C6F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C23 | N24 | sing | 1.47Å | 1.48Å | |
| O7 | C6 | doub | 1.22Å | 1.22Å | |
| C25 | N24 | sing | 1.47Å | 1.48Å | |
| C22 | N21 | sing | 1.47Å | 1.49Å | |
| N8 | C6 | sing | 1.35Å | 1.35Å | |
| N24 | C26 | sing | 1.47Å | 1.48Å | |
| C6 | C5 | sing | 1.47Å | 1.49Å | |
| C17 | C16 | sing | 1.53Å | 1.55Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.42Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| N21 | C18 | sing | 1.47Å | 1.49Å | |
| N21 | C27 | sing | 1.47Å | 1.49Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C16 | N15 | sing | 1.47Å | 1.48Å | |
| N10 | C11 | sing | 1.40Å | 1.43Å | |
| N10 | C9 | sing | 1.38Å | 1.42Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C11 | C31 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C9 | doub | 1.40Å | 1.44Å | Aromatic |
| C5 | N4 | sing | 1.33Å | 1.35Å | Aromatic |
| C14 | N15 | sing | 1.40Å | 1.41Å | |
| C14 | C28 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| N15 | C20 | sing | 1.47Å | 1.48Å | |
| C9 | N32 | sing | 1.33Å | 1.35Å | Aromatic |
| N4 | C3 | doub | 1.31Å | 1.33Å | Aromatic |
| C31 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | O29 | sing | 1.36Å | 1.37Å | |
| N32 | C33 | doub | 1.33Å | 1.36Å | Aromatic |
| C3 | C33 | sing | 1.40Å | 1.42Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| O29 | C30 | sing | 1.43Å | 1.43Å | |
| C33 | N34 | sing | 1.38Å | 1.40Å | |
| N34 | C35 | sing | 1.46Å | 1.47Å | |
| C35 | C40 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C40 | C39 | sing | 1.53Å | 1.54Å | |
| C39 | O38 | sing | 1.43Å | 1.44Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C37 | O38 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| N10 | H6 | sing | 0.97Å | 1.00Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H22 | sing | 1.08Å | 1.08Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| C36 | H24 | sing | 1.09Å | 1.10Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C37 | H26 | sing | 1.09Å | 1.10Å | |
| C37 | H27 | sing | 1.09Å | 1.10Å | |
| C39 | H28 | sing | 1.09Å | 1.10Å | |
| C39 | H29 | sing | 1.09Å | 1.10Å | |
| C40 | H30 | sing | 1.09Å | 1.10Å | |
| C40 | H31 | sing | 1.09Å | 1.10Å | |
| N8 | H32 | sing | 0.97Å | 1.00Å | |
| N8 | H33 | sing | 0.97Å | 1.00Å | |
| C13 | H34 | sing | 1.08Å | 1.08Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| C20 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | H38 | sing | 1.09Å | 1.10Å | |
| C22 | H39 | sing | 1.09Å | 1.10Å | |
| C25 | H41 | sing | 1.09Å | 1.10Å | |
| C25 | H42 | sing | 1.09Å | 1.10Å | |
| C25 | H43 | sing | 1.09Å | 1.10Å | |
| C26 | H44 | sing | 1.09Å | 1.10Å | |
| C26 | H45 | sing | 1.09Å | 1.10Å | |
| N34 | H46 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C23 | N24 | 109.9° | 109.4° |
