5BC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | C10 | sing | 1.48Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.40Å | 1.38Å | Aromatic |
| C7 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C37 | sing | 1.48Å | 1.53Å | |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | C37 | sing | 1.48Å | 1.54Å | |
| C14 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | O36 | sing | 1.36Å | 1.35Å | |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C39 | sing | 1.51Å | 1.55Å | |
| C17 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | O32 | sing | 1.36Å | 1.37Å | |
| C20 | C21 | sing | 1.41Å | 1.40Å | Aromatic |
| C20 | C24 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C27 | sing | 1.47Å | 1.33Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | N26 | sing | 1.38Å | 1.35Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C25 | N26 | sing | 1.37Å | 1.34Å | Aromatic |
| C25 | C27 | doub | 1.34Å | 1.33Å | Aromatic |
| N26 | C31 | sing | 1.46Å | 1.47Å | |
| C28 | O29 | sing | 1.34Å | 1.26Å | |
| C28 | O30 | doub | 1.21Å | 1.25Å | |
| C28 | C31 | sing | 1.51Å | 1.56Å | |
| O32 | C33 | sing | 1.43Å | 1.38Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| C35 | O36 | sing | 1.43Å | 1.47Å | |
| C37 | O38 | doub | 1.22Å | 1.22Å | |
| C39 | C40 | sing | 1.53Å | 1.51Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| O29 | HO29 | sing | 0.97Å | 0.95Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C41 | H41B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.2° | 119.8° |
| C2 | C1 | C10 | 119.5° | 120.1° |
| C1 | C2 | C3 | 121.3° | 119.9° |
| C1 | C2 | H2 | 119.3° | 120.0° |
| C6 | C1 | C10 | 120.3° | 120.1° |
| C1 | C6 | C5 | 118.5° | 119.8° |
| C1 | C6 | H6 | 120.8° | 120.1° |
| C1 | C10 | C9 | 119.7° | 119.9° |
| C1 | C10 | C11 | 120.4° | 120.0° |
| C2 | C3 | C4 | 118.9° | 120.1° |
| C3 | C2 | H2 | 119.3° | 120.1° |
| C2 | C3 | H3 | 120.5° | 120.0° |
| C3 | C4 | C5 | 119.9° | 120.2° |
| C4 | C3 | H3 | 120.5° | 119.9° |
| C3 | C4 | H4 | 120.1° | 119.9° |
| C4 | C5 | C6 | 121.2° | 120.2° |
| C5 | C4 | H4 | 120.1° | 119.9° |
| C4 | C5 | H5 | 119.4° | 119.9° |
| C6 | C5 | H5 | 119.4° | 119.9° |
| C5 | C6 | H6 | 120.8° | 120.1° |
| C8 | C7 | C12 | 119.9° | 120.0° |
| C8 | C7 | C37 | 119.8° | 120.0° |
| C7 | C8 | C9 | 120.7° | 119.9° |
| C7 | C8 | H8 | 119.7° | 120.1° |
| C12 | C7 | C37 | 120.2° | 120.0° |
