | H35A | 109.5° | 109.5° |
| C33 | C35 | H35B | 109.5° | 109.5° |
| H34 | C34 | H34A | 109.5° | 109.5° |
| H34 | C34 | H34B | 109.4° | 109.5° |
| H34A | C34 | H34B | 109.5° | 109.5° |
| H35 | C35 | H35A | 109.5° | 109.5° |
| H35 | C35 | H35B | 109.5° | 109.5° |
| H35A | C35 | H35B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C1 | C2 | O10 | 120.3° | 120.1° |
| C14 | C1 | C2 | H1 | 116.9° | 119.9° |
| C14 | C1 | O10 | H1 | 116.9° | 120.0° |
| C14 | C1 | C2 | O11 | 56.4° | 55.0° |
| C14 | C1 | C2 | C3 | 172.5° | 175.0° |
| C14 | C1 | C2 | H2 | 66.3° | 65.0° |
| C14 | C1 | O10 | HO10 | 180.0° | 60.0° |
| C1 | C14 | C13 | C12 | 50.2° | 173.0° |
| C1 | C14 | C13 | C18 | 172.4° | 67.0° |
| C1 | C14 | C13 | H14 | 120.0° | 120.0° |
| C1 | C14 | C13 | H14A | 120.0° | 120.1° |
| C1 | C14 | C13 | H13 | 69.2° | 53.0° |
| C1 | C14 | H14 | H14A | 117.6° | 120.1° |
| C2 | C1 | O10 | H1 | 120.0° | 120.0° |
| C1 | C2 | O11 | C3 | 118.5° | 120.0° |
| C1 | C2 | O11 | H2 | 120.5° | 120.0° |
| C1 | C2 | C3 | H2 | 120.6° | 120.0° |
| C1 | C2 | C3 | C4 | 163.0° | 175.1° |
| C1 | C2 | C3 | H3 | 76.9° | 65.0° |
| C1 | C2 | C3 | H3A | 43.0° | 55.0° |
| C2 | C1 | O10 | HO10 | 56.9° | 60.0° |
| C1 | C2 | O11 | HO11 | 180.0° | 60.0° |
| C2 | C1 | C14 | C13 | 153.4° | 171.9° |
| C2 | C1 | C14 | H14 | 86.5° | 68.1° |
| C2 | C1 | C14 | H14A | 33.4° | 51.9° |
| O10 | C1 | C2 | O11 | 63.9° | 65.0° |
| O10 | C1 | C2 | C3 | 52.2° | 55.0° |
| O10 | C1 | C2 | H2 | 173.4° | 175.0° |
| O10 | C1 | C14 | C13 | 89.3° | 68.0° |
| O10 | C1 | C14 | H14 | 30.8° | 51.9° |
| O10 | C1 | C14 | H14A | 150.7° | 171.9° |
| H1 | C1 | C2 | O11 | 173.2° | 174.9° |
| H1 | C1 | C2 | C3 | 70.6° | 65.1° |
| H1 | C1 | C2 | H2 | 50.6° | 54.9° |
| H1 | C1 | O10 | HO10 | 63.1° | 180.0° |
| H1 | C1 | C14 | C13 | 33.5° | 52.0° |
| H1 | C1 | C14 | H14 | 153.5° | 171.9° |
| H1 | C1 | C14 | H14A | 86.5° | 68.0° |
| O11 | C2 | C3 | H2 | 122.6° | 120.0° |
| O11 | C2 | C3 | C4 | 80.2° | 65.0° |
| O11 | C2 | C3 | H3 | 39.8° | 55.0° |
| O11 | C2 | C3 | H3A | 159.8° | 175.0° |
| C2 | C3 | C4 | H3 | 120.0° | 120.0° |
| C2 | C3 | C4 | H3A | 120.0° | 120.0° |
| C2 | C3 | H3 | H3A | 120.0° | 120.0° |
| C2 | C3 | C4 | C9 | 76.8° | 90.3° |
| C2 | C3 | C4 | C5 | 108.3° | 90.0° |
| C3 | C2 | O11 | HO11 | 61.5° | 60.0° |
| H2 | C2 | C3 | C4 | 42.4° | 55.1° |
| H2 | C2 | C3 | H3 | 162.4° | 175.0° |
| H2 | C2 | C3 | H3A | 77.6° | 65.0° |
| H2 | C2 | O11 | HO11 | 59.5° | 180.0° |
| C4 | C3 | H3 | H3A | 120.0° | 120.0° |
| C3 | C4 | C9 | C5 | 174.9° | 179.7° |