| C23 | C22 | N21 | 110.5° | 109.4° |
| C22 | C23 | H15 | 109.4° | 109.4° |
| C22 | C23 | H16 | 109.4° | 109.5° |
| C23 | C22 | H38 | 109.2° | 109.4° |
| C23 | C22 | H39 | 109.2° | 109.5° |
| C23 | N24 | C25 | 113.8° | 111.0° |
| C23 | N24 | C26 | 112.0° | 110.9° |
| N24 | C23 | H15 | 109.4° | 109.5° |
| N24 | C23 | H16 | 109.3° | 109.5° |
| O7 | C6 | N8 | 118.2° | 120.0° |
| O7 | C6 | C5 | 120.5° | 120.0° |
| C25 | N24 | C26 | 114.3° | 111.0° |
| N24 | C25 | H41 | 109.5° | 109.5° |
| N24 | C25 | H42 | 109.4° | 109.5° |
| N24 | C25 | H43 | 109.5° | 109.5° |
| C22 | N21 | C18 | 117.3° | 111.0° |
| C22 | N21 | C27 | 112.7° | 110.9° |
| N21 | C22 | H38 | 109.2° | 109.5° |
| N21 | C22 | H39 | 109.2° | 109.5° |
| N8 | C6 | C5 | 121.2° | 120.0° |
| C6 | N8 | H32 | 120.0° | 120.0° |
| C6 | N8 | H33 | 120.0° | 120.0° |
| N24 | C26 | C27 | 110.6° | 109.4° |
| N24 | C26 | H44 | 109.2° | 109.5° |
| N24 | C26 | H45 | 109.2° | 109.5° |
| C6 | C5 | C9 | 125.8° | 120.0° |
| C6 | C5 | N4 | 115.0° | 120.1° |
| C16 | C17 | C18 | 109.4° | 109.3° |
| C17 | C16 | N15 | 110.1° | 109.5° |
| C17 | C16 | H8 | 109.3° | 109.5° |
| C17 | C16 | H9 | 109.3° | 109.5° |
| C16 | C17 | H10 | 109.5° | 109.5° |
| C16 | C17 | H11 | 109.5° | 109.5° |
| C17 | C18 | N21 | 112.7° | 109.5° |
| C17 | C18 | C19 | 107.5° | 109.2° |
| C18 | C17 | H10 | 109.5° | 109.5° |
| C18 | C17 | H11 | 109.5° | 109.5° |
| C17 | C18 | H12 | 107.4° | 109.5° |
| C13 | C12 | C11 | 122.2° | 120.1° |
| C12 | C13 | C14 | 120.6° | 120.1° |
| C13 | C12 | H7 | 118.9° | 119.9° |
| C12 | C13 | H34 | 119.7° | 120.0° |
| C12 | C11 | N10 | 116.9° | 120.0° |
| C12 | C11 | C31 | 116.4° | 120.1° |
| C11 | C12 | H7 | 118.9° | 120.0° |
| C13 | C14 | N15 | 119.8° | 120.1° |
| C13 | C14 | C28 | 118.7° | 120.0° |
| C14 | C13 | H34 | 119.7° | 120.0° |
| C18 | N21 | C27 | 113.3° | 111.0° |
| N21 | C18 | C19 | 113.6° | 109.6° |
| N21 | C18 | H12 | 108.0° | 109.6° |
| N21 | C27 | C26 | 111.7° | 109.4° |
| N21 | C27 | H17 | 108.9° | 109.5° |
| N21 | C27 | H18 | 108.9° | 109.5° |
| C26 | C27 | H17 | 108.9° | 109.5° |
| C26 | C27 | H18 | 108.9° | 109.6° |
| C27 | C26 | H44 | 109.2° | 109.5° |
| C27 | C26 | H45 | 109.2° | 109.5° |
| C16 | N15 | C14 | 121.7° | 111.0° |
| C16 | N15 | C20 | 118.8° | 111.2° |
| N15 | C16 | H8 | 109.3° | 109.4° |
| N15 | C16 | H9 | 109.3° | 109.5° |
| C11 | N10 | C9 | 131.5° | 120.0° |
| N10 | C11 | C31 | 126.7° | 120.0° |
| C11 | N10 | H6 | 114.2° | 120.0° |
| N10 | C9 | C5 | 121.4° | 120.2° |
| N10 | C9 | N32 | 123.5° | 120.1° |
| C9 | N10 | H6 | 114.2° | 120.0° |
| C18 | C19 | C20 | 108.9° | 109.3° |
| C19 | C18 | H12 | 107.4° | 109.5° |
| C18 | C19 | H13 | 109.6° | 109.5° |
| C18 | C19 | H14 | 109.6° | 109.5° |
| C11 | C31 | C28 | 121.8° | 119.9° |
| C11 | C31 | H22 | 119.1° | 120.1° |