| C7 | C12 | C11 | 119.6° | 119.9° |
| C7 | C12 | H12 | 120.2° | 120.0° |
| C7 | C37 | C13 | 121.9° | 120.0° |
| C7 | C37 | O38 | 118.9° | 120.0° |
| C8 | C9 | C10 | 120.0° | 120.0° |
| C9 | C8 | H8 | 119.7° | 120.0° |
| C8 | C9 | H9 | 120.0° | 120.0° |
| C9 | C10 | C11 | 119.9° | 120.1° |
| C10 | C9 | H9 | 120.0° | 120.0° |
| C10 | C11 | C12 | 120.0° | 120.0° |
| C10 | C11 | H11 | 120.0° | 120.0° |
| C12 | C11 | H11 | 120.0° | 120.0° |
| C11 | C12 | H12 | 120.2° | 120.0° |
| C16 | C13 | C17 | 120.9° | 119.9° |
| C16 | C13 | C37 | 116.3° | 120.1° |
| C13 | C16 | C15 | 120.0° | 119.9° |
| C13 | C16 | H16 | 120.0° | 120.1° |
| C17 | C13 | C37 | 122.8° | 120.1° |
| C13 | C17 | C18 | 119.0° | 119.9° |
| C13 | C17 | H17 | 120.5° | 120.1° |
| C13 | C37 | O38 | 119.1° | 120.0° |
| C15 | C14 | C18 | 121.8° | 120.2° |
| C15 | C14 | O36 | 114.5° | 119.9° |
| C14 | C15 | C16 | 119.1° | 120.1° |
| C14 | C15 | C39 | 119.2° | 119.9° |
| C18 | C14 | O36 | 123.7° | 119.9° |
| C14 | C18 | C17 | 119.2° | 120.1° |
| C14 | C18 | H18 | 120.4° | 119.9° |
| C14 | O36 | C35 | 121.2° | 117.0° |
| C16 | C15 | C39 | 121.7° | 119.9° |
| C15 | C16 | H16 | 120.0° | 120.0° |
| C15 | C39 | C40 | 116.2° | 109.5° |
| C15 | C39 | H39 | 107.3° | 109.5° |
| C15 | C39 | H39A | 107.3° | 109.5° |
| C18 | C17 | H17 | 120.5° | 120.0° |
| C17 | C18 | H18 | 120.4° | 120.0° |
| C23 | C19 | C24 | 119.1° | 120.3° |
| C23 | C19 | O32 | 127.1° | 119.8° |
| C19 | C23 | C22 | 121.0° | 120.6° |
| C19 | C23 | H23 | 119.5° | 119.7° |
| C24 | C19 | O32 | 113.8° | 119.9° |
| C19 | C24 | C20 | 120.4° | 119.6° |
| C19 | C24 | H24 | 119.8° | 120.1° |
| C19 | O32 | C33 | 121.0° | 117.0° |
| C21 | C20 | C24 | 121.5° | 120.0° |
| C21 | C20 | C27 | 108.8° | 106.0° |
| C20 | C21 | C22 | 118.5° | 119.5° |
| C20 | C21 | N26 | 104.7° | 107.1° |
| C24 | C20 | C27 | 129.7° | 134.0° |
| C20 | C24 | H24 | 119.8° | 120.2° |
| C20 | C27 | C25 | 108.4° | 107.1° |
| C20 | C27 | H27 | 125.8° | 126.4° |
| C22 | C21 | N26 | 136.8° | 133.3° |
| C21 | C22 | C23 | 119.5° | 120.0° |
| C21 | C22 | H22 | 120.3° | 120.0° |
| C21 | N26 | C25 | 109.7° | 109.8° |
| C21 | N26 | C31 | 130.2° | 125.1° |
| C23 | C22 | H22 | 120.3° | 120.0° |
| C22 | C23 | H23 | 119.5° | 119.7° |
| N26 | C25 | C27 | 108.4° | 110.0° |
| C25 | N26 | C31 | 120.0° | 125.1° |
| N26 | C25 | H25 | 125.8° | 125.0° |
| C27 | C25 | H25 | 125.8° | 125.0° |
| C25 | C27 | H27 | 125.8° | 126.5° |