| C3 | C4 | C5 | C6 | 177.7° | 180.0° |
| C3 | C4 | C5 | H5 | 2.2° | 0.1° |
| C3 | C4 | C9 | C8 | 177.8° | 179.8° |
| C3 | C4 | C9 | H9 | 2.2° | 0.0° |
| H3 | C3 | C4 | C9 | 163.2° | 149.7° |
| H3 | C3 | C4 | C5 | 11.7° | 30.0° |
| H3A | C3 | C4 | C9 | 43.2° | 29.7° |
| H3A | C3 | C4 | C5 | 131.7° | 150.0° |
| C9 | C4 | C5 | C6 | 2.7° | 0.3° |
| C9 | C4 | C5 | H5 | 177.2° | 179.8° |
| C4 | C9 | C8 | C7 | 2.4° | 0.5° |
| C4 | C9 | C8 | H9 | 180.0° | 179.8° |
| C4 | C9 | C8 | H8 | 177.6° | 179.7° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 2.2° | 0.0° |
| C4 | C5 | C6 | H6 | 177.8° | 180.0° |
| C5 | C4 | C9 | C8 | 2.9° | 0.5° |
| C5 | C4 | C9 | H9 | 177.2° | 179.7° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 1.6° | 0.0° |
| C5 | C6 | C7 | H7 | 178.4° | 180.0° |
| H5 | C5 | C6 | C7 | 177.8° | 180.0° |
| H5 | C5 | C6 | H6 | 2.2° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 1.7° | 0.3° |
| C6 | C7 | C8 | H8 | 178.3° | 179.9° |
| H6 | C6 | C7 | C8 | 178.4° | 180.0° |
| H6 | C6 | C7 | H7 | 1.6° | 0.1° |
| C7 | C8 | C9 | H8 | 180.0° | 179.8° |
| C7 | C8 | C9 | H9 | 177.6° | 179.7° |
| H7 | C7 | C8 | C9 | 178.3° | 179.8° |
| H7 | C7 | C8 | H8 | 1.7° | 0.0° |
| H8 | C8 | C9 | H9 | 2.4° | 0.1° |
| O19 | C12 | N29 | C13 | 177.7° | 180.0° |
| O19 | C12 | C13 | C18 | 59.7° | 115.5° |
| O19 | C12 | C13 | C14 | 65.2° | 4.5° |
| O19 | C12 | C13 | H13 | 178.5° | 124.5° |
| O19 | C12 | N29 | C21 | 6.1° | 6.2° |
| O19 | C12 | N29 | HN29 | 173.9° | 173.8° |
| N29 | C12 | C13 | C18 | 122.6° | 64.5° |
| N29 | C12 | C13 | C14 | 112.4° | 175.4° |
| N29 | C12 | C13 | H13 | 3.8° | 55.5° |
| C12 | N29 | C21 | C20 | 118.4° | 94.9° |
| C12 | N29 | C21 | HN29 | 180.0° | 180.0° |
| C12 | N29 | C21 | C22 | 124.6° | 145.1° |
| C12 | N29 | C21 | H21 | 3.6° | 25.0° |
| C12 | C13 | C18 | C14 | 124.2° | 120.0° |
| C12 | C13 | C18 | H13 | 119.6° | 120.0° |
| C12 | C13 | C14 | H13 | 119.4° | 119.9° |
| C12 | C13 | C14 | H14 | 170.2° | 67.1° |
| C12 | C13 | C14 | H14A | 69.8° | 52.9° |
| C12 | C13 | C18 | C15 | 51.5° | 67.9° |
| C12 | C13 | C18 | H18 | 171.5° | 172.0° |
| C12 | C13 | C18 | H18A | 68.5° | 52.0° |
| C13 | C12 | N29 | C21 | 176.2° | 173.7° |
| C13 | C12 | N29 | HN29 | 3.8° | 6.2° |
| C18 | C13 | C14 | H13 | 118.4° | 120.0° |
| C18 | C13 | C14 | H14 | 67.6° | 53.0° |
| C18 | C13 | C14 | H14A | 52.4° | 172.9° |
| C13 | C18 | C15 | C16 | 151.3° | 117.7° |
| C13 | C18 | C15 | C17 | 87.0° | 173.7° |
| C13 | C18 | C15 | H18 | 120.0° | 120.0° |
| C13 | C18 | C15 | H18A | 120.0° | 119.9° |