| C9 | C5 | N4 | 119.2° | 119.9° |
| C5 | C9 | N32 | 115.1° | 119.7° |
| C5 | N4 | C3 | 124.9° | 120.1° |
| N15 | C14 | C28 | 121.5° | 120.0° |
| C14 | N15 | C20 | 119.5° | 111.0° |
| C14 | C28 | C31 | 120.3° | 119.9° |
| C14 | C28 | O29 | 121.3° | 120.1° |
| C19 | C20 | N15 | 110.3° | 109.5° |
| C20 | C19 | H13 | 109.6° | 109.6° |
| C20 | C19 | H14 | 109.6° | 109.5° |
| C19 | C20 | H35 | 109.3° | 109.4° |
| C19 | C20 | H36 | 109.2° | 109.5° |
| N15 | C20 | H35 | 109.3° | 109.5° |
| N15 | C20 | H36 | 109.3° | 109.5° |
| C9 | N32 | C33 | 125.5° | 119.9° |
| N4 | C3 | C33 | 117.5° | 120.2° |
| N4 | C3 | C2 | 118.4° | 119.9° |
| C31 | C28 | O29 | 118.4° | 120.0° |
| C28 | C31 | H22 | 119.1° | 120.0° |
| C28 | O29 | C30 | 117.4° | 117.0° |
| N32 | C33 | C3 | 117.7° | 120.2° |
| N32 | C33 | N34 | 120.2° | 119.9° |
| C33 | C3 | C2 | 124.1° | 119.9° |
| C3 | C33 | N34 | 122.1° | 119.9° |
| C3 | C2 | C1 | 114.0° | 109.5° |
| C3 | C2 | H4 | 108.3° | 109.5° |
| C3 | C2 | H5 | 108.3° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 108.3° | 109.4° |
| C1 | C2 | H5 | 108.3° | 109.5° |
| O29 | C30 | H19 | 109.5° | 109.5° |
| O29 | C30 | H20 | 109.4° | 109.4° |
| O29 | C30 | H21 | 109.5° | 109.5° |
| C33 | N34 | C35 | 122.9° | 120.0° |
| C33 | N34 | H46 | 106.0° | 120.0° |
| N34 | C35 | C40 | 110.3° | 109.5° |
| N34 | C35 | C36 | 110.2° | 109.5° |
| N34 | C35 | H23 | 110.1° | 109.6° |
| C35 | N34 | H46 | 106.0° | 120.0° |
| C40 | C35 | C36 | 107.6° | 109.0° |
| C35 | C40 | C39 | 111.2° | 109.2° |
| C40 | C35 | H23 | 109.3° | 109.6° |
| C35 | C40 | H30 | 109.0° | 109.5° |
| C35 | C40 | H31 | 109.1° | 109.5° |
| C35 | C36 | C37 | 107.7° | 109.1° |
| C36 | C35 | H23 | 109.3° | 109.5° |
| C35 | C36 | H24 | 109.9° | 109.5° |
| C35 | C36 | H25 | 109.9° | 109.5° |
| C40 | C39 | O38 | 114.9° | 109.4° |
| C40 | C39 | H28 | 108.1° | 109.5° |
| C40 | C39 | H29 | 108.1° | 109.5° |
| C39 | C40 | H30 | 109.0° | 109.6° |
| C39 | C40 | H31 | 109.0° | 109.5° |
| C39 | O38 | C37 | 119.2° | 114.2° |
| O38 | C39 | H28 | 108.1° | 109.5° |
| O38 | C39 | H29 | 108.1° | 109.5° |
| C36 | C37 | O38 | 109.7° | 109.4° |
| C37 | C36 | H24 | 109.9° | 109.5° |
| C37 | C36 | H25 | 109.9° | 109.6° |
| C36 | C37 | H26 | 109.4° | 109.4° |
| C36 | C37 | H27 | 109.4° | 109.4° |
| O38 | C37 | H26 | 109.4° | 109.6° |
| O38 | C37 | H27 | 109.4° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H8 | C16 | H9 | 109.5° | 109.4° |
| H10 | C17 | H11 | 109.4° | 109.6° |
| H13 | C19 | H14 | 109.4° | 109.5° |
| H15 | C23 | H16 | 109.5° | 109.5° |
| H17 | C27 | H18 | 109.4° | 109.5° |
| H19 | C30 | H20 | 109.5° | 109.5° |
| H19 | C30 | H21 | 109.4° | 109.4° |
| H20 | C30 | H21 | 109.5° | 109.5° |
| H24 | C36 | H25 | 109.4° | 109.6° |
| H26 | C37 | H27 | 109.5° | 109.5° |