| N26 | C31 | C28 | 116.4° | 109.4° |
| N26 | C31 | H31 | 107.2° | 109.5° |
| N26 | C31 | H31A | 107.2° | 109.5° |
| O29 | C28 | O30 | 125.6° | 120.0° |
| O29 | C28 | C31 | 119.9° | 120.0° |
| C28 | O29 | HO29 | 109.5° | 117.0° |
| O30 | C28 | C31 | 114.4° | 120.0° |
| C28 | C31 | H31 | 107.2° | 109.5° |
| C28 | C31 | H31A | 107.2° | 109.5° |
| O32 | C33 | C34 | 104.4° | 109.5° |
| O32 | C33 | H33 | 111.2° | 109.5° |
| O32 | C33 | H33A | 111.2° | 109.5° |
| C33 | C34 | C35 | 108.5° | 109.5° |
| C34 | C33 | H33 | 111.2° | 109.4° |
| C34 | C33 | H33A | 111.2° | 109.5° |
| C33 | C34 | H34 | 109.8° | 109.4° |
| C33 | C34 | H34A | 109.8° | 109.5° |
| C34 | C35 | O36 | 104.2° | 109.4° |
| C35 | C34 | H34 | 109.8° | 109.5° |
| C35 | C34 | H34A | 109.8° | 109.5° |
| C34 | C35 | H35 | 111.2° | 109.5° |
| C34 | C35 | H35A | 111.3° | 109.5° |
| O36 | C35 | H35 | 111.3° | 109.4° |
| O36 | C35 | H35A | 111.2° | 109.5° |
| C39 | C40 | C41 | 110.7° | 109.5° |
| C40 | C39 | H39 | 107.3° | 109.5° |
| C40 | C39 | H39A | 107.3° | 109.4° |
| C39 | C40 | H40 | 109.1° | 109.5° |
| C39 | C40 | H40A | 109.1° | 109.5° |
| C41 | C40 | H40 | 109.0° | 109.5° |
| C41 | C40 | H40A | 109.0° | 109.4° |
| C40 | C41 | H41 | 109.5° | 109.5° |
| C40 | C41 | H41A | 109.5° | 109.5° |
| C40 | C41 | H41B | 109.5° | 109.4° |
| H31 | C31 | H31A | 111.6° | 109.4° |
| H33 | C33 | H33A | 107.7° | 109.5° |
| H34 | C34 | H34A | 109.1° | 109.5° |
| H35 | C35 | H35A | 107.6° | 109.5° |
| H39 | C39 | H39A | 111.6° | 109.5° |
| H40 | C40 | H40A | 109.8° | 109.4° |
| H41 | C41 | H41A | 109.5° | 109.5° |
| H41 | C41 | H41B | 109.5° | 109.5° |
| H41A | C41 | H41B | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C10 | 178.7° | 179.6° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C2 | C1 | C6 | C5 | 0.9° | 0.1° |
| C2 | C1 | C10 | C9 | 43.5° | 179.9° |
| C2 | C1 | C10 | C11 | 135.8° | 0.0° |
| C1 | C2 | C3 | H3 | 179.8° | 179.9° |
| C2 | C1 | C6 | H6 | 179.1° | 180.0° |
| C6 | C1 | C2 | C3 | 0.9° | 0.1° |
| C1 | C6 | C5 | C4 | 0.2° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C6 | C1 | C10 | C9 | 137.8° | 0.3° |
| C6 | C1 | C10 | C11 | 43.0° | 179.7° |
| C6 | C1 | C2 | H2 | 179.1° | 180.0° |
| C1 | C6 | C5 | H5 | 179.8° | 180.0° |
| C10 | C1 | C2 | C3 | 179.7° | 179.7° |
| C10 | C1 | C6 | C5 | 179.6° | 179.7° |
| C1 | C10 | C9 | C8 | 179.6° | 180.0° |
| C1 | C10 | C9 | C11 | 179.2° | 180.0° |