| C13 | C18 | C15 | H15 | 60.5° | 28.1° |
| C13 | C18 | H18 | H18A | 118.6° | 120.0° |
| C13 | C14 | H14 | H14A | 117.6° | 120.0° |
| C14 | C13 | C18 | C15 | 175.6° | 172.1° |
| C14 | C13 | C18 | H18 | 64.3° | 52.0° |
| C14 | C13 | C18 | H18A | 55.6° | 68.0° |
| H13 | C13 | C14 | H14 | 50.8° | 173.0° |
| H13 | C13 | C14 | H14A | 170.8° | 67.1° |
| H13 | C13 | C18 | C15 | 68.2° | 52.1° |
| H13 | C13 | C18 | H18 | 51.9° | 67.9° |
| H13 | C13 | C18 | H18A | 171.8° | 172.0° |
| C16 | C15 | C17 | C18 | 100.2° | 107.5° |
| C16 | C15 | C17 | H15 | 127.6° | 107.6° |
| C16 | C15 | C18 | H15 | 148.2° | 145.8° |
| C15 | C16 | C17 | H16 | 120.0° | 107.5° |
| C15 | C16 | C17 | H16A | 120.0° | 107.5° |
| C15 | C16 | H16 | H16A | 138.5° | 145.6° |
| C15 | C16 | C17 | H17 | 120.0° | 107.5° |
| C15 | C16 | C17 | H17A | 120.0° | 107.5° |
| C16 | C15 | C18 | H18 | 31.3° | 122.3° |
| C16 | C15 | C18 | H18A | 88.7° | 2.2° |
| C17 | C15 | C18 | H15 | 147.5° | 145.6° |
| C15 | C17 | H17 | H17A | 138.5° | 145.8° |
| C17 | C15 | C18 | H18 | 33.0° | 53.7° |
| C17 | C15 | C18 | H18A | 153.0° | 66.4° |
| C18 | C15 | C16 | H16 | 14.7° | 0.1° |
| C18 | C15 | C16 | H16A | 134.7° | 145.1° |
| C18 | C15 | C17 | H17 | 139.8° | 145.0° |
| C18 | C15 | C17 | H17A | 19.8° | 0.1° |
| C15 | C18 | H18 | H18A | 118.6° | 120.1° |
| H15 | C15 | C16 | H16 | 116.0° | 145.0° |
| H15 | C15 | C16 | H16A | 4.1° | 0.1° |
| H15 | C15 | C17 | H17 | 7.5° | 0.1° |
| H15 | C15 | C17 | H17A | 112.4° | 145.0° |
| H15 | C15 | C18 | H18 | 179.5° | 91.9° |
| H15 | C15 | C18 | H18A | 59.5° | 148.0° |
| C17 | C16 | H16 | H16A | 138.5° | 145.7° |
| C16 | C17 | H17 | H17A | 138.6° | 145.7° |
| H16 | C16 | C17 | H17 | 120.0° | 145.0° |
| H16 | C16 | C17 | H17A | 0.0° | 0.0° |
| H16A | C16 | C17 | H17 | 0.0° | 0.0° |
| H16A | C16 | C17 | H17A | 120.0° | 145.0° |
| C31 | C20 | O30 | C21 | 123.8° | 120.0° |
| C31 | C20 | O30 | H20 | 119.0° | 120.0° |
| C31 | C20 | C21 | H20 | 118.7° | 120.1° |
| C31 | C20 | C21 | N29 | 77.2° | 59.6° |
| C31 | C20 | C21 | C22 | 164.7° | 179.7° |
| C31 | C20 | C21 | H21 | 43.7° | 60.3° |
| C31 | C20 | O30 | HO30 | 180.0° | 53.4° |
| C20 | C31 | C32 | O36 | 125.5° | 120.0° |
| C20 | C31 | C32 | H31 | 119.1° | 120.1° |
| C20 | C31 | O36 | H31 | 119.1° | 120.0° |
| C20 | C31 | C32 | C33 | 176.3° | 175.0° |
| C20 | C31 | C32 | H32 | 63.7° | 64.9° |
| C20 | C31 | C32 | H32A | 56.3° | 55.0° |
| C20 | C31 | O36 | HO36 | 180.0° | 60.0° |
| O30 | C20 | C21 | H20 | 119.9° | 120.0° |
| O30 | C20 | C21 | N29 | 44.1° | 60.3° |
| O30 | C20 | C21 | C22 | 74.0° | 59.7° |