| H28 | C39 | H29 | 109.5° | 109.5° |
| H30 | C40 | H31 | 109.5° | 109.5° |
| H32 | N8 | H33 | 120.0° | 120.0° |
| H35 | C20 | H36 | 109.5° | 109.4° |
| H38 | C22 | H39 | 109.5° | 109.5° |
| H41 | C25 | H42 | 109.4° | 109.4° |
| H41 | C25 | H43 | 109.5° | 109.5° |
| H42 | C25 | H43 | 109.5° | 109.5° |
| H44 | C26 | H45 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C23 | N24 | H15 | 120.0° | 119.9° |
| C22 | C23 | N24 | H16 | 120.1° | 120.0° |
| C22 | C23 | N24 | C25 | 169.4° | 176.8° |
| C23 | C22 | N21 | H38 | 120.2° | 119.9° |
| C23 | C22 | N21 | H39 | 120.1° | 120.0° |
| C22 | C23 | N24 | C26 | 59.0° | 59.3° |
| C23 | C22 | N21 | C18 | 171.2° | 176.8° |
| C23 | C22 | N21 | C27 | 54.5° | 59.3° |
| C22 | C23 | H15 | H16 | 119.8° | 120.0° |
| C23 | C22 | H38 | H39 | 119.5° | 120.1° |
| C23 | N24 | C25 | C26 | 130.3° | 123.8° |
| N24 | C23 | C22 | N21 | 56.9° | 58.4° |
| C23 | N24 | C26 | C27 | 56.7° | 59.3° |
| N24 | C23 | H15 | H16 | 119.8° | 120.1° |
| N24 | C23 | C22 | H38 | 63.3° | 61.6° |
| N24 | C23 | C22 | H39 | 177.0° | 178.4° |
| C23 | N24 | C25 | H41 | 180.0° | 60.0° |
| C23 | N24 | C25 | H42 | 60.0° | 180.0° |
| C23 | N24 | C25 | H43 | 60.0° | 60.0° |
| C23 | N24 | C26 | H44 | 63.4° | 179.3° |
| C23 | N24 | C26 | H45 | 176.9° | 60.7° |
| O7 | C6 | N8 | C5 | 177.6° | 180.0° |
| O7 | C6 | C5 | C9 | 0.7° | 5.6° |
| O7 | C6 | C5 | N4 | 176.6° | 173.7° |
| O7 | C6 | N8 | H32 | 0.0° | 180.0° |
| O7 | C6 | N8 | H33 | 180.0° | 0.0° |
| C25 | N24 | C26 | C27 | 172.0° | 176.8° |
| C25 | N24 | C23 | H15 | 70.5° | 63.2° |
| C25 | N24 | C23 | H16 | 49.4° | 56.8° |
| N24 | C25 | H41 | H42 | 120.0° | 120.0° |
| N24 | C25 | H41 | H43 | 120.0° | 120.0° |
| N24 | C25 | H42 | H43 | 120.0° | 120.0° |
| C25 | N24 | C26 | H44 | 67.8° | 56.8° |
| C25 | N24 | C26 | H45 | 51.9° | 63.2° |
| C22 | N21 | C18 | C17 | 71.7° | 66.2° |
| C22 | N21 | C18 | C27 | 134.0° | 123.8° |
| C22 | N21 | C27 | C26 | 52.5° | 59.3° |
| C22 | N21 | C18 | C19 | 50.8° | 53.5° |
| C22 | N21 | C18 | H12 | 169.8° | 173.7° |
| N21 | C22 | C23 | H15 | 63.2° | 61.6° |
| N21 | C22 | C23 | H16 | 176.9° | 178.4° |
| C22 | N21 | C27 | H17 | 67.9° | 60.7° |
| C22 | N21 | C27 | H18 | 172.8° | 179.3° |
| N21 | C22 | H38 | H39 | 119.5° | 120.1° |
| N8 | C6 | C5 | C9 | 178.2° | 174.4° |
| N8 | C6 | C5 | N4 | 0.9° | 6.2° |
| C6 | N8 | H32 | H33 | 180.0° | 180.0° |
| N24 | C26 | C27 | N21 | 52.5° | 58.4° |
| N24 | C26 | C27 | H44 | 120.2° | 120.1° |
| N24 | C26 | C27 | H45 | 120.2° | 120.0° |
| C26 | N24 | C23 | H15 | 61.0° | 60.7° |
| C26 | N24 | C23 | H16 | 179.1° | 179.2° |
| N24 | C26 | C27 | H17 | 67.8° | 61.6° |
| N24 | C26 | C27 | H18 | 172.9° | 178.3° |
| C26 | N24 | C25 | H41 | 49.6° | 176.2° |
| C26 | N24 | C25 | H42 | 70.3° | 56.2° |
| C26 | N24 | C25 | H43 | 169.6° | 63.8° |