| C1 | C10 | C11 | C12 | 179.6° | 180.0° |
| C10 | C1 | C2 | H2 | 0.3° | 0.4° |
| C10 | C1 | C6 | H6 | 0.4° | 0.3° |
| C1 | C10 | C9 | H9 | 0.4° | 0.1° |
| C1 | C10 | C11 | H11 | 0.5° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.1° |
| C2 | C3 | C4 | H4 | 179.5° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.4° | 0.1° |
| C4 | C3 | C2 | H2 | 179.7° | 180.0° |
| C3 | C4 | C5 | H5 | 179.5° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C5 | C4 | C3 | H3 | 179.5° | 179.9° |
| C4 | C5 | C6 | H6 | 179.8° | 179.9° |
| C6 | C5 | C4 | H4 | 179.5° | 180.0° |
| C8 | C7 | C12 | C37 | 178.9° | 179.7° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C8 | C7 | C12 | C11 | 0.7° | 0.1° |
| C8 | C7 | C37 | C13 | 27.3° | 146.1° |
| C8 | C7 | C37 | O38 | 148.6° | 33.9° |
| C7 | C8 | C9 | H9 | 179.9° | 179.9° |
| C8 | C7 | C12 | H12 | 179.4° | 180.0° |
| C12 | C7 | C8 | C9 | 0.6° | 0.0° |
| C7 | C12 | C11 | C10 | 0.2° | 0.1° |
| C7 | C12 | C11 | H12 | 180.0° | 179.9° |
| C12 | C7 | C37 | C13 | 153.9° | 34.2° |
| C12 | C7 | C37 | O38 | 30.3° | 145.7° |
| C12 | C7 | C8 | H8 | 179.4° | 179.9° |
| C7 | C12 | C11 | H11 | 179.8° | 180.0° |
| C37 | C7 | C8 | C9 | 179.5° | 179.7° |
| C37 | C7 | C12 | C11 | 179.6° | 179.7° |
| C7 | C37 | C13 | C16 | 141.1° | 172.4° |
| C7 | C37 | C13 | C17 | 38.8° | 7.9° |
| C7 | C37 | C13 | O38 | 175.8° | 180.0° |
| C37 | C7 | C8 | H8 | 0.5° | 0.3° |
| C37 | C7 | C12 | H12 | 0.5° | 0.4° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.4° | 0.0° |
| C9 | C10 | C11 | C12 | 0.3° | 0.1° |
| C10 | C9 | C8 | H8 | 179.9° | 179.9° |
| C9 | C10 | C11 | H11 | 179.7° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C11 | C10 | C9 | H9 | 179.7° | 179.9° |
| C10 | C11 | C12 | H12 | 179.8° | 180.0° |
| C16 | C13 | C17 | C37 | 179.9° | 179.6° |
| C13 | C16 | C15 | C14 | 0.7° | 0.0° |
| C13 | C16 | C15 | H16 | 180.0° | 179.9° |
| C13 | C16 | C15 | C39 | 178.7° | 179.9° |
| C16 | C13 | C17 | C18 | 0.6° | 0.0° |
| C16 | C13 | C37 | O38 | 34.8° | 7.5° |
| C16 | C13 | C17 | H17 | 179.4° | 179.9° |
| C13 | C17 | C18 | C14 | 1.4° | 0.0° |
| C17 | C13 | C16 | C15 | 0.4° | 0.1° |
| C13 | C17 | C18 | H17 | 180.0° | 180.0° |
| C17 | C13 | C37 | O38 | 145.3° | 172.1° |
| C17 | C13 | C16 | H16 | 179.6° | 180.0° |
| C13 | C17 | C18 | H18 | 178.6° | 179.9° |
| C37 | C13 | C16 | C15 | 179.5° | 179.7° |
| C37 | C13 | C17 | C18 | 179.5° | 179.7° |