| O30 | C20 | C21 | H21 | 165.1° | 179.7° |
| O30 | C20 | C31 | C32 | 52.8° | 60.0° |
| O30 | C20 | C31 | O36 | 179.4° | 179.9° |
| O30 | C20 | C31 | H31 | 63.4° | 60.1° |
| C20 | C21 | N29 | C22 | 116.9° | 120.0° |
| C20 | C21 | N29 | H21 | 122.1° | 120.0° |
| C20 | C21 | C22 | H21 | 122.1° | 120.0° |
| C20 | C21 | C22 | C23 | 174.5° | 175.0° |
| C20 | C21 | C22 | H22 | 65.6° | 65.1° |
| C20 | C21 | C22 | H22A | 54.5° | 55.0° |
| C20 | C21 | N29 | HN29 | 61.6° | 85.1° |
| C21 | C20 | O30 | HO30 | 56.2° | 66.6° |
| C21 | C20 | C31 | C32 | 175.6° | 180.0° |
| C21 | C20 | C31 | O36 | 56.6° | 60.0° |
| C21 | C20 | C31 | H31 | 59.4° | 60.0° |
| H20 | C20 | C21 | N29 | 164.0° | 179.7° |
| H20 | C20 | C21 | C22 | 45.9° | 60.3° |
| H20 | C20 | C21 | H21 | 75.0° | 59.7° |
| H20 | C20 | O30 | HO30 | 61.0° | 173.4° |
| H20 | C20 | C31 | C32 | 67.3° | 60.0° |
| H20 | C20 | C31 | O36 | 60.6° | 60.0° |
| H20 | C20 | C31 | H31 | 176.6° | 180.0° |
| N29 | C21 | C22 | H21 | 121.1° | 120.0° |
| N29 | C21 | C22 | C23 | 68.7° | 65.0° |
| N29 | C21 | C22 | H22 | 51.3° | 54.9° |
| N29 | C21 | C22 | H22A | 171.3° | 175.0° |
| C21 | C22 | C23 | H22 | 120.0° | 120.0° |
| C21 | C22 | C23 | H22A | 120.0° | 120.1° |
| C21 | C22 | H22 | H22A | 118.7° | 120.1° |
| C21 | C22 | C23 | C28 | 67.8° | 65.0° |
| C21 | C22 | C23 | C24 | 174.8° | 175.0° |
| C21 | C22 | C23 | H23 | 53.8° | 55.0° |
| C22 | C21 | N29 | HN29 | 55.4° | 34.9° |
| H21 | C21 | C22 | C23 | 52.3° | 55.0° |
| H21 | C21 | C22 | H22 | 172.3° | 175.0° |
| H21 | C21 | C22 | H22A | 67.7° | 65.0° |
| H21 | C21 | N29 | HN29 | 176.4° | 155.0° |
| C23 | C22 | H22 | H22A | 118.7° | 119.9° |
| C22 | C23 | C28 | C24 | 119.5° | 120.0° |
| C22 | C23 | C28 | H23 | 119.4° | 120.0° |
| C22 | C23 | C24 | H23 | 119.5° | 120.1° |
| C22 | C23 | C24 | C25 | 178.0° | 180.0° |
| C22 | C23 | C24 | H24 | 62.0° | 60.0° |
| C22 | C23 | C24 | H24A | 58.0° | 60.0° |
| C22 | C23 | C28 | C27 | 178.9° | 180.0° |
| C22 | C23 | C28 | H28 | 61.1° | 60.1° |
| C22 | C23 | C28 | H28A | 58.9° | 60.0° |
| H22 | C22 | C23 | C28 | 172.2° | 175.0° |
| H22 | C22 | C23 | C24 | 54.9° | 55.0° |
| H22 | C22 | C23 | H23 | 66.2° | 65.0° |
| H22A | C22 | C23 | C28 | 52.2° | 55.1° |
| H22A | C22 | C23 | C24 | 65.2° | 64.9° |
| H22A | C22 | C23 | H23 | 173.8° | 175.0° |
| C28 | C23 | C24 | H23 | 121.5° | 119.9° |
| C28 | C23 | C24 | C25 | 59.0° | 60.0° |
| C28 | C23 | C24 | H24 | 179.0° | 180.0° |
| C28 | C23 | C24 | H24A | 61.1° | 60.0° |
| C23 | C28 | C27 | C26 | 63.1° | 60.0° |