| N24 | C26 | H44 | H45 | 119.5° | 120.0° |
| C6 | C5 | C9 | N10 | 3.3° | 0.6° |
| C6 | C5 | C9 | N4 | 177.2° | 179.4° |
| C6 | C5 | C9 | N32 | 179.0° | 180.0° |
| C6 | C5 | N4 | C3 | 178.9° | 179.7° |
| C5 | C6 | N8 | H32 | 177.6° | 0.0° |
| C5 | C6 | N8 | H33 | 2.4° | 180.0° |
| C16 | C17 | C18 | H10 | 120.0° | 119.9° |
| C16 | C17 | C18 | H11 | 120.0° | 119.9° |
| C16 | C17 | C18 | N21 | 170.3° | 177.6° |
| C17 | C16 | N15 | H8 | 120.1° | 120.1° |
| C17 | C16 | N15 | H9 | 120.1° | 120.0° |
| C16 | C17 | C18 | C19 | 63.9° | 57.6° |
| C17 | C16 | N15 | C14 | 132.1° | 174.2° |
| C17 | C16 | N15 | C20 | 47.8° | 61.7° |
| C17 | C16 | H8 | H9 | 119.7° | 120.0° |
| C16 | C17 | H10 | H11 | 120.0° | 120.1° |
| C16 | C17 | C18 | H12 | 51.4° | 62.2° |
| C17 | C18 | N21 | C19 | 122.5° | 119.7° |
| C17 | C18 | N21 | H12 | 118.5° | 120.1° |
| C17 | C18 | N21 | C27 | 154.2° | 170.0° |
| C18 | C17 | C16 | N15 | 53.8° | 59.2° |
| C17 | C18 | C19 | H12 | 115.3° | 119.8° |
| C17 | C18 | C19 | C20 | 64.4° | 57.6° |
| C18 | C17 | C16 | H8 | 173.9° | 179.2° |
| C18 | C17 | C16 | H9 | 66.3° | 60.9° |
| C18 | C17 | H10 | H11 | 120.0° | 120.1° |
| C17 | C18 | C19 | H13 | 175.6° | 177.7° |
| C17 | C18 | C19 | H14 | 55.5° | 62.3° |
| C13 | C12 | C11 | H7 | 180.0° | 180.0° |
| C12 | C13 | C14 | H34 | 180.0° | 179.9° |
| C13 | C12 | C11 | N10 | 179.1° | 180.0° |
| C13 | C12 | C11 | C31 | 0.6° | 0.2° |
| C12 | C13 | C14 | N15 | 178.9° | 180.0° |
| C12 | C13 | C14 | C28 | 0.2° | 0.2° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C12 | C11 | N10 | C31 | 178.3° | 179.8° |
| C12 | C11 | N10 | C9 | 169.8° | 34.0° |
| C12 | C11 | C31 | C28 | 1.0° | 0.2° |
| C12 | C11 | N10 | H6 | 10.2° | 145.9° |
| C12 | C11 | C31 | H22 | 179.0° | 179.8° |
| C11 | C12 | C13 | H34 | 180.0° | 180.0° |
| C13 | C14 | N15 | C16 | 65.7° | 60.1° |
| C13 | C14 | N15 | C28 | 179.1° | 179.8° |
| C13 | C14 | N15 | C20 | 114.3° | 64.2° |
| C13 | C14 | C28 | C31 | 0.2° | 0.2° |
| C13 | C14 | C28 | O29 | 179.8° | 179.7° |
| C14 | C13 | C12 | H7 | 180.0° | 180.0° |
| C18 | N21 | C27 | C26 | 171.4° | 176.8° |
| N21 | C18 | C19 | H12 | 119.4° | 120.2° |
| N21 | C18 | C19 | C20 | 170.2° | 177.6° |
| N21 | C18 | C17 | H10 | 50.3° | 62.5° |
| N21 | C18 | C17 | H11 | 69.7° | 57.6° |
| N21 | C18 | C19 | H13 | 50.3° | 62.4° |
| N21 | C18 | C19 | H14 | 69.8° | 57.6° |
| C18 | N21 | C27 | H17 | 68.3° | 63.2° |
| C18 | N21 | C27 | H18 | 51.0° | 56.8° |
| C18 | N21 | C22 | H38 | 68.6° | 63.3° |
| C18 | N21 | C22 | H39 | 51.1° | 56.8° |
| N21 | C27 | C26 | H17 | 120.4° | 119.9° |
| N21 | C27 | C26 | H18 | 120.3° | 120.0° |
| C27 | N21 | C18 | C19 | 83.3° | 70.3° |
| C27 | N21 | C18 | H12 | 35.7° | 49.8° |
| N21 | C27 | H17 | H18 | 119.0° | 120.0° |
| C27 | N21 | C22 | H38 | 65.7° | 60.6° |
| C27 | N21 | C22 | H39 | 174.6° | 179.3° |