| C37 | C13 | C16 | H16 | 0.5° | 0.4° |
| C37 | C13 | C17 | H17 | 0.5° | 0.3° |
| C15 | C14 | C18 | O36 | 179.8° | 180.0° |
| C14 | C15 | C16 | C39 | 179.4° | 180.0° |
| C15 | C14 | C18 | C17 | 1.2° | 0.1° |
| C15 | C14 | O36 | C35 | 179.5° | 180.0° |
| C14 | C15 | C39 | C40 | 175.7° | 85.0° |
| C14 | C15 | C16 | H16 | 179.3° | 180.0° |
| C15 | C14 | C18 | H18 | 178.8° | 179.9° |
| C14 | C15 | C39 | H39 | 55.7° | 155.0° |
| C14 | C15 | C39 | H39A | 64.3° | 35.0° |
| C18 | C14 | C15 | C16 | 0.1° | 0.0° |
| C18 | C14 | C15 | C39 | 179.5° | 180.0° |
| C14 | C18 | C17 | H18 | 180.0° | 179.9° |
| C18 | C14 | O36 | C35 | 0.3° | 0.0° |
| C14 | C18 | C17 | H17 | 178.6° | 180.0° |
| O36 | C14 | C15 | C16 | 179.7° | 180.0° |
| O36 | C14 | C15 | C39 | 0.3° | 0.0° |
| O36 | C14 | C18 | C17 | 178.6° | 179.9° |
| C14 | O36 | C35 | C34 | 154.5° | 180.0° |
| O36 | C14 | C18 | H18 | 1.3° | 0.1° |
| C14 | O36 | C35 | H35 | 34.5° | 60.0° |
| C14 | O36 | C35 | H35A | 85.5° | 59.9° |
| C16 | C15 | C39 | C40 | 5.0° | 95.0° |
| C16 | C15 | C39 | H39 | 125.0° | 25.0° |
| C16 | C15 | C39 | H39A | 115.0° | 145.0° |
| C15 | C39 | C40 | H39 | 120.0° | 120.0° |
| C15 | C39 | C40 | H39A | 120.0° | 120.0° |
| C15 | C39 | C40 | C41 | 155.8° | 180.0° |
| C39 | C15 | C16 | H16 | 1.3° | 0.0° |
| C15 | C39 | H39 | H39A | 117.2° | 120.0° |
| C15 | C39 | C40 | H40 | 84.2° | 60.0° |
| C15 | C39 | C40 | H40A | 35.8° | 60.0° |
| C23 | C19 | C24 | O32 | 178.5° | 179.7° |
| C23 | C19 | C24 | C20 | 0.1° | 0.0° |
| C19 | C23 | C22 | C21 | 1.1° | 0.1° |
| C19 | C23 | C22 | H23 | 180.0° | 180.0° |
| C23 | C19 | O32 | C33 | 28.1° | 0.0° |
| C19 | C23 | C22 | H22 | 178.8° | 180.0° |
| C23 | C19 | C24 | H24 | 179.9° | 180.0° |
| C19 | C24 | C20 | C21 | 0.5° | 0.0° |
| C19 | C24 | C20 | H24 | 180.0° | 180.0° |
| C19 | C24 | C20 | C27 | 179.2° | 180.0° |
| C24 | C19 | C23 | C22 | 0.9° | 0.0° |
| C24 | C19 | O32 | C33 | 153.5° | 179.7° |
| C24 | C19 | C23 | H23 | 179.1° | 179.9° |
| O32 | C19 | C24 | C20 | 178.6° | 179.7° |
| O32 | C19 | C23 | C22 | 179.2° | 179.7° |
| C19 | O32 | C33 | C34 | 149.7° | 180.0° |
| O32 | C19 | C23 | H23 | 0.8° | 0.3° |
| O32 | C19 | C24 | H24 | 1.3° | 0.3° |
| C19 | O32 | C33 | H33 | 90.3° | 60.0° |
| C19 | O32 | C33 | H33A | 29.7° | 60.0° |
| C21 | C20 | C24 | C27 | 178.7° | 180.0° |
| C20 | C21 | C22 | N26 | 179.5° | 180.0° |
| C20 | C21 | C22 | C23 | 0.5° | 0.0° |