| C23 | C28 | C27 | H28 | 120.0° | 120.0° |
| C23 | C28 | C27 | H28A | 120.0° | 120.0° |
| C23 | C28 | C27 | H27 | 56.9° | 60.0° |
| C23 | C28 | C27 | H27A | 176.9° | 180.0° |
| C23 | C28 | H28 | H28A | 119.1° | 120.0° |
| C23 | C24 | C25 | H24 | 120.0° | 120.0° |
| C23 | C24 | C25 | H24A | 120.0° | 120.0° |
| C23 | C24 | H24 | H24A | 120.5° | 119.9° |
| C23 | C24 | C25 | C26 | 62.4° | 60.0° |
| C23 | C24 | C25 | H25 | 57.6° | 60.0° |
| C23 | C24 | C25 | H25A | 177.7° | 180.0° |
| C24 | C23 | C28 | C27 | 61.6° | 60.0° |
| C24 | C23 | C28 | H28 | 58.4° | 60.0° |
| C24 | C23 | C28 | H28A | 178.5° | 180.0° |
| H23 | C23 | C24 | C25 | 62.6° | 59.9° |
| H23 | C23 | C24 | H24 | 57.4° | 60.1° |
| H23 | C23 | C24 | H24A | 177.4° | 180.0° |
| H23 | C23 | C28 | C27 | 59.4° | 60.0° |
| H23 | C23 | C28 | H28 | 179.4° | 180.0° |
| H23 | C23 | C28 | H28A | 60.5° | 60.0° |
| C25 | C24 | H24 | H24A | 120.5° | 120.1° |
| C24 | C25 | C26 | H25 | 120.0° | 120.0° |
| C24 | C25 | C26 | H25A | 120.0° | 120.0° |
| C24 | C25 | H25 | H25A | 119.7° | 120.0° |
| C24 | C25 | C26 | C27 | 63.1° | 60.0° |
| C24 | C25 | C26 | H26 | 176.8° | 180.0° |
| C24 | C25 | C26 | H26A | 56.9° | 60.0° |
| H24 | C24 | C25 | C26 | 177.6° | 180.0° |
| H24 | C24 | C25 | H25 | 62.4° | 60.0° |
| H24 | C24 | C25 | H25A | 57.6° | 60.0° |
| H24A | C24 | C25 | C26 | 57.7° | 59.9° |
| H24A | C24 | C25 | H25 | 177.6° | 179.9° |
| H24A | C24 | C25 | H25A | 62.3° | 60.0° |
| C26 | C25 | H25 | H25A | 119.7° | 120.0° |
| C25 | C26 | C27 | H26 | 120.0° | 119.9° |
| C25 | C26 | C27 | H26A | 120.0° | 120.0° |
| C25 | C26 | H26 | H26A | 120.8° | 120.0° |
| C25 | C26 | C27 | C28 | 61.6° | 60.0° |
| C25 | C26 | C27 | H27 | 58.4° | 60.0° |
| C25 | C26 | C27 | H27A | 178.4° | 180.0° |
| H25 | C25 | C26 | C27 | 56.9° | 60.0° |
| H25 | C25 | C26 | H26 | 63.2° | 60.0° |
| H25 | C25 | C26 | H26A | 176.9° | 179.9° |
| H25A | C25 | C26 | C27 | 176.9° | 180.0° |
| H25A | C25 | C26 | H26 | 56.9° | 60.0° |
| H25A | C25 | C26 | H26A | 63.1° | 60.0° |
| C27 | C26 | H26 | H26A | 120.7° | 120.0° |
| C26 | C27 | C28 | H27 | 120.0° | 120.0° |
| C26 | C27 | C28 | H27A | 120.0° | 120.0° |
| C26 | C27 | H27 | H27A | 120.8° | 119.9° |
| C26 | C27 | C28 | H28 | 56.9° | 60.0° |
| C26 | C27 | C28 | H28A | 176.9° | 180.0° |
| H26 | C26 | C27 | C28 | 178.3° | 179.9° |
| H26 | C26 | C27 | H27 | 61.6° | 60.0° |
| H26 | C26 | C27 | H27A | 58.4° | 60.0° |
| H26A | C26 | C27 | C28 | 58.4° | 60.0° |
| H26A | C26 | C27 | H27 | 178.4° | 180.0° |
| H26A | C26 | C27 | H27A | 61.6° | 60.1° |