| N21 | C27 | C26 | H44 | 67.6° | 178.4° |
| N21 | C27 | C26 | H45 | 172.7° | 61.6° |
| C26 | C27 | H17 | H18 | 119.0° | 120.1° |
| C27 | C26 | H44 | H45 | 119.5° | 120.0° |
| C16 | N15 | C14 | C20 | 179.9° | 124.2° |
| C16 | N15 | C14 | C28 | 115.2° | 119.8° |
| C16 | N15 | C20 | C19 | 48.7° | 61.7° |
| N15 | C16 | H8 | H9 | 119.7° | 119.9° |
| N15 | C16 | C17 | H10 | 173.8° | 179.1° |
| N15 | C16 | C17 | H11 | 66.2° | 60.8° |
| C16 | N15 | C20 | H35 | 71.4° | 58.3° |
| C16 | N15 | C20 | H36 | 168.8° | 178.2° |
| C11 | N10 | C9 | H6 | 180.0° | 179.9° |
| C11 | N10 | C9 | C5 | 172.2° | 174.3° |
| C11 | N10 | C9 | N32 | 10.4° | 5.1° |
| N10 | C11 | C31 | C28 | 179.3° | 180.0° |
| N10 | C11 | C12 | H7 | 0.9° | 0.0° |
| N10 | C11 | C31 | H22 | 0.7° | 0.0° |
| C9 | N10 | C11 | C31 | 11.9° | 146.2° |
| N10 | C9 | C5 | N32 | 177.6° | 179.4° |
| N10 | C9 | C5 | N4 | 179.5° | 180.0° |
| N10 | C9 | N32 | C33 | 179.5° | 179.8° |
| C18 | C19 | C20 | H13 | 119.9° | 120.0° |
| C18 | C19 | C20 | H14 | 119.9° | 119.9° |
| C18 | C19 | C20 | N15 | 55.2° | 59.1° |
| C19 | C18 | C17 | H10 | 176.1° | 177.5° |
| C19 | C18 | C17 | H11 | 56.1° | 62.3° |
| C18 | C19 | H13 | H14 | 120.2° | 120.0° |
| C18 | C19 | C20 | H35 | 65.0° | 60.9° |
| C18 | C19 | C20 | H36 | 175.3° | 179.2° |
| C11 | C31 | C28 | C14 | 0.8° | 0.0° |
| C11 | C31 | C28 | H22 | 180.0° | 180.0° |
| C11 | C31 | C28 | O29 | 179.1° | 180.0° |
| C31 | C11 | N10 | H6 | 168.1° | 33.9° |
| C31 | C11 | C12 | H7 | 179.4° | 179.8° |
| C9 | C5 | N4 | C3 | 1.4° | 0.4° |
| C5 | C9 | N32 | C33 | 1.9° | 0.4° |
| C5 | C9 | N10 | H6 | 7.8° | 5.6° |
| N4 | C5 | C9 | N32 | 1.9° | 0.6° |
| C5 | N4 | C3 | C33 | 0.8° | 0.1° |
| C5 | N4 | C3 | C2 | 179.9° | 179.8° |
| C14 | N15 | C20 | C19 | 131.3° | 174.2° |
| N15 | C14 | C28 | C31 | 179.3° | 180.0° |
| N15 | C14 | C28 | O29 | 0.7° | 0.1° |
| C14 | N15 | C16 | H8 | 12.1° | 54.1° |
| C14 | N15 | C16 | H9 | 107.8° | 65.8° |
| N15 | C14 | C13 | H34 | 1.1° | 0.1° |
| C14 | N15 | C20 | H35 | 108.6° | 65.8° |
| C14 | N15 | C20 | H36 | 11.2° | 54.2° |
| C28 | C14 | N15 | C20 | 64.8° | 116.0° |
| C14 | C28 | C31 | O29 | 180.0° | 179.9° |
| C14 | C28 | O29 | C30 | 80.3° | 180.0° |
| C14 | C28 | C31 | H22 | 179.2° | 180.0° |
| C28 | C14 | C13 | H34 | 179.8° | 179.7° |
| C19 | C20 | N15 | H35 | 120.1° | 120.0° |
| C19 | C20 | N15 | H36 | 120.1° | 120.1° |
| C20 | C19 | C18 | H12 | 50.9° | 62.2° |
| C20 | C19 | H13 | H14 | 120.3° | 120.1° |
| C19 | C20 | H35 | H36 | 119.6° | 120.0° |
| C20 | N15 | C16 | H8 | 167.9° | 178.2° |
| C20 | N15 | C16 | H9 | 72.3° | 58.3° |
| N15 | C20 | C19 | H13 | 175.1° | 179.2° |
| N15 | C20 | C19 | H14 | 64.8° | 60.8° |
| N15 | C20 | H35 | H36 | 119.7° | 120.0° |
| C9 | N32 | C33 | C3 | 1.4° | 0.0° |
| C9 | N32 | C33 | N34 | 179.5° | 180.0° |