| C20 | C21 | N26 | C25 | 1.4° | 0.0° |
| C21 | C20 | C27 | C25 | 0.4° | 0.1° |
| C20 | C21 | N26 | C31 | 178.9° | 180.0° |
| C20 | C21 | C22 | H22 | 179.4° | 180.0° |
| C21 | C20 | C24 | H24 | 179.5° | 180.0° |
| C21 | C20 | C27 | H27 | 179.6° | 179.9° |
| C24 | C20 | C21 | C22 | 0.3° | 0.0° |
| C24 | C20 | C21 | N26 | 179.9° | 180.0° |
| C24 | C20 | C27 | C25 | 179.3° | 180.0° |
| C24 | C20 | C27 | H27 | 0.7° | 0.0° |
| C27 | C20 | C21 | C22 | 179.2° | 180.0° |
| C27 | C20 | C21 | N26 | 1.1° | 0.0° |
| C20 | C27 | C25 | N26 | 0.5° | 0.1° |
| C20 | C27 | C25 | H27 | 180.0° | 180.0° |
| C27 | C20 | C24 | H24 | 0.8° | 0.0° |
| C20 | C27 | C25 | H25 | 179.5° | 180.0° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C22 | C21 | N26 | C25 | 179.0° | 179.9° |
| C22 | C21 | N26 | C31 | 1.5° | 0.0° |
| C21 | C22 | C23 | H23 | 178.9° | 179.9° |
| N26 | C21 | C22 | C23 | 179.0° | 180.0° |
| C21 | N26 | C25 | C31 | 177.8° | 179.9° |
| C21 | N26 | C25 | C27 | 1.2° | 0.1° |
| C21 | N26 | C31 | C28 | 78.9° | 85.0° |
| N26 | C21 | C22 | H22 | 1.0° | 0.1° |
| C21 | N26 | C25 | H25 | 178.8° | 180.0° |
| C21 | N26 | C31 | H31 | 161.1° | 155.0° |
| C21 | N26 | C31 | H31A | 41.1° | 35.0° |
| N26 | C25 | C27 | H25 | 180.0° | 179.9° |
| C25 | N26 | C31 | C28 | 103.8° | 95.1° |
| N26 | C25 | C27 | H27 | 179.5° | 179.9° |
| C25 | N26 | C31 | H31 | 16.2° | 24.9° |
| C25 | N26 | C31 | H31A | 136.2° | 144.9° |
| C27 | C25 | N26 | C31 | 179.0° | 180.0° |
| N26 | C31 | C28 | O29 | 29.9° | 180.0° |
| N26 | C31 | C28 | O30 | 149.9° | 0.0° |
| N26 | C31 | C28 | H31 | 120.0° | 120.0° |
| N26 | C31 | C28 | H31A | 120.0° | 120.0° |
| C31 | N26 | C25 | H25 | 1.0° | 0.1° |
| N26 | C31 | H31 | H31A | 117.1° | 120.0° |
| O29 | C28 | O30 | C31 | 179.8° | 180.0° |
| O29 | C28 | C31 | H31 | 90.1° | 60.0° |
| O29 | C28 | C31 | H31A | 149.9° | 60.0° |
| O30 | C28 | O29 | HO29 | 0.0° | 0.0° |
| O30 | C28 | C31 | H31 | 90.1° | 120.0° |
| O30 | C28 | C31 | H31A | 29.9° | 120.0° |
| C31 | C28 | O29 | HO29 | 179.8° | 180.0° |
| C28 | C31 | H31 | H31A | 117.1° | 120.0° |
| O32 | C33 | C34 | H33 | 120.0° | 120.0° |
| O32 | C33 | C34 | H33A | 120.0° | 120.0° |
| O32 | C33 | C34 | C35 | 121.6° | 180.0° |
| O32 | C33 | H33 | H33A | 122.1° | 120.0° |
| O32 | C33 | C34 | H34 | 1.6° | 60.0° |
| O32 | C33 | C34 | H34A | 118.4° | 60.0° |
| C33 | C34 | C35 | H34 | 120.0° | 119.9° |