| C28 | C27 | H27 | H27A | 120.7° | 120.1° |
| C27 | C28 | H28 | H28A | 119.0° | 120.0° |
| H27 | C27 | C28 | H28 | 176.9° | 180.0° |
| H27 | C27 | C28 | H28A | 63.1° | 60.0° |
| H27A | C27 | C28 | H28 | 63.1° | 60.0° |
| H27A | C27 | C28 | H28A | 56.9° | 60.0° |
| C32 | C31 | O36 | H31 | 115.6° | 120.0° |
| C31 | C32 | C33 | H32 | 120.0° | 120.1° |
| C31 | C32 | C33 | H32A | 120.0° | 120.0° |
| C31 | C32 | H32 | H32A | 119.5° | 120.0° |
| C31 | C32 | C33 | C34 | 164.2° | 175.0° |
| C31 | C32 | C33 | C35 | 74.2° | 65.0° |
| C31 | C32 | C33 | H33 | 43.7° | 55.0° |
| C32 | C31 | O36 | HO36 | 54.7° | 60.0° |
| O36 | C31 | C32 | C33 | 58.2° | 65.0° |
| O36 | C31 | C32 | H32 | 61.8° | 55.0° |
| O36 | C31 | C32 | H32A | 178.3° | 175.0° |
| H31 | C31 | C32 | C33 | 57.2° | 54.9° |
| H31 | C31 | C32 | H32 | 177.2° | 175.0° |
| H31 | C31 | C32 | H32A | 62.8° | 65.0° |
| H31 | C31 | O36 | HO36 | 60.9° | 180.0° |
| C33 | C32 | H32 | H32A | 119.5° | 119.9° |
| C32 | C33 | C34 | C35 | 123.3° | 120.0° |
| C32 | C33 | C34 | H33 | 118.7° | 120.0° |
| C32 | C33 | C35 | H33 | 118.6° | 120.0° |
| C32 | C33 | C34 | H34 | 180.0° | 60.0° |
| C32 | C33 | C34 | H34A | 60.0° | 180.0° |
| C32 | C33 | C34 | H34B | 60.0° | 60.0° |
| C32 | C33 | C35 | H35 | 180.0° | 180.0° |
| C32 | C33 | C35 | H35A | 60.0° | 60.0° |
| C32 | C33 | C35 | H35B | 60.0° | 60.0° |
| H32 | C32 | C33 | C34 | 44.2° | 54.9° |
| H32 | C32 | C33 | C35 | 165.9° | 174.9° |
| H32 | C32 | C33 | H33 | 76.2° | 65.1° |
| H32A | C32 | C33 | C34 | 75.8° | 65.0° |
| H32A | C32 | C33 | C35 | 45.9° | 55.0° |
| H32A | C32 | C33 | H33 | 163.8° | 175.0° |
| C34 | C33 | C35 | H33 | 120.4° | 120.0° |
| C33 | C34 | H34 | H34A | 120.0° | 120.0° |
| C33 | C34 | H34 | H34B | 120.0° | 120.0° |
| C33 | C34 | H34A | H34B | 120.0° | 120.0° |
| C34 | C33 | C35 | H35 | 59.0° | 60.0° |
| C34 | C33 | C35 | H35A | 61.0° | 60.0° |
| C34 | C33 | C35 | H35B | 179.0° | 180.0° |
| C35 | C33 | C34 | H34 | 56.7° | 60.0° |
| C35 | C33 | C34 | H34A | 176.7° | 60.0° |
| C35 | C33 | C34 | H34B | 63.3° | 180.0° |
| C33 | C35 | H35 | H35A | 120.0° | 120.1° |
| C33 | C35 | H35 | H35B | 120.0° | 120.0° |
| C33 | C35 | H35A | H35B | 120.0° | 120.0° |
| H33 | C33 | C34 | H34 | 61.3° | 180.0° |
| H33 | C33 | C34 | H34A | 58.7° | 60.0° |
| H33 | C33 | C34 | H34B | 178.7° | 60.0° |
| H33 | C33 | C35 | H35 | 61.5° | 60.0° |
| H33 | C33 | C35 | H35A | 178.6° | 180.0° |
| H33 | C33 | C35 | H35B | 58.6° | 60.0° |
| H34 | C34 | H34A | H34B | 120.0° | 120.0° |
| H35 | C35 | H35A | H35B | 120.0° | 120.0° |