| N32 | C9 | N10 | H6 | 169.6° | 175.0° |
| N4 | C3 | C33 | N32 | 0.7° | 0.3° |
| N4 | C3 | C33 | C2 | 179.2° | 179.7° |
| N4 | C3 | C2 | C1 | 17.7° | 90.3° |
| N4 | C3 | C33 | N34 | 179.8° | 179.7° |
| N4 | C3 | C2 | H4 | 138.4° | 149.7° |
| N4 | C3 | C2 | H5 | 102.9° | 29.7° |
| C31 | C28 | O29 | C30 | 99.7° | 0.1° |
| C28 | O29 | C30 | H19 | 180.0° | 179.9° |
| C28 | O29 | C30 | H20 | 60.0° | 60.0° |
| C28 | O29 | C30 | H21 | 60.0° | 60.0° |
| O29 | C28 | C31 | H22 | 0.9° | 0.1° |
| N32 | C33 | C3 | N34 | 179.1° | 180.0° |
| N32 | C33 | C3 | C2 | 179.9° | 179.9° |
| N32 | C33 | N34 | C35 | 12.5° | 0.0° |
| N32 | C33 | N34 | H46 | 134.3° | 180.0° |
| C33 | C3 | C2 | C1 | 163.1° | 90.0° |
| C3 | C33 | N34 | C35 | 168.5° | 180.0° |
| C33 | C3 | C2 | H4 | 42.4° | 30.0° |
| C33 | C3 | C2 | H5 | 76.3° | 150.0° |
| C3 | C33 | N34 | H46 | 46.6° | 0.0° |
| C3 | C2 | C1 | H4 | 120.7° | 120.0° |
| C3 | C2 | C1 | H5 | 120.7° | 120.1° |
| C2 | C3 | C33 | N34 | 1.0° | 0.0° |
| C3 | C2 | C1 | H1 | 180.0° | 59.9° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C3 | C2 | C1 | H3 | 60.0° | 180.0° |
| C3 | C2 | H4 | H5 | 117.9° | 120.1° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 117.9° | 119.9° |
| O29 | C30 | H19 | H20 | 120.0° | 120.0° |
| O29 | C30 | H19 | H21 | 120.0° | 120.0° |
| O29 | C30 | H20 | H21 | 120.0° | 120.0° |
| C33 | N34 | C35 | H46 | 121.8° | 180.0° |
| C33 | N34 | C35 | C40 | 72.5° | 155.0° |
| C33 | N34 | C35 | C36 | 168.9° | 85.5° |
| C33 | N34 | C35 | H23 | 48.2° | 34.7° |
| N34 | C35 | C40 | C36 | 120.2° | 119.8° |
| N34 | C35 | C40 | H23 | 121.2° | 120.3° |
| N34 | C35 | C36 | H23 | 121.1° | 120.3° |
| N34 | C35 | C40 | C39 | 175.5° | 176.8° |
| N34 | C35 | C36 | C37 | 174.0° | 176.8° |
| N34 | C35 | C36 | H24 | 66.3° | 56.9° |
| N34 | C35 | C36 | H25 | 54.2° | 63.3° |
| N34 | C35 | C40 | H30 | 64.3° | 63.2° |
| N34 | C35 | C40 | H31 | 55.2° | 56.9° |
| C40 | C35 | C36 | H23 | 118.6° | 119.9° |
| C35 | C40 | C39 | H30 | 120.3° | 120.0° |
| C35 | C40 | C39 | H31 | 120.3° | 119.9° |
| C35 | C40 | C39 | O38 | 41.3° | 57.6° |
| C40 | C35 | C36 | C37 | 65.8° | 57.0° |
| C40 | C35 | C36 | H24 | 54.0° | 62.9° |
| C40 | C35 | C36 | H25 | 174.5° | 176.9° |
| C35 | C40 | C39 | H28 | 79.5° | 62.4° |
| C35 | C40 | C39 | H29 | 162.1° | 177.6° |
| C35 | C40 | H30 | H31 | 119.2° | 120.2° |
| C40 | C35 | N34 | H46 | 49.4° | 25.0° |
| C36 | C35 | C40 | C39 | 55.2° | 57.0° |
| C35 | C36 | C37 | H24 | 119.7° | 119.9° |
| C35 | C36 | C37 | H25 | 119.8° | 119.9° |
| C35 | C36 | C37 | O38 | 61.6° | 57.6° |
| C35 | C36 | H24 | H25 | 120.8° | 120.1° |
| C35 | C36 | C37 | H26 | 178.4° | 177.6° |
| C35 | C36 | C37 | H27 | 58.5° | 62.4° |
| C36 | C35 | C40 | H30 | 175.5° | 176.9° |
| C36 | C35 | C40 | H31 | 65.0° | 62.9° |