| C33 | C34 | C35 | H34A | 120.0° | 120.0° |
| C33 | C34 | C35 | O36 | 7.9° | 180.0° |
| C34 | C33 | H33 | H33A | 122.1° | 120.0° |
| C33 | C34 | H34 | H34A | 120.4° | 120.0° |
| C33 | C34 | C35 | H35 | 127.9° | 60.1° |
| C33 | C34 | C35 | H35A | 112.1° | 60.0° |
| C34 | C35 | O36 | H35 | 120.0° | 120.0° |
| C34 | C35 | O36 | H35A | 120.0° | 120.1° |
| C35 | C34 | C33 | H33 | 118.4° | 60.0° |
| C35 | C34 | C33 | H33A | 1.6° | 59.9° |
| C35 | C34 | H34 | H34A | 120.4° | 120.1° |
| C34 | C35 | H35 | H35A | 122.1° | 120.1° |
| O36 | C35 | C34 | H34 | 112.1° | 60.1° |
| O36 | C35 | C34 | H34A | 127.9° | 60.0° |
| O36 | C35 | H35 | H35A | 122.1° | 120.0° |
| C39 | C40 | C41 | H40 | 120.0° | 120.1° |
| C39 | C40 | C41 | H40A | 120.0° | 120.0° |
| C40 | C39 | H39 | H39A | 117.2° | 120.0° |
| C39 | C40 | H40 | H40A | 119.5° | 120.0° |
| C39 | C40 | C41 | H41 | 180.0° | 180.0° |
| C39 | C40 | C41 | H41A | 60.0° | 59.9° |
| C39 | C40 | C41 | H41B | 60.0° | 60.0° |
| C41 | C40 | C39 | H39 | 35.8° | 60.0° |
| C41 | C40 | C39 | H39A | 84.2° | 60.0° |
| C41 | C40 | H40 | H40A | 119.4° | 119.9° |
| C40 | C41 | H41 | H41A | 120.0° | 120.0° |
| C40 | C41 | H41 | H41B | 120.0° | 120.0° |
| C40 | C41 | H41A | H41B | 120.0° | 119.9° |
| H2 | C2 | C3 | H3 | 0.2° | 0.0° |
| H3 | C3 | C4 | H4 | 0.5° | 0.0° |
| H4 | C4 | C5 | H5 | 0.5° | 0.0° |
| H5 | C5 | C6 | H6 | 0.2° | 0.0° |
| H8 | C8 | C9 | H9 | 0.1° | 0.0° |
| H11 | C11 | C12 | H12 | 0.2° | 0.1° |
| H17 | C17 | C18 | H18 | 1.4° | 0.1° |
| H22 | C22 | C23 | H23 | 1.1° | 0.0° |
| H25 | C25 | C27 | H27 | 0.5° | 0.0° |
| H33 | C33 | C34 | H34 | 121.6° | 180.0° |
| H33 | C33 | C34 | H34A | 1.6° | 60.0° |
| H33A | C33 | C34 | H34 | 118.4° | 60.0° |
| H33A | C33 | C34 | H34A | 121.6° | 180.0° |
| H34 | C34 | C35 | H35 | 7.9° | 180.0° |
| H34 | C34 | C35 | H35A | 127.9° | 60.0° |
| H34A | C34 | C35 | H35 | 112.1° | 60.0° |
| H34A | C34 | C35 | H35A | 7.9° | 180.0° |
| H39 | C39 | C40 | H40 | 155.8° | 180.0° |
| H39 | C39 | C40 | H40A | 84.2° | 60.0° |
| H39A | C39 | C40 | H40 | 35.8° | 60.1° |
| H39A | C39 | C40 | H40A | 155.8° | 180.0° |
| H40 | C40 | C41 | H41 | 60.0° | 59.9° |
| H40 | C40 | C41 | H41A | 180.0° | 180.0° |
| H40 | C40 | C41 | H41B | 60.0° | 60.0° |
| H40A | C40 | C41 | H41 | 59.9° | 60.0° |
| H40A | C40 | C41 | H41A | 60.1° | 60.1° |
| H40A | C40 | C41 | H41B | 180.0° | 180.0° |
| H41 | C41 | H41A | H41B | 120.0° | 120.0° |