| C36 | C35 | N34 | H46 | 69.3° | 94.6° |
| C40 | C39 | O38 | H28 | 120.8° | 119.9° |
| C40 | C39 | O38 | H29 | 120.8° | 120.0° |
| C40 | C39 | O38 | C37 | 39.3° | 61.1° |
| C39 | C40 | C35 | H23 | 63.3° | 62.9° |
| C40 | C39 | H28 | H29 | 117.5° | 120.0° |
| C39 | C40 | H30 | H31 | 119.2° | 120.1° |
| C39 | O38 | C37 | C36 | 49.1° | 61.1° |
| C39 | O38 | C37 | H26 | 169.2° | 178.9° |
| C39 | O38 | C37 | H27 | 70.9° | 58.8° |
| O38 | C39 | H28 | H29 | 117.5° | 120.1° |
| O38 | C39 | C40 | H30 | 161.6° | 177.5° |
| O38 | C39 | C40 | H31 | 79.0° | 62.3° |
| C36 | C37 | O38 | H26 | 120.0° | 120.0° |
| C36 | C37 | O38 | H27 | 120.1° | 119.9° |
| C37 | C36 | C35 | H23 | 52.8° | 62.9° |
| C37 | C36 | H24 | H25 | 120.8° | 120.2° |
| C36 | C37 | H26 | H27 | 119.9° | 120.0° |
| O38 | C37 | C36 | H24 | 58.1° | 62.3° |
| O38 | C37 | C36 | H25 | 178.7° | 177.5° |
| O38 | C37 | H26 | H27 | 119.9° | 120.1° |
| C37 | O38 | C39 | H28 | 81.5° | 58.8° |
| C37 | O38 | C39 | H29 | 160.1° | 178.8° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 59.3° | 60.0° |
| H1 | C1 | C2 | H5 | 59.4° | NaN° |
| H2 | C1 | C2 | H4 | 179.4° | 180.0° |
| H2 | C1 | C2 | H5 | 60.7° | 60.0° |
| H3 | C1 | C2 | H4 | 60.7° | 60.0° |
| H3 | C1 | C2 | H5 | 179.4° | 60.0° |
| H7 | C12 | C13 | H34 | 0.0° | 0.0° |
| H8 | C16 | C17 | H10 | 66.1° | 60.9° |
| H8 | C16 | C17 | H11 | 53.9° | 59.3° |
| H9 | C16 | C17 | H10 | 53.7° | 59.0° |
| H9 | C16 | C17 | H11 | 173.7° | 179.2° |
| H10 | C17 | C18 | H12 | 68.6° | 57.7° |
| H11 | C17 | C18 | H12 | 171.4° | 177.8° |
| H12 | C18 | C19 | H13 | 69.1° | 57.8° |
| H12 | C18 | C19 | H14 | 170.8° | 177.8° |
| H13 | C19 | C20 | H35 | 55.0° | 59.1° |
| H13 | C19 | C20 | H36 | 64.8° | 60.8° |
| H14 | C19 | C20 | H35 | 175.1° | 179.2° |
| H14 | C19 | C20 | H36 | 55.3° | 59.3° |
| H15 | C23 | C22 | H38 | 176.7° | 178.5° |
| H15 | C23 | C22 | H39 | 57.0° | 58.4° |
| H16 | C23 | C22 | H38 | 56.8° | 58.5° |
| H16 | C23 | C22 | H39 | 62.9° | 61.6° |
| H17 | C27 | C26 | H44 | 172.0° | 58.5° |
| H17 | C27 | C26 | H45 | 52.3° | 178.4° |
| H18 | C27 | C26 | H44 | 52.7° | 61.6° |
| H18 | C27 | C26 | H45 | 66.9° | 58.4° |
| H19 | C30 | H20 | H21 | 120.0° | 120.0° |
| H23 | C35 | C36 | H24 | 172.5° | 177.2° |
| H23 | C35 | C36 | H25 | 66.9° | 57.0° |
| H23 | C35 | C40 | H30 | 56.9° | 57.1° |
| H23 | C35 | C40 | H31 | 176.4° | 177.2° |
| H23 | C35 | N34 | H46 | 170.1° | 145.2° |
| H24 | C36 | C37 | H26 | 61.9° | 57.7° |
| H24 | C36 | C37 | H27 | 178.2° | 177.7° |
| H25 | C36 | C37 | H26 | 58.7° | 62.5° |
| H25 | C36 | C37 | H27 | 61.3° | 57.5° |
| H28 | C39 | C40 | H30 | 40.8° | 57.6° |
| H28 | C39 | C40 | H31 | 160.2° | 177.7° |
| H29 | C39 | C40 | H30 | 77.6° | 62.4° |
| H29 | C39 | C40 | H31 | 41.8° | 57.7° |
| H41 | C25 | H42 | H43 | 120.0° | 120.0° |
